Pair your accounts.

Export articles to Mendeley

Get article recommendations from ACS based on references in your Mendeley library.

Pair your accounts.

Export articles to Mendeley

Get article recommendations from ACS based on references in your Mendeley library.

You’ve supercharged your research process with ACS and Mendeley!

STEP 1:
Click to create an ACS ID

Please note: If you switch to a different device, you may be asked to login again with only your ACS ID.

Please note: If you switch to a different device, you may be asked to login again with only your ACS ID.

Please note: If you switch to a different device, you may be asked to login again with only your ACS ID.

MENDELEY PAIRING EXPIRED
Your Mendeley pairing has expired. Please reconnect
ACS Publications. Most Trusted. Most Cited. Most Read
Water Adsorption on AQSOA-FAM-Z02 Beads
More

OR SEARCH CITATIONS

My Activity
Publications

Figure 1Loading Img
Download Hi-Res ImageDownload to MS-PowerPointCite This:J. Chem. Eng. Data 2022, 67, 7, 1723-1731
  • Open Access
Adsorption and Diffusion in Porous Materials

Water Adsorption on AQSOA-FAM-Z02 Beads
Click to copy article linkArticle link copied!

Open PDFSupporting Information (2)

Journal of Chemical & Engineering Data

Cite this: J. Chem. Eng. Data 2022, 67, 7, 1723–1731
Click to copy citationCitation copied!
https://doi.org/10.1021/acs.jced.1c00942
Published June 7, 2022

Copyright © 2022 The Authors. Published by American Chemical Society. This publication is licensed under

CC-BY 4.0 .

Abstract

Click to copy section linkSection link copied!
High Resolution Image
Download MS PowerPoint Slide

Water/AQSOA-FAM-Z02 adsorption equilibrium data have been measured using two gravimetric systems at 30 °C, 50 °C, and 70 °C in the range 1–90% relative humidity (RH). The data were found to conform to a type IV adsorption isotherm and have been correlated with the Rigid Adsorbent Lattice Fluid dual site model in the range 1–50% RH, which has been shown to reproduce the experimental results with an average absolute deviation in line with uncertainties measured from duplicate and replicate experiments. The adsorption and desorption data were found not to overlap even at 1% RH, resulting in an open hysteresis under the experimental conditions studied. The Rigid Adsorbent Lattice Fluid dual site model adapted to take into account a nondesorbing fraction of pores reproduced the experimental desorption curves providing an overall description of the system for use in adsorption process simulations. The isosteric heats of adsorption obtained show a complex concentration dependence with a local maximum (84.2 kJ mol–1) and minimum (55.8 kJ mol–1) which are values consistent with the ranges found in the literature.

This publication is licensed under

CC-BY 4.0 .
  • cc licence
  • by licence
Copyright © 2022 The Authors. Published by American Chemical Society

Subjects

what are subjects

SPECIAL ISSUE

This article is part of the Equilibrium Adsorption Data for Energy and Environmental Applications special issue.

1. Introduction

Click to copy section linkSection link copied!
Due to global warming, there is an ever-present need to increase the world’s renewable energy share. The current trends in electrification of heating and transportation along with deployment of carbon capture processes depict a future in which the renewable electricity generation will not be enough to match all the users. (1) Processes that turn low temperature waste heat into useful outputs are pivotal for mitigating the future energy shortage. (2) In the family of low-temperature-heat-driven technologies, temperature swing sorption (TSS) processes stand out in terms of temperature level required. Presently, TSS can suit a wide range of diverse applications such as desalination, (3) drying, (4) heating and cooling, (5) heat storage, (6) electricity generation, (7) and greenhouse gas capture. (8) In each application, the thermodynamic and kinetic properties of the nanoporous material are the foremost features that position the performance of the technology at viable values, as reflected by the intensive activity of development in recent years of advanced zeolites, (9) zeotypes, (10) silica gels, (11) activated carbons, (12) metal organic frameworks, (13) and composites. (14) However, only a small number of materials succeeded in the path to commercialization. Among commercial materials for heating and cooling applications, the Functional Adsorbent Material Zeolite (FAM Z) series from Mitsubishi Plastics Inc. are still unrivalled when paired with water due to the stepwise change of equilibrium uptake at precise values of the relative humidity. This investigation focused on AQSOA-FAM-Z02, based on the (silico)aluminophosphate SAPO-34 zeotype with CHA-structure, (15,16) hereafter referred to as AQSOA-Z02, with an adsorption isotherm that a number of studies (17−19) have approximated to type V at relative humidity <30% across a range of temperatures from ambient to ∼80 °C. The stepwise change in adsorbed water at low relative humidity sparked theoretical and experimental activities to assess its suitability for cooling, (20) heat pumping, (21) drying, (22) desiccation, (23) desalination, (24) and CO2 capture from humid air streams, (25) with improvements over benchmarking material in most of the cases. However, all studies neglected the strong hysteresis that the AQSOA-Z02/water pair shows (19) up to temperatures of 100 °C where it disappears, (17) leading often to incorrect conclusions, especially when they are from the only utilization of adsorption data. Through thermogravimetric analysis and density functional theory, Fan and Chakraborty (15) first, and Kayal et al. (18) afterward, hypothesized the presence of two adsorption modes. In the first mode, water binds externally to the AQSOA-Z02 system of cages, while in the second mode water vapor binds in the inner cages. The hysteresis of the AQSOA-Z02/water pair originates from the difference between the ways in which this second retained amount adsorbs and desorbs. In this work, we carried out an experimental study of the water sorption and desorption equilibrium on grains of commercial AQSOA-Z02 in two distinct gravimetric apparatuses. We also show how the rigid adsorbent lattice fluid (RALF) model (26) provides a comprehensive theoretical interpretation of the adsorption and desorption equilibrium data.

2. Experimental Methods and Materials

Click to copy section linkSection link copied!
The primary measurements were carried out using deionized water and a Quantachrome Aquadyne DVS dual gravimetric system with a resolution of 0.1 μg, equipped with a Rotronic HC2-SM humidity probe with an accuracy of ±0.8% RH.
The AQSOA-Z02 material was in the form of spherical beads, previously tested in our laboratory. (25) The bead density, 1081 kg m–3, was determined using a Quantachrome PoreMaster mercury porosimetry. The pore size distribution obtained is shown in Figure 1, and only pores below 100 nm were found to be present. From the mercury intrusion measurements the volume accessible was determined, 98 × 10–6 m3 kg–1. The skeletal density, 2256 kg m–3, was determined using a Quantachrome Ultrapyc 1200e, and the total bead pore volume was found to be 482 × 10–6 m3 kg–1.

Figure 1

Figure 1. Pore size distribution measured by mercury porosimetry.

High Resolution Image
Download MS PowerPoint Slide
The pore size distribution below 10 nm was determined using a Quantachrome Autosorb iQ2 apparatus. Figure S1 in the Supporting Information shows the argon adsorption isotherm at 87 K along with the pore size distribution obtained using the software that is provided with the Autosorb and a DFT match of the adsorption branch. The results indicate a cumulative pore volume of 298 × 10–6 m3 kg–1cc/g, 279 × 10–6 m3 kg–1cc/g of which are in the micropore range.
As the Aquadyne DVS does not allow in situ regeneration, a procedure similar to that of Hampson and Rees (27) was followed to determine the dry mass of the sample. Beads of AQSOA-Z02 were equilibrated in a glass bell-jar with a saturated solution of water and NaCl, which provides a stable 75–76 RH% at or near to room temperature. (28) After 48 h of equilibration five beads were placed in a Setaram Sensys-Evo TG-DSC, and the sample mass vs temperature curve was obtained from room temperature to 160 °C. The resulting weight loss of 25.4% was determined and used to calculate the dry mass of the beads taken from the glass bell-jar.
Prior to each set of experiments 44.44 mg (dry mass) of AQSOA-Z02 beads (six in total) were regenerated in helium flow following the sequence: from room temperature 1 °C min–1 up to 110 °C; temperature held for 1 h; further temperature ramp of 1 °C min–1 up to 160 °C; temperature held for at least 8 h. After performing the zeroing and calibration of the two microbalances, the sample was weighed rapidly on a Mettler Toledo XS205 balance (guaranteed repeatability of ±0.05 mg) to measure the sample weight, which was then converted to dry mass based on the TGA measurement. Even with rapid cooling and transfer of sample to the Aquadyne DVS, some water uptake was present before the start of the isotherm measurements (approximately 3% in weight). The beads were then placed, three each, on the balances of the Aquadyne apparatus, and the cell was purged for 30 min prior to commencing the first step of the adsorption measurements. As the Aquadyne is a flow system, it is not possible to achieve a purely dry gas feed, and as a result the observed mass of a hydrophilic material will slowly increase even with a nominal dry gas. The data reported are the average of the two measurements at 30 and 50 °C along with the uncertainty at each point. At 70 °C one of the balances could not operate reliably and therefore only one measurement was possible. Figure 2 shows the dynamic response of one of the balances at 50 °C. The trends are similar at the other temperatures and the corresponding figures are included in the Supporting Information. Desorption is clearly slower than adsorption and longer equilibration times are needed at the lower concentrations.

Figure 2

Figure 2. Dynamic response of the Aquadyne system at 50 °C.

High Resolution Image
Download MS PowerPoint Slide
An additional set of adsorption measurements were obtained using a dynamic vapor sorption Adventure system (DVS Adventure) from Surface Measurement Systems, which has been described in detail elsewhere. (29,30) These measurements were intended for a kinetic study and only one bead (8.15 mg dry mass) was used. Only the data where equilibration was achieved are included in order to provide a further comparison of results from two instruments, primarily to show similarity between the results at 50 and 70 °C where the additional result on the Aquadyne system was not available.

3. Isotherm Model

Click to copy section linkSection link copied!
Water adsorption on AQSOA-Z02 is complex, and data reported in the literature tend to indicate that the isotherms have a type IV shape in the IUPAC classification. (31) The most comprehensive set of data for this system was produced by Goldsworthy (17) who correlated the data using a statistical thermodynamic isotherm modified to allow varying the site interaction energy arbitrarily. (32,33) To achieve a good match, 11 distinct site energies were used with a total of 13 adjustable parameters. To derive isosteric heats, a separate spline-fit was performed on the data; therefore, two formulations for this quantity are available. While such an approach provided a fairly accurate regression of the data, here the intent was to obtain a good match to the data with the Rigid Adsorbent Lattice Fluid (RALF) model, (26) which has been shown to represent correctly type V stepped isotherms (34) as well as stepped isotherms resulting from structural changes upon adsorption. (35)
As this system is known to exhibit an initially favorable isotherm followed by a step (type IV) a RALF dual site (RALF-DS) model was considered. This was found to be consistent with the observation that the pore volume accessible to helium but not to mercury was 384 × 10–6 m3 kg–1 while the micropore volume for this material was found to be 279 × 10–6 m3 kg–1 in close agreement with the reported value of 277 × 10–6 m3 kg–1. (18) The argon measurement at 87 K indicates that the sample used includes a mesopore volume of 19 × 10–6 m3 kg–1. The substantial difference between the pore volume accessible to argon and helium would indicate that some porosity has to be present with very small pores or that large pores exist inside the microporous structure and this could explain the presence of a hysteresis in desorption even at low %RH. (36) Given the uncertainty in the actual pore volume available for adsorption, also in view of the fact that water is smaller than argon and can therefore potentially access the same volume as helium, this quantity was considered to be an adjustable value, Vm, varying between 270 × 10–6 and 400 × 10–6 m3 kg–1.
The two types of site are independent of one another, and as a result the adsorbed amounts can be determined applying the equilibrium relationship to each site. Table 1 provides a summary of the equations needed. (26)
Table 1. RALF Calculation Sequence for a Single Site and Adsorbate
sequenceeq i = 1; j and k include the solid, therefore sums are up to 2
1specify parameters: Ti*; Pi*; ρi*; Mwi; TS*; PS*; ρS*; ξiA and κij
2specify variables: T; P; ni; ms
3set: ; ; ; ;
4mi = niMwi; mT = ∑jmj ; ; ; ;
5 with and κkk = 0
6; ; ; ; and
7; ; ;
The physical parameters of the Sanchez–Lacombe equation of state for water are TH2O* = 670 K; PH2O* = 2400 MPa; ρH2O* = 1050 kg m–3. (37) This leaves for each site the need to specify TS*; PS*; ρS* as well as the density of the solid ρS. For the single site, RALF ρS* can be taken as the skeletal density of the material. In order to keep the adjustable parameters to a minimum, ρSa* = ρSb* = ρS* = 2256 kg m–3 was chosen, as the skeletal density of the sites should be the same or nearly the same for a given material. ρS can be obtained from the additional knowledge of the volume, Vm.
In a RALF-DS model it is necessary to specify the mass fraction of site a, wa, and the fraction of pore volume corresponding to site a, fva. Then the density of the solid for each site can be calculated from
(1)
The parameter ξH2O represents the extent to which a confined molecule cannot reach its close-packed density. As the pore volume has been allowed to vary and given that water is a small molecule for both sites ξH2O = 0 was set.
With the constraints outlined above, three structural parameters, wa, fva, and Vm, and six site parameters, TSa*, PSa*, TSb*, PSb*, κH2Oa, and κH2Ob, remain to be determined. It is useful to point out that, for comparison, a multisite Langmuir model would require three parameters for each site and could not describe a type IV isotherm. Assuming an ideal gas phase and mS = 1 kg, the adsorbed amount, nH2O can be obtained solving for each site
(2)
and
(3)
The isosteric heat at zero coverage for each site can be obtained from (26)
(4)
(5)
which gives the following expression for RALF-DS
(6)
Finally, given that the vapor phase can be assumed to be ideal, the isosteric heat as a function of concentration can be obtained by numerical differentiation using
(7)
solving eq 3 for the pressure at a given total amount adsorbed.

4. Results and Discussion

Click to copy section linkSection link copied!
In the Aquadyne DVS system the two sample holders are approximately 50 mm apart. Given that the balances are identical, the observed variability in the measured amounts can be taken as an estimate of the point uncertainty, including any internal temperature and concentration gradients. As a result Table 2 reports the average measured isotherms along with the point uncertainties where measurements with both balances were performed. There was excellent reproducibility at 30 °C, with an average uncertainty of ±0.0022 kg kg–1. At 50 °C this increased to ±0.0074 kg kg–1, consistent with the fact that it is more difficult to control tightly the instrument set points (balance head, sample cell, and evaporator temperatures) further from room temperature. The comparison between the two instruments at 70 °C is similar to that at 50 °C and would suggest a similar uncertainty at this temperature. An uncertainty analysis based on the instrument’s known parameters is included in the Supporting Information along with results in Table S3.Figure 3 shows all the data measured where equilibrium conditions were achieved. The Supporting Information includes Table S2 with all the data obtained from the Aquadyne DVS. As with all automated devices, the Aquadyne DVS system comes with a software that determines when equilibrium has been reached and especially at the lower concentrations there was the need to extend the minimum time for each step to be closer to equilibration.
Table 2. Water/AQSOA-Z02 Adsorption and Desorption Data at 30 °C, 50 °C, and 70 °C
30 °C50 °C70 °C
%RHm kg kg–1±kg kg–1%RHm kg kg–1±kg kg–1%RHm kg kg–1
20.12450.005520.0880.009520.075
40.15300.001040.1100.009040.093
60.1910 60.1330.008560.109
80.24850.000580.1640.008080.125
100.25530.0033200.2350.0060100.143
200.27030.0024300.2460.0060200.217
300.28000.0014500.2630.0065300.231
500.29500.0019700.2780.0070500.247
700.31080.0022900.2990.0090700.264
900.33180.0025700.2890.0075900.283
700.32200.0019500.2740.0060700.272
500.30550.0018300.2600.0060500.258
300.29150.0022200.2520.0060300.245
200.28280.0023100.2340.0060200.235
100.26780.002360.2090.0060100.206
7.50.26000.002030.1320.008560.137
50.24900.002010.0980.010030.104
60.25850.0015   10.084
30.22700.0030     
10.1500      
Adventure
1.90.120 0.680.095 2.50.098
5.00.170 2.160.112 4.70.117
7.00.214 4.390.131 6.90.133
9.90.237 6.630.148 9.10.148
20.10.271 8.740.169 18.30.210
30.40.281 15.260.213   
50.10.294      
59.70.299      

Figure 3

Figure 3. Experimental data at 30 °C (a); 50 °C (b); and 70 °C (c). These include replicate runs and values from the two balances where available. Lines are to guide the eye based on the average value measured using the Aquadyne DVS.

High Resolution Image
Download MS PowerPoint Slide
Desorption was generally much slower than adsorption, but even allowing for extended equilibration times it was not possible to determine where the desorption branch rejoined the adsorption isotherm. The fact that this may be below RH% 1 would indicate that part of the porosity in the material is encapsulated by microporous material. As a result the desorption branch is affected by pore connectivity and a more sophisticated model taking this into account should be developed, but this is beyond the scope of this contribution as the aim is to obtain a model that can be used in adsorption process simulations which can be extended reliably to multicomponent systems.
As the adsorption and desorption data were different, the method adopted to correlate the data was to consider first the adsorption isotherms given that these data would allow direct comparisons with results reported in the literature. Regression of the data with the RALF-DS model was applied only to the adsorption data up to RH% 50 as above this value would require an additional site to account for additional condensation in the mesopores. As the number of parameters was significant, a nonlinear regression was carried out using MINUIT (38) by fixing Vm and allowing the software to determine the optimal values of the remaining eight parameters. An overall minimum was found for Vm = 400 × 10–6 m3 kg–1 and the parameters in Table 3. The average absolute deviation on 23 data points was 0.0054 kg kg–1, which is within the range of average uncertainty in the data of 0.0022 and 0.0074 kg kg–1 at 30 and 50 °C, respectively. The model reproduces the data with an average absolute percent deviation of 3.2%. Values reported include also the parameter uncertainties determined by MINUIT using a 95% confidence interval. The uncertainties for site b (type I) are larger and PSb* had a strong correlation with κH2Ob, therefore the second parameter was fixed to zero in order to arrive at a final set of reliable parameters. All the remaining model parameters are fairly well-defined indicating that there is enough information in the experimental data to characterize the parameters for both sites. Site a was the type V site as can be seen in Figure 4.
Table 3. RALF-DS Parameters and 95% Confidence Interval Uncertainties
parametervalue± uncertainty
wa, –0.5060.030
fva, –0.4910.0214
TSa*, K4403
PSa*, MPa237232
TSb*, K49015
PSb*, MPa6697924
κH2Oa, –0.02040.0002
κH2Ob, –0–

Figure 4

Figure 4. Semilog (left) and linear (right) comparison of RALF-DS and experimental average adsorption data (squares) at 30 °C, 50 °C, and 70 °C. Empty squares not included in the regression. Dashed lines correspond to the statistical isotherm of Goldsworthy. (17) The linear plot includes the separate contributions of site a (full line) and site b (dash-dot line) at 70 °C.

High Resolution Image
Download MS PowerPoint Slide
Figure 4 shows the RALF-DS isotherms along with the isotherms from Goldsworthy. (17) From this comparison it is clear that the steps in the isotherms are at the same RH% but there are significant differences. In particular the low concentration uptake appears higher, while the overall capacity is lower. These differences can be attributed to the fact that Goldsworthy (17) performed experiments using the original powder of the material and not formed beads. Both Teo et al. (19) and Kayal et al. (18) report maximum values close to or slightly below 0.30 kg kg–1, but it is not clear if they used pure powder or beaded materials.
Figure 5 shows the comparison of the isosteric heat of adsorption at 323.15 K obtained from the RALF-DS model in comparison with the two approaches used by Goldsworthy. (17) The zero-coverage isosteric heat was found to be 73.1 kJ mol–1. The trend in concentration calculated from the RALF-DS model shows the filling of site b at low adsorbed amounts, resulting in an increasing trend corresponding to the additional water–water interactions. Once the type V filling of site a becomes significant the isosteric heat drops to a minimum followed again by an increasing trend corresponding to additional water–water interactions.

Figure 5

Figure 5. Comparison of isosteric heats obtained from the RALF-DS model and the statistical isotherm and spline fit of the data by Goldsworthy. (17)

High Resolution Image
Download MS PowerPoint Slide
The statistical isotherm used by Goldsworthy (17) assumes no interactions between adsorbed molecules and as a result starts with a zero coverage value of 70.2 kJ mol–1, which corresponds to the first site, remains approximately constant up to 0.03 kg kg–1 and abruptly drops to approximately 58.4 kJ mol–1. The second method based on spline fits appears to give values of the isosteric heat that are too high below 0.03 kg kg–1, but then gives similar values to the first approach. Independent measurements of the zero coverage isosteric heat from Fan and Chakraborty, (15) 55.2 kJ mol–1, provide a validation to the results obtained from the RALF-DS fit. The local maximum and minimum, respectively 84.2 kJ mol–1 and 55.8 kJ mol–1, are in excellent agreement with the limiting values of Goldsworthy (17) and provide further confirmation that the second site interactions are of a similar nature, and the observed deviations are most likely due to the differences due to the use of beaded material and not powder.
As discussed by Verbraeken and Brandani (34) the location of the step in the RALF representation of a type V isotherm (site a) depends strongly on the value of the parameter κH2Oa. Therefore to represent the desorption branch it is possible to use this parameter to shift the step to a lower pressure. While this is a purely empirical approximation, it does retain all the main interaction terms and provides a straightforward method to calculate both adsorption and desorption curves. From the observation that the desorption curves never join the adsorption ones, a further assumption is made that 25% of site a does not desorb within the pressure range used in the experiments. The desorption branch is therefore calculated using
(8)
A value of was found to provide a good representation of the desorption branch at all temperatures. Note that with the switch in the value of the parameter there is a small difference between the value of nH2Oa and nH2Oad at the end of the adsorption step and the start of desorption that is compensated by .
Figure 6 shows the final comparison between adsorption and desorption data along with the calculated RALF-DS curves. This is plotted versus pressure to avoid overlaps between the adsorption and desorption branches at the different temperatures. Considering the complexity of this system the model agrees well with all the data and can be used for process calculations involving both adsorption and desorption steps.

Figure 6

Figure 6. Comparison of RALF-DS adsorption (full line) and desorption (dashed line) curves and experimental average adsorption (squares) and desorption (circles) at 30 °C, 50 °C, and 70 °C.

High Resolution Image
Download MS PowerPoint Slide

Conclusions

Click to copy section linkSection link copied!
Water/AQSOA-Z02 adsorption equilibrium data have been measured using two gravimetric systems at 30 °C, 50 °C, and 70 °C in the range 1–90% RH. The data were found to conform to a type IV adsorption isotherm and have been correlated with the RALF-DS model in the range 1–50% RH, which has been shown to reproduce the experimental results with an average absolute deviation in line with uncertainties measured from experiments in the Aquadyne DVS dual balance system. The two sites of the RALF-DS model correspond to type I and type V isotherms, which when combined lead to the observed type IV behavior.
The adsorption and desorption data were found not to overlap even at 1% RH, suggesting that the material may be composed of a mixture of micropores and mesopores, some of which are encapsulated by the microporous phase. An empirical modification of the RALF-DS model with 25% of the pores of the type V site occluded reproduced the experimental desorption curves with the use of only one model parameter.
The isosteric heats of adsorption obtained from the RALF-DS model show a complex concentration dependence with a local maximum (84.2 kJ mol–1) and minimum (55.8 kJ mol–1) which are values consistent with the range of values found in the literature. This was seen to confirm that the base material for different batches of AQSOA-Z02 is consistent, but there appears to be variability in the mesoporosity of the material as a result of the difference between powder and beaded forms. This combined with the very interesting hysteresis observed with water would suggest the need to investigate the structure of this material using adsorption of argon at cryogenic conditions, which could provide further insight into the properties of the beaded material.

Supporting Information

Click to copy section linkSection link copied!

The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acs.jced.1c00942.

  • Ar isotherm at 87 K and corresponding pore size distribution; dynamic responses of the Aquadyne system at 30 and 70 °C; detailed uncertainty analysis; tabulated values of data not included in Table 3; summary table of the isotherm data with uncertainties included (PDF)

  • Isotherm data (ZIP)

Terms & Conditions

Most electronic Supporting Information files are available without a subscription to ACS Web Editions. Such files may be downloaded by article for research use (if there is a public use license linked to the relevant article, that license may permit other uses). Permission may be obtained from ACS for other uses through requests via the RightsLink permission system: http://pubs.acs.org/page/copyright/permissions.html.

Author Information

Click to copy section linkSection link copied!
  • Corresponding Author
  • Authors
    • Enzo Mangano - School of Engineering, University of Edinburgh, Edinburgh, EH9 3FB, U.K.
    • Giulio Santori - School of Engineering, University of Edinburgh, Edinburgh, EH9 3FB, U.K.;  Orcidhttps://orcid.org/0000-0003-2156-6647
  • Notes
    The authors declare no competing financial interest.

Acknowledgments

Click to copy section linkSection link copied!

For the purpose of open access, the authors have applied a Creative Commons Attribution (CC BY) licence to any Author Accepted Manuscript version arising from this submission.

Notation

Click to copy section linkSection link copied!
fva

fraction of pore volume in site a (−)

K

dimensionless Henry law constant (−)

ni

adsorbed amount (mol kg–1)

nH2OT

total water adsorbed (mol kg–1)

nH2OTd

total water adsorbed in desorption, eq 8 (mol kg–1)

mj

mass of species j (kg)

ms

mass of solid (kg)

Mwi

molecular mass of species i (kg mol–1)

P

pressure (Pa)

Pmax

maximum pressure in adsorption (Pa)

P̃

reduced pressure (−)

P*

characteristic pressure of the mixture (Pa)

Pi*

characteristic pressure of component i pure (Pa)

PiA*

characteristic pressure of component i in the adsorbed phase (Pa)

PS*

characteristic pressure of the solid (Pa)

Pij*

pair characteristic pressure

r

average number of mers in a molecule (−)

rj

number of mers in molecule j in the mixture (−)

rj0

number of mers in molecule j pure (−)

R

ideal gas constant (J mol–1 K–1)

T

temperature (K)

T̃

reduced temperature (−)

T*

characteristic temperature of the mixture (K)

Ti*

characteristic temperature of component i pure (K)

TS*

characteristic temperature of the solid (K)

ṽ

reduced molar volume (−)

v*

average close-packed volume of mers in a mixture (m3 mer-mol–1)

vj*

close-packed volume of mers molecule j pure (m3 mer-mol–1)

vjA*

close-packed volume of mers molecule j in the adsorbed phase (m3 mer-mol–1)

Vm

specific volume of the pores (m3 kg–1)

wa

mass fraction of site a (−)

z

compressibility factor (−)

zEoS

compressibility factor derived from the Helmholtz energy (−)

Greek letters
δ

difference between adsorbed amounts of site a at the start of desorption and the end of the adsorption step, nH2Oad (Pmax) – nH2Oa (Pmax) (mol kg–1)

ΔH0

adsorption enthalpy at zero coverage (J mol–1)

ΔU0

adsorption energy at zero coverage (J mol–1)

ϕj

volume fraction in the lattice occupied by species j at close-packing (−)

ϕs

volume fraction in the lattice occupied by the solid at close-packing (−)

κjk

pair interaction coefficient (−)

μiR

residual chemical potential of species i in the adsorbed phase (J mol–1)

ρ̃

reduced mass density (−)

ρ*

average close-packed mass density in a mixture (kg m–3)

ρj*

close-packed mass density of molecule j (kg m–3)

ρjA*

close-packed mass density of molecule j in the adsorbed phase (kg m–3)

ρS

mass density of the solid (kg m–3)

ξiA

volume correction due to confinement constraints (−)

References

Click to copy section linkSection link copied!

This article references 38 other publications.

  1. 1
    Chatterjee, S.; Huang, K. W. Unrealistic Energy and Materials Requirement for Direct Air Capture in Deep Mitigation Pathways. Nat. Commun. 2020, 11, 1– 3,  DOI: 10.1038/s41467-020-17203-7
    Google Scholar
    There is no corresponding record for this reference.
  2. 2
    Luberti, M.; Gowans, R.; Finn, P.; Santori, G. An Estimate of the Ultralow Waste Heat Available in the European Union. Energy 2022, 238, 121967,  DOI: 10.1016/j.energy.2021.121967
    Google Scholar
    There is no corresponding record for this reference.
  3. 3
    Olkis, C.; Brandani, S.; Santori, G. Cycle and Performance Analysis of a Small-Scale Adsorption Heat Transformer for Desalination and Cooling Applications. Chem. Eng. J. 2019, 378, 122104,  DOI: 10.1016/j.cej.2019.122104
    Google Scholar
    3
    Cycle and performance analysis of a small-scale adsorption heat transformer for desalination and cooling applications
    Olkis, C.; Brandani, S.; Santori, G.
    Chemical Engineering Journal (Amsterdam, Netherlands) (2019), 378 (), 122104CODEN: CMEJAJ; ISSN:1385-8947. (Elsevier B.V.)
    Adsorption heat transformers use low-grade heat to produce potable water and provide cooling at the same time. In this study, we present a comprehensive performance anal. for an exptl. system featuring the world's smallest design using silica gel, which is commonly used as benchmarking material. We analyze the system performance in a thorough cycle anal. that quantifies the influence of isosteric heating times and cycle times onto the adsorption working capacity. In addn., the performance is assessed through common performance indicators for desalination as well as cooling. We found that the system achieved a Specific Daily Water Prodn. of up to 10.9 kgw/(kgsgd) at 80 °C. The combination of cooling and desalination is discussed highlighting advantages as well as disadvantages, which are often neglected. The results show that silica gel has a high performance in desalination, which decreases by more than 60% if cooling is desired as well.
    >> More from SciFinder ®
    https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC1MXhtlalsrvE&md5=eb231f340240992ffe54d3f045178177
  4. 4
    Askalany, A. A.; Freni, A.; Santori, G. Supported Ionic Liquid Water Sorbent for High Throughput Desalination and Drying. Desalination 2019, 452, 258– 264,  DOI: 10.1016/j.desal.2018.11.002
    Google Scholar
    4
    Supported ionic liquid water sorbent for high throughput desalination and drying
    Askalany, Ahmed A.; Freni, Angelo; Santori, Giulio
    Desalination (2019), 452 (), 258-264CODEN: DSLNAH; ISSN:0011-9164. (Elsevier B.V.)
    The composite material 1-ethyl-3-methylimidazolium methanesulfonate ionic liq. in Syloid AL-1FP silica shows unprecedented water vapor sorption equil. properties. Equil. data were recorded at different loads of ionic liq. in the silica support (from 1.8%w to 60%w). At loadings >1.8%w, all the composites show type 3 isotherm, therefore conserving the vapor-liq. equil. of the bulk ionic liq./water binary system but with increased dependence between temp. and water adsorbed. This feature makes this composite material particularly suitable for thermally-driven technologies. The composite 60%w 1-ethyl-3-methylimidazolium methanesulfonate ionic liq. in 40%w Syloid AL-1FP silica shifts the performance of sorption desalination and drying processes at the unprecedented working capacity of 0.46 gwater/gsorbent (desalination) and 0.82 gwater/gsorbent (drying).
    >> More from SciFinder ®
    https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC1cXisVSntrrL&md5=84e186392e1eadc91352d686b13d02e8
  5. 5
    Santori, G.; Di Santis, C. Optimal Fluids for Adsorptive Cooling and Heating. Sustain. Mater. Technol. 2017, 12, 52– 61,  DOI: 10.1016/j.susmat.2017.04.005
    Google Scholar
    There is no corresponding record for this reference.
  6. 6
    Zhang, Y.; Wang, R. Sorption Thermal Energy Storage: Concept, Process, Applications and Perspectives. Energy Storage Mater. 2020, 27, 352– 369,  DOI: 10.1016/j.ensm.2020.02.024
    Google Scholar
    There is no corresponding record for this reference.
  7. 7
    Olkis, C.; Brandani, S.; Santori, G. Adsorption Reverse Electrodialysis Driven by Power Plant Waste Heat to Generate Electricity and Provide Cooling. Int. J. Energy Res. 2021, 45, 1971– 1987,  DOI: 10.1002/er.5891
    Google Scholar
    7
    Adsorption reverse electrodialysis driven by power plant waste heat to generate electricity and provide cooling
    Olkis, Christopher; Brandani, Stefano; Santori, Giulio
    International Journal of Energy Research (2021), 45 (2), 1971-1987CODEN: IJERDN; ISSN:0363-907X. (John Wiley & Sons Ltd.)
    Steam power plants release more than half of the primary energy input as ultra low temp. heat below 40 C into the environment causing thermal pollution. The emitted heat has a very low exergy content making it challenging to use as heat input by another process. Adsorption desalination combined with reverse electrodialysis can be powered by this heat and convert it into electricity. Thus, the system can mitigate thermal pollution and generate electricity at the same time. This study combines a validated reverse electrodialysis model with a dynamic adsorption desalination model that is validated with exptl. data within this work. The expts. were conducted using a small-scale adsorption desalinator and silica gel proving the feasibility of the regeneration at heat source temps. as low as 40 C. The simulations of the integrated system analyze different heat integration scenarios showing exergy efficiencies up to 15% and energy efficiencies up to 0.55%. Hence, the system could generate 65 kW electricity from a 20 MW heat source considering pumping losses.
    >> More from SciFinder ®
    https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BB3MXhslKhtro%253D&md5=82c834b135ca0efc7edce3813a8fe7cc
  8. 8
    Santori, G.; Charalambous, C.; Ferrari, M. C.; Brandani, S. Adsorption Artificial Tree for Atmospheric Carbon Dioxide Capture, Purification and Compression. Energy 2018, 162, 1158– 1168,  DOI: 10.1016/j.energy.2018.08.090
    Google Scholar
    8
    Adsorption artificial tree for atmospheric carbon dioxide capture, purification and compression
    Santori, Giulio; Charalambous, Charithea; Ferrari, Maria-Chiara; Brandani, Stefano
    Energy (Oxford, United Kingdom) (2018), 162 (), 1158-1168CODEN: ENEYDS; ISSN:0360-5442. (Elsevier Ltd.)
    The current concn. of carbon dioxide in the atm. demands for development of neg. emission solns. such as direct carbon dioxide removal from the atm. (air capture). Many well-established processes can remove carbon dioxide from the atm. but the real technol. challenge consists of concg. and compressing carbon dioxide at the conditions for long term geol. storage, with efficient use of non-fossil energy sources. A thermally-driven, neg.-carbon adsorption process for capture, purifn. and compression of carbon dioxide from air is proposed. The process is based on a series of batch adsorption compressors of decreasing size to deliver a compressed carbon dioxide stream to a final storage. Thermodn. anal. of the process shows that, by exploiting the equil. properties of com. and non-com. materials, carbon dioxide can be produced at specifications appropriate for geol. storage. By operating the process with zeolite 13X at regeneration temp. of 95 °C, a final storage vessel can be pressurized with carbon dioxide at purities >0.95 mol fraction and specific energy consumption <2.2 MJth mol-1CO2. Tailored materials provide a step-change in performance. When the process operates with zeolite NaETS-4, carbon dioxide can be purified at values >0.97 mol fraction.
    >> More from SciFinder ®
    https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC1cXhsFOhsL%252FM&md5=b1470a7ec59f3ecc42c0b8d14f6431d4
  9. 9
    Ristić, A.; Fischer, F.; Hauer, A.; Zabukovec Logar, N. Improved Performance of Binder-Free Zeolite Y for Low-Temperature Sorption Heat Storage. J. Mater. Chem. A 2018, 6, 11521– 11530,  DOI: 10.1039/C8TA00827B
    Google Scholar
    9
    Improved performance of binder-free zeolite Y for low-temperature sorption heat storage
    Ristic, Alenka; Fischer, Fabian; Hauer, Andreas; Zabukovec Logar, Natasa
    Journal of Materials Chemistry A: Materials for Energy and Sustainability (2018), 6 (24), 11521-11530CODEN: JMCAET; ISSN:2050-7496. (Royal Society of Chemistry)
    The sustainable generation of energy and low-energy consuming technologies are two main approaches to combat climate change and reduce carbon dioxide emissions. Sorption heat storage is part of the second approach. Therefore, adsorbents that achieve high energy storage d. under the working conditions of the storage application are required. In this study, the hydrophilic properties of a granulated binder-free zeolite NaY were tailored with the aim of increasing its performance at a desorption temp. of 140 °C for mobile sorption heat storage. Top-down approaches, such as chem. treatment with the chelating agent H4EDTA, treatment with the inorg. acid HCl and sequential ion exchange with acid treatment, were used in order to decrease the desorption temp. and optimize the low-temp. heat storage d. All the modified samples showed a decrease in the desorption temp. from 10 to 30 °C compared to the parent sample; only the desorption temp. of the acid-treated Mg-exchanged NaY sample increased. The effect of different treatments on the structural properties of the materials, including the generation of framework defects and mesoporosity was detd. The energy storage densities of the NaY and all the modified samples are considerably higher in comparison to the currently used adsorbent (NaMSX) in mobile sorption heat storage for low-temp. industrial waste heat recovery.
    >> More from SciFinder ®
    https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC1cXhtVSkurrJ&md5=bee5189738f4428a3d985152d4b9b508
  10. 10
    Krajnc, A.; Varlec, J.; Mazaj, M.; Ristić, A.; Logar, N. Z.; Mali, G. Superior Performance of Microporous Aluminophosphate with LTA Topology in Solar-Energy Storage and Heat Reallocation. Adv. Energy Mater. 2017, 7, 1601815,  DOI: 10.1002/aenm.201601815
    Google Scholar
    There is no corresponding record for this reference.
  11. 11
    Sapienza, A.; Velte, A.; Girnik, I.; Frazzica, A.; Füldner, G.; Schnabel, L.; Aristov, Y. Water - Silica Siogel” Working Pair for Adsorption Chillers: Adsorption Equilibrium and Dynamics. Renew. Energy 2017, 110, 40– 46,  DOI: 10.1016/j.renene.2016.09.065
    Google Scholar
    11
    "Water - Silica Siogel" working pair for adsorption chillers: Adsorption equilibrium and dynamics
    Sapienza, Alessio; Velte, Andreas; Girnik, Ilya; Frazzica, Andrea; Fuldner, Gerrit; Schnabel, Lena; Aristov, Yuri
    Renewable Energy (2017), 110 (), 40-46CODEN: RNENE3; ISSN:0960-1481. (Elsevier Ltd.)
    The aim of this paper is to study the equil. and dynamics of water adsorption on a com. silica gel Siogel. This adsorbent has recently been suggested and tested for adsorptive transformation and storage of low temp. heat. The original data on the water vapor equil. and dynamics are compared with those earlier reported for the Fuji silica RD. This database can be used for theor. anal., math. modeling and evaluation of adsorptive cycles based on the working pair "water - Siogel" and driven by heat from renewable heat sources.
    >> More from SciFinder ®
    https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC28Xhs1SrtbfO&md5=1ad34227110006c7df20611afb93a996
  12. 12
    Palash, M. L.; Rupam, T. H.; Pal, A.; Chakraborty, A.; Saha, B. B.; Wang, R. Design Principles for Synthesizing High Grade Activated Carbons for Adsorption Heat Pumps. Chem. Eng. J. Adv. 2021, 6, 100086,  DOI: 10.1016/j.ceja.2021.100086
    Google Scholar
    There is no corresponding record for this reference.
  13. 13
    Liu, X.; Wang, X.; Kapteijn, F. Water and Metal-Organic Frameworks: From Interaction toward Utilization. Chem. Rev. 2020, 120, 8303– 8377,  DOI: 10.1021/acs.chemrev.9b00746
    Google Scholar
    13
    Water and Metal-Organic Frameworks: From Interaction toward Utilization
    Liu, Xinlei; Wang, Xuerui; Kapteijn, Freek
    Chemical Reviews (Washington, DC, United States) (2020), 120 (16), 8303-8377CODEN: CHREAY; ISSN:0009-2665. (American Chemical Society)
    A review. The steep stepwise uptake of water vapor and easy release at low relative pressures and moderate temps. together with high working capacities make metal-org. frameworks (MOFs) attractive, promising materials for energy efficient applications in adsorption devices for humidity control (evapn. and condensation processes) and heat reallocation (heating and cooling) by utilizing water as benign sorptive and low-grade renewable or waste heat. Emerging MOF-based process applications covered are desiccation, heat pumps/chillers, water harvesting, air conditioning, and desalination. Governing parameters of the intrinsic sorption properties and stability under humid conditions and cyclic operation are identified. Transport of mass and heat in MOF structures, at least as important, is still an underexposed topic. Essential engineering elements of operation and implementation are presented. An update on stability of MOFs in water vapor and liq. systems is provided, and a suite of 18 MOFs are identified for selective use in heat pumps and chillers, while several can be used for air conditioning, water harvesting, and desalination. Most applications with MOFs are still in an exploratory state. An outlook is given for further R and D to realize these applications, providing essential kinetic parameters, performing smart engineering in the design of systems, and conceptual process designs to benchmark them against existing technologies. A concerted effort bridging chem., materials science, and engineering is required.
    >> More from SciFinder ®
    https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BB3cXptlCntb0%253D&md5=ef1025a8a5fbbc3a3723d450f02337d2
  14. 14
    Frazzica, A.; Brancato, V.; Caprì, A.; Cannilla, C.; Gordeeva, L. G.; Aristov, Y. I. Development of “Salt in Porous Matrix” Composites Based on LiCl for Sorption Thermal Energy Storage. Energy 2020, 208, 118338,  DOI: 10.1016/j.energy.2020.118338
    Google Scholar
    14
    Development of salt in porous matrix composites based on LiCl for sorption thermal energy storage
    Frazzica, A.; Brancato, V.; Capri, A.; Cannilla, C.; Gordeeva, L. G.; Aristov, Y. I.
    Energy (Oxford, United Kingdom) (2020), 208 (), 118338CODEN: ENEYDS; ISSN:0360-5442. (Elsevier Ltd.)
    In this study, the development and characterization of composite sorbents based on com. mesoporous silica gels and LiCl for seasonal thermal energy storage (STES) applications is described. The reported activity aims at validating the operation of sorption STES in various cold climatic zones in Europe. Accordingly, the ref. boundary conditions were identified by means of a climatic anal. in two climatic zones, namely, Central and Northern Europe. The acquired mesoporous silica gels were characterized, to evaluate the textural properties, i.e. specific pore vol. and pore size, needed to define the optimal salt soln. compns. to maximize the amt. of salt embedded. The synthesized samples were firstly investigated using SEM and nitrogen physisorption that demonstrate the presence of a small quantity of salt over the external surface rather than inside the pores. A hydrothermal treatment, based on slow adsorption followed by a slow desorption step, was defined to solve this issue. Finally, starting from the measured equil. isobars, the expected STES d. at material level was evaluated, obtaining values as high as 1080 J/g under cold Northern European climatic condition, corresponding to 650 MJ/m3.
    >> More from SciFinder ®
    https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BB3cXhsVSmtbvM&md5=240b192511589b22097ff8ae31ad4b75
  15. 15
    Fan, W.; Chakraborty, A. Isosteric Heat of Adsorption at Zero Coverage for AQSOA-Z01/Z02/Z05 Zeolites and Water Systems. Microporous Mesoporous Mater. 2018, 260, 201– 207,  DOI: 10.1016/j.micromeso.2017.10.039
    Google Scholar
    15
    Isosteric heat of adsorption at zero coverage for AQSOA-Z01/Z02/Z05 zeolites and water systems
    Fan, Wu; Chakraborty, Anutosh
    Microporous and Mesoporous Materials (2018), 260 (), 201-207CODEN: MIMMFJ; ISSN:1387-1811. (Elsevier B.V.)
    This paper presents the evaluation of isosteric heats of adsorption at zero coverage for AQSOA type zeolites and water systems. The adsorption process is identified by favorable adsorptive sites with larger interaction potentials between water mols. and the mol. structure of AFI and CHA type zeolites, and a cylindrical Lennard-Jones potential model is applied to calc. the external wall potential. The isosteric heat of adsorption at zero coverage (Qost) is calcd. employing Boltzmann weighted potential with the multiple layers of zeolite-structure channel. The most favorable adsorptive sites are identified (i) at the surface of the zeolite pore for CHA type zeolite such as AQSOA-Z02 and (ii) inside the zeolite pore for AFI (type AQSOA-Z01 and Z05) zeolites. The simulated Qost values are compared with (i) exptl. measured isosteric heat of adsorption data at low pressure regions (0-0.1 kPa) and (ii) Qost obtained from the d. functional theory (DFT). Theor., the max. Qost is found at the pore width of 7.5 Å for both AFI and CHA type zeolites. The max. Qost > 50 kJ/mol is obtained at the first layer of AFI zeolite (AQSOA-Z01 and Z05) structure.
    >> More from SciFinder ®
    https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC2sXhslyhtb%252FN&md5=cc84924bc4a9e92178df778f3edba38c
  16. 16
    Sun, B.; Chakraborty, A. Thermodynamic Formalism of Water Uptakes on Solid Porous Adsorbents for Adsorption Cooling Applications. Appl. Phys. Lett. 2014, 104, 201901,  DOI: 10.1063/1.4876922
    Google Scholar
    16
    Thermodynamic formalism of water uptakes on solid porous adsorbents for adsorption cooling applications
    Sun, Baichuan; Chakraborty, Anutosh
    Applied Physics Letters (2014), 104 (20), 201901/1-201901/4CODEN: APPLAB; ISSN:0003-6951. (American Institute of Physics)
    This Letter presents a thermodn. formulation to calc. the amt. of water vapor uptakes on various adsorbents such as zeolites, metal org. frameworks, and silica gel for the development of an advanced adsorption chiller. This formalism is developed from the rigor of the partition distribution function of each water vapor adsorptive site on adsorbents and the condensation approxn. of adsorptive water mols. and is validated with exptl. data. An interesting and useful finding has been established that the proposed model is thermodynamically connected with the pore structures of adsorbent materials, and the water vapor uptake highly depends on the isosteric heat of adsorption at zero surface coverage and the adsorptive sites of the adsorbent materials. Employing the proposed model, the thermodn. trends of water vapor uptakes on various adsorbents can be estd. (c) 2014 American Institute of Physics.
    >> More from SciFinder ®
    https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC2cXotFGrsbs%253D&md5=63d8c898470dbbdae25615781c3ece2a
  17. 17
    Goldsworthy, M. J. Measurements of Water Vapour Sorption Isotherms for RD Silica Gel, AQSOA-Z01, AQSOA-Z02, AQSOA-Z05 and CECA Zeolite 3A. Microporous Mesoporous Mater. 2014, 196, 59– 67,  DOI: 10.1016/j.micromeso.2014.04.046
    Google Scholar
    17
    Measurements of water vapor sorption isotherms for RD silica gel, AQSOA-Z01, AQSOA-Z02, AQSOA-Z05 and CECA zeolite 3A
    Goldsworthy, M. J.
    Microporous and Mesoporous Materials (2014), 196 (), 59-67CODEN: MIMMFJ; ISSN:1387-1811. (Elsevier Inc.)
    The water vapor adsorption isotherms of RD silica gel, AQSOA-Z01, AQSOA-Z02, AQSOA-Z05 and CECA zeolite 3A are measured for temps. between 20 °C and 160 °C and vapor partial pressures between 1 and 500 mbar. The measurements were fit to a theor. isotherm function and for some materials the RMS deviation was less than 5%. Since others had a poorer theor. fit, all data was also fit to spline functions for use in numerical simulations. The variation of isosteric heats of adsorption as a function of uptake, calcd. using a least squares fitting approach, are compared over a range of uptake values for each adsorbent. The heats of adsorption were between 1 and 1.6 times the heat of vaporisation for uptake values above 10% of the max. uptake for each adsorbent. The AQSOA adsorbents display Type IV isotherm shapes and the silica gel and 3A zeolite display Type I shapes. The sorption hysteresis is investigated for the AQSOA adsorbents at a selected temp. These adsorbents displayed a small degree of hysteresis with an H1 type behavior.
    >> More from SciFinder ®
    https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC2cXht1SltLrF&md5=22e1e9b498419f09eafe87de2ad8c5fd
  18. 18
    Kayal, S.; Baichuan, S.; Saha, B. B. Adsorption Characteristics of AQSOA Zeolites and Water for Adsorption Chillers. Int. J. Heat Mass Transfer 2016, 92, 1120– 1127,  DOI: 10.1016/j.ijheatmasstransfer.2015.09.060
    Google Scholar
    18
    Adsorption characteristics of AQSOA zeolites and water for adsorption chillers
    Kayal, Sibnath; Baichuan, Sun; Saha, Bidyut Baran
    International Journal of Heat and Mass Transfer (2016), 92 (), 1120-1127CODEN: IJHMAK; ISSN:0017-9310. (Elsevier Ltd.)
    In this article, the authors presented the characterization and property evaluation of AQSOA zeolites by various exptl. methods including X-ray diffraction (XRD), Field Emission SEM (FESEM), N2 adsorption/desorption isotherms and thermo gravimetric anal. (TGA). The amt. of H2O uptakes on AQSOA-Z01 and AQSOA-Z02 were measured for the temps. of 298 K, 313 K and 338 K. It was found that the water vapor adsorption isotherm of AQSOA-Z01 was characterized by S-shape with hydrophobic behavior at the beginning of adsorption or low pressures. The enthalpies of adsorption (Qst) for AQSOA zeolites + water were calcd. employing Clausius Clapeyron relations via exptl. measured adsorption isotherms data. The Qst derived from various adsorption isotherm models were also added for comparison purposes. It was found that the porous structure of AQSOA-Z01 exhibits a high H2O vapor uptakes and delivered 0.1 kg of water per kg of zeolite for one adsorption-desorption cycle even at the desorption temp. of 65 °C.
    >> More from SciFinder ®
    https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC2MXhs1Shtr3M&md5=f18c106c407d10d3b30f968cbca4a6a9
  19. 19
    Wei Benjamin Teo, H.; Chakraborty, A.; Fan, W. Improved Adsorption Characteristics Data for AQSOA Types Zeolites and Water Systems under Static and Dynamic Conditions. Microporous Mesoporous Mater. 2017, 242, 109– 117,  DOI: 10.1016/j.micromeso.2017.01.015
    Google Scholar
    There is no corresponding record for this reference.
  20. 20
    Aristov, Y. Concept of Adsorbent Optimal for Adsorptive Cooling/Heating. Appl. Therm. Eng. 2014, 72, 166– 175,  DOI: 10.1016/j.applthermaleng.2014.04.077
    Google Scholar
    There is no corresponding record for this reference.
  21. 21
    Dawoud, B. Water Vapor Adsorption Kinetics on Small and Full Scale Zeolite Coated Adsorbers; A Comparison. Appl. Therm. Eng. 2013, 50, 1645– 1651,  DOI: 10.1016/j.applthermaleng.2011.07.013
    Google Scholar
    There is no corresponding record for this reference.
  22. 22
    Santori, G.; Frazzica, A.; Freni, A.; Galieni, M.; Bonaccorsi, L.; Polonara, F.; Restuccia, G. Optimization and Testing on an Adsorption Dishwasher. Energy 2013, 50, 170– 176,  DOI: 10.1016/j.energy.2012.11.031
    Google Scholar
    22
    Optimization and testing on an adsorption dishwasher
    Santori, G.; Frazzica, A.; Freni, A.; Galieni, M.; Bonaccorsi, L.; Polonara, F.; Restuccia, G.
    Energy (Oxford, United Kingdom) (2013), 50 (), 170-176CODEN: ENEYDS; ISSN:0360-5442. (Elsevier Ltd.)
    This paper reports exptl. testing of an adsorption dishwasher employing different desiccants, such as 13X zeolite, microporous silica gel and SAPO-34 zeolite. Thermodn. comparison of the selected adsorbents was carried out on the basis of the exptl. measurement of the main thermo-phys. parameters, such as sp. heat, adsorption equil. curves and sorption enthalpy.A sensitivity anal. on the adsorption dishwasher parameters was carried out adopting full factorial design (FFD) on a modified dishwasher prototype. Finally, the actual energetic performance for the optimized configuration were exptl. evaluated returning a consumed elec. energy of 0.636 kWh, which is 41% lower than that of std. cycle performed by a std. dishwasher with energy label A.
    >> More from SciFinder ®
    https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC38XhvFSht7zP&md5=e9b95cb688c81bb2d2f848275c61c92c
  23. 23
    Intini, M.; Goldsworthy, M.; White, S.; Joppolo, C. M. Experimental Analysis and Numerical Modelling of an AQSOA Zeolite Desiccant Wheel. Appl. Therm. Eng. 2015, 80, 20– 30,  DOI: 10.1016/j.applthermaleng.2015.01.036
    Google Scholar
    23
    Experimental analysis and numerical modelling of an AQSOA zeolite desiccant wheel
    Intini, Manuel; Goldsworthy, Mark; White, Stephen; Joppolo, Cesare Maria
    Applied Thermal Engineering (2015), 80 (), 20-30CODEN: ATENFT; ISSN:1359-4311. (Elsevier Ltd.)
    An AQSOA zeolite based-desiccant wheel is exptl. and numerically investigated in the present work. The synthetic zeolite AQSOA benefits from a favorable S-shape isotherm whose steepest gradient zone is shifted towards higher vapor partial pressure values. An AQSOA-based desiccant wheel is exptl. characterized over a wide range of process and regeneration air inlet conditions. A one-dimensional, time-dependent numerical model is developed and calibrated using the exptl. data with root mean square deviation of 0.66 g/kg and 0.99 °C for process outlet humidity ratio and temp. resp. The model is used to investigate the influence of area ratio, process inlet temp., humidity and air face velocity on performance. It is found that equal area split is essential to achieve max. moisture removal capacity, while higher process area ratio leads to higher latent cooling, but only in the high regeneration temp. range, and moisture removal efficiency strongly depends on inlet humidity ratio with a weak dependence on process inlet temp. Non dimensional anal. is shown to be useful for identifying optimal revolution speed as a function of inlet face velocity.
    >> More from SciFinder ®
    https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC2MXit1Clurk%253D&md5=452cec88473111f28c211f56e039744c
  24. 24
    Youssef, P. G.; Mahmoud, S. M.; AL-Dadah, R. K. Performance Analysis of Four Bed Adsorption Water Desalination/Refrigeration System, Comparison of AQSOA-Z02 to Silica-Gel. Desalination 2015, 375, 100– 107,  DOI: 10.1016/j.desal.2015.08.002
    Google Scholar
    24
    Performance analysis of four bed adsorption water desalination/refrigeration system, comparison of AQSOA-Z02 to silica-gel
    Youssef, Peter G.; Mahmoud, Saad M.; Al-Dadah, Raya K.
    Desalination (2015), 375 (), 100-107CODEN: DSLNAH; ISSN:0011-9164. (Elsevier B.V.)
    Although many water desalination techniques have been introduced decades ago, there are still areas around the world suffering from fresh water shortages. The widespread of desalination technologies is limited due to their high energy consumption, cost and adverse environmental impact. Recently, adsorption technol. for water desalination has been investigated showing potential of using low temp. waste heat (50-85 °C) thus reducing energy consumption and CO2 emissions. This work math. investigates the performance of 4 bed adsorption cycle using two different adsorbents, silica-gel and an advanced zeolite material AQSOA-Z02, produced by Mitsubishi-plastics for fresh water prodn. and cooling. The work studied effects of evaporator and heat source temps. on water prodn. rate and cooling capacity. Results showed that at low chilled water temps. below 20 °C, AQSOA-Z02 outperforms silica-gel with water prodn. of 6.2 m3 of water/day and cooling of 53.7 Rton/tonne of AQSOA-Z02 compared to 3.5 m3 of water/day and 15.0 Rton/tonne of silica-gel. While, at chilled water temps. above 20 °C, AQSOA-Z02 and silica-gel have comparable performance with around 7 m3 of water/day and 60 Rton of cooling. Since cooling applications require chilled water temp. less than 20 °C, therefore AQSOA-Z02 is more suitable for applications where cooling and fresh water are needed.
    >> More from SciFinder ®
    https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC2MXhtlCgtrnI&md5=f1c3a38307732a730b5366133fdf9d13
  25. 25
    Charalambous, C.; Santori, G.; Vilarrasa-Garcia, E.; Bastos-Neto, M.; Cavalcante, C. L.; Brandani, S. Pure and Binary Adsorption of Carbon Dioxide and Nitrogen on AQSOA FAM Z02. J. Chem. Eng. Data 2018, 63, 661– 670,  DOI: 10.1021/acs.jced.7b00864
    Google Scholar
    25
    Pure and Binary Adsorption of Carbon Dioxide and Nitrogen on AQSOA FAM Z02
    Charalambous, Charithea; Santori, Giulio; Vilarrasa-Garcia, Enrique; Bastos-Neto, Moises; Cavalcante, Celio L., Jr.; Brandani, Stefano
    Journal of Chemical & Engineering Data (2018), 63 (3), 661-670CODEN: JCEAAX; ISSN:0021-9568. (American Chemical Society)
    Adsorption equil. of CO2, N2, and the CO2/N2 binary system on AQSOA FAM Z02 grains were measured over a temp. range of 295 to 348 K and over a wide range in pressure from 0.2 to 20 bar using a gravimetric method. CO2 and N2 single-component exptl. equil. measurements were regressed using the Toth equation. CO2 adsorption on AQSOA FAM Z02 reported higher loadings compared to N2 adsorption at all measured temps., with an adsorption capacity of 6.1 mmol g-1. The adsorption of the CO2/N2 binary mixt. at different gas-phase compns. (0.15/0.85, 0.50/0.50, and 0.80/0.20 mol fractions) was studied. The exptl. data were compared with the prediction of ideal adsorbed soln. theory (IAST), which also included the nonidealities in the bulk gas phase. The IAST model has shown agreement with the exptl. data with <4% av. relative error in the abs. adsorbed amt.
    >> More from SciFinder ®
    https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC1cXitF2hu7c%253D&md5=5a68013966af09aa872d957baff5161d
  26. 26
    Brandani, S. The Rigid Adsorbent Lattice Fluid Model for Pure and Mixed Gas Adsorption. AIChE J. 2019, 65, 1304– 1314,  DOI: 10.1002/aic.16504
    Google Scholar
    26
    The rigid adsorbent lattice fluid model for pure and mixed gas adsorption
    Brandani, Stefano
    AIChE Journal (2019), 65 (4), 1304-1314CODEN: AICEAC; ISSN:0001-1541. (John Wiley & Sons, Inc.)
    The ability of macroscopic models to predict correctly multicomponent systems from pure component isotherms alone remains a major challenge in adsorption engineering. A new fundamental thermodn. model for multicomponent adsorption of mols. of different size in nanoporous materials is derived from a modified lattice fluid model. Expressions for the fugacity coeffs. are derived and the resulting equil. relationships are shown to be consistent with a type I adsorption isotherm. Expressions are obtained for the satn. capacity, the Henry law const. and the adsorption energy. The model is applied to silicalite and the parameters for the adsorbent are obtained from crystal properties, the adsorption energy of n-alkanes and Henry law consts. for six gases. Model predictions for gas adsorption up to 20 bar are shown to be comparable to empirical adsorption isotherm equations. Extension to binary and quaternary systems shows good a priori predictive capability when compared to exptl. data. © 2018 American Institute of Chem. Engineers AIChE J, 2019.
    >> More from SciFinder ®
    https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC1MXht1emurs%253D&md5=8441301f95d8b94061a7ce33c9c1f4c5
  27. 27
    Hampson, J. A.; Rees, L. V. C. Adsorption of Ethane and Propane in Silicalite-1 and Zeolite NaY: Determination of Single Components, Mixture and Partial Adsorption Data Using an Isosteric System. J. Chem. Soc. Faraday Trans. 1993, 89, 3169– 3176,  DOI: 10.1039/ft9938903169
    Google Scholar
    27
    Adsorption of ethane and propane in silicalite-1 and zeolite NaY: determination of single components, mixture and partial adsorption data using an isosteric system
    Hampson, John A.; Rees, Lovat V. C.
    Journal of the Chemical Society, Faraday Transactions (1993), 89 (16), 3169-76CODEN: JCFTEV; ISSN:0956-5000.
    An isosteric method was used to measure the adsorption of ethane and propane in silicalite-1 and zeolite NaY. A full description of their binary mixt. behavior is presented for 3 mixts. of different percentage mol fraction. Single-component, mixt. and partial thermodn data were calcd. and compared.
    >> More from SciFinder ®
    https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADyaK3sXmsl2mtLk%253D&md5=98efa4d7e17a680d0143d47b2e4218d7
  28. 28
    Greenspan, L. Humidity Fixed Points of Binary Saturated Aqueous Solutions. J. Res. Natl. Bur. Stand. - A. Phys. Chem. 1977, 81A, 89– 96,  DOI: 10.6028/jres.081A.011
    Google Scholar
    There is no corresponding record for this reference.
  29. 29
    Luberti, M.; Olkis, C.; Bensted, G.; Santori, G. Water Sorption Equilibrium on 2-Hydroxyethyl-Trimethylammonium Acetate in the Temperature Range 298.25–349.55K. Fluid Phase Equilib. 2020, 522, 112758,  DOI: 10.1016/j.fluid.2020.112758
    Google Scholar
    29
    Water sorption equilibrium on 2-hydroxyethyl-trimethylammonium acetate in temperature range 298.25-349.55K
    Luberti, Mauro; Olkis, Christopher; Bensted, Grady; Santori, Giulio
    Fluid Phase Equilibria (2020), 522 (), 112758CODEN: FPEQDT; ISSN:0378-3812. (Elsevier B.V.)
    Ionic liqs. (ILs) have emerged as novel sorption materials capable to achieve exceptional water vapor uptake that is attractive for their use in heat transformation technologies. Water sorption equil. on 2-hydroxyethyl-trimethylammonium acetate or choline acetate ([Cho][OAc]) were measured at eight different temps.: 298.25, 303.25, 308.35, 318.55, 328.75, 333.85, 344.15 and 349.55 K. Equil. measurements were performed with a dynamic vapor sorption (DVS) system. With a relative humidity of around 90% a water uptake larger than 3.5 gW gIL-1 was obsd. for all the temps. The resulting type III isotherms were correlated with the Guggenheim-Anderson-de Boer (GAB) model as well as the Redlich-Kister (RK) excess Gibbs energy model. It was found that both models fit the exptl. data with great accuracy and provide an appropriate description of the water sorption equil. The regressed parameters of the RK model were also employed to predict excess properties of the binary system. Moreover, a thermodn. cycle was assessed and compared with sorbent benchmarks, highlighting a performance that makes the choline acetate/water pair a viable option in sorption chiller applications.
    >> More from SciFinder ®
    https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BB3cXhsFWhs7bI&md5=621752ffb6e2140dc913495baebff842
  30. 30
    Askalany, A. A.; Freni, A.; Santori, G. Supported Ionic Liquid Water Sorbent for High Throughput Desalination and Drying. Desalination 2019, 452, 258– 264,  DOI: 10.1016/j.desal.2018.11.002
    Google Scholar
    30
    Supported ionic liquid water sorbent for high throughput desalination and drying
    Askalany, Ahmed A.; Freni, Angelo; Santori, Giulio
    Desalination (2019), 452 (), 258-264CODEN: DSLNAH; ISSN:0011-9164. (Elsevier B.V.)
    The composite material 1-ethyl-3-methylimidazolium methanesulfonate ionic liq. in Syloid AL-1FP silica shows unprecedented water vapor sorption equil. properties. Equil. data were recorded at different loads of ionic liq. in the silica support (from 1.8%w to 60%w). At loadings >1.8%w, all the composites show type 3 isotherm, therefore conserving the vapor-liq. equil. of the bulk ionic liq./water binary system but with increased dependence between temp. and water adsorbed. This feature makes this composite material particularly suitable for thermally-driven technologies. The composite 60%w 1-ethyl-3-methylimidazolium methanesulfonate ionic liq. in 40%w Syloid AL-1FP silica shifts the performance of sorption desalination and drying processes at the unprecedented working capacity of 0.46 gwater/gsorbent (desalination) and 0.82 gwater/gsorbent (drying).
    >> More from SciFinder ®
    https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC1cXisVSntrrL&md5=84e186392e1eadc91352d686b13d02e8
  31. 31
    Sing, K. S. W.; Everett, D. H.; Haul, R. A. W.; Moscou, L.; Pierotti, R. A.; Rouquerol, J.; Siemieniewska, T. Reporting Physisorption Data for Gas/Solid Systems with Special Reference to the Determination of Surface Area and Porosity. Pure Appl. Chem. 1985, 57, 603– 619,  DOI: 10.1351/pac198557040603
    Google Scholar
    31
    Reporting physisorption data for gas/solid systems with special reference to the determination of surface area and porosity (Recommendations 1984)
    Sing, K. S. W.; Everett, D. H.; Haul, R. A. W.; Moscou, L.; Pierotti, R. A.; Rouquerol, J.; Siemieniewska, T.
    Pure and Applied Chemistry (1985), 57 (4), 603-19CODEN: PACHAS; ISSN:0033-4545.
    Problems and ambiguities in reporting data are discussed. Procedures and terminol. for reporting data re recommended.
    >> More from SciFinder ®
    https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADyaL2MXhvFWrtb4%253D&md5=4fbbea83b3a13b5f22e6d26e5d0ab20c
  32. 32
    Mosquera, M. A. Simple Isotherm Equations to Fit Type I Adsorption Data. Fluid Phase Equilib. 2013, 337, 174– 182,  DOI: 10.1016/j.fluid.2012.09.010
    Google Scholar
    32
    Simple isotherm equations to fit type I adsorption data
    Mosquera, Martin A.
    Fluid Phase Equilibria (2013), 337 (), 174-182CODEN: FPEQDT; ISSN:0378-3812. (Elsevier B.V.)
    We propose that the Hill model of adsorption can be used to fit type I adsorption isotherms in general. The main assumption that allows us to apply this model empirically is that the adsorbate phase can be divided into identical and non-interacting effective subsystems. This gives rise to a simple multiparametric isotherm based on the grand canonical ensemble statistics, whose functional form is a ratio of two polynomial functions. The parameters are interpreted as adsorption equil. consts. A simple recurrence relation for the equil. consts. is proposed for systems that show an apparent variation in the coverage limit with temp. This relation avoids overparametrization and improves fitting deviations. We revisit a simplified isotherm derived by Ruthven and show that it can also be applied to heterogeneous systems. We also show how to use the isotherms of Hill and Ruthven, along with the recurrence relation shown in this work, to fit the adsorption data to obtain parameters with statistical significance. Due to their high accuracy, both isotherm equations can be used to est. thermodn. properties like isosteric and differential heats of adsorption. Finally, several applications to fitting data, taken from literature, of adsorption of some gases on activated carbon, mol. sieving carbon, silica gel, and pillared clays are presented.
    >> More from SciFinder ®
    https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC38XhvVGlsbvO&md5=b4ace15e7e360303bbdccd5fbcdc00e0
  33. 33
    Ruthven, D. M. Simple Theoretical Adsorption Isotherm for Zeolites. Nat. Phys. Sci. 1971, 232, 70– 71,  DOI: 10.1038/physci232070a0
    Google Scholar
    33
    Simple theoretical adsorption isotherm for zeolites
    Ruthven, D. M.
    Nature (London), Physical Science (1971), 232 (29), 70-1CODEN: NPSCA6; ISSN:0300-8746.
    A theoretical adsorption isotherm for zeolites is derived by using the principles of statistical thermodynamics and is obsd. to be a good fit to the exptl. data for the sorption of propane in Linde 5A zeolite at 85°. The theoretical and exptl. isotherms agree well for 0-65% satn., and equally good agreement was obsd. at other temps. with other hydrocarbon sorbates.
    >> More from SciFinder ®
    https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADyaE3MXkvVSmuro%253D&md5=dde94c622dd5c3dd588f73f42041c5c0
  34. 34
    Verbraeken, M. C.; Brandani, S. A Priori Predictions of Type I and Type V Isotherms by the Rigid Adsorbent Lattice Fluid. Adsorption 2020, 26, 989– 1000,  DOI: 10.1007/s10450-019-00174-7
    Google Scholar
    34
    A priori predictions of type I and type V isotherms by the rigid adsorbent lattice fluid
    Verbraeken, Maarten C.; Brandani, Stefano
    Adsorption (2020), 26 (7), 989-1000CODEN: ADSOFO; ISSN:0929-5607. (Springer)
    Adsorbents exhibiting non type I adsorption behavior are becoming increasingly more important in industrial applications, such as drying and gas sepn. The ability to model these processes is essential in process optimization and intensification, but requires an accurate description of the adsorption isotherms under a range of conditions. Here we describe how the Rigid Adsorbent Lattice Fluid is capable of a priori predictions both type I and type V adsorption behavior in silicalite-1. The predictions are consistent with exptl. observations for aliph. (type I) and polar (type V) mols. in this hydrophobic material. Type V behavior is related to mol. clustering and the paper discusses the model parameters governing the presence/absence of this behavior in the predicted isotherms. It is found that both the solid porosity and the adsorbate interaction energy/energy d. are deciding factors for the isotherm shape. Importantly, the model, while thermodynamically consistent, is macroscopic and thus computationally light and requires only a small no. of phys. meaningful parameters.
    >> More from SciFinder ®
    https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC1MXit1ajt7nJ&md5=dd898f94dc90a022f3e994fd5875180b
  35. 35
    Verbraeken, M. C.; Brandani, S. Predictions of Stepped Isotherms in Breathing Adsorbents by the Rigid Adsorbent Lattice Fluid. J. Phys. Chem. C 2019, 123, 14517– 14529,  DOI: 10.1021/acs.jpcc.9b02977
    Google Scholar
    35
    Predictions of Stepped Isotherms in Breathing Adsorbents by the Rigid Adsorbent Lattice Fluid
    Verbraeken, Maarten C.; Brandani, Stefano
    Journal of Physical Chemistry C (2019), 123 (23), 14517-14529CODEN: JPCCCK; ISSN:1932-7447. (American Chemical Society)
    Adsorbents that undergo structural changes in the presence of adsorbate mols. are an interesting new class of materials, which could offer enhanced selectivity, purity, and recovery in sepn. technol. To date, however, their application in such technol. is hampered by the lack of a simple, consistent thermodn. framework, which can effectively describe and predict their adsorption behavior under a range of conditions. This becomes esp. true for their behavior in multicomponent adsorbate mixts., for which exptl. data are limited and cumbersome to obtain. Here, we present how the relatively simple rigid adsorbent lattice fluid model successfully and accurately predicts stepped isotherms in the breathing metal-org. framework, MIL-53 (Al), in the presence of CO2 and CH4. Breathing transitions are predicted solely on the basis of the different densities of the material's two structural configurations and their assocd. Gibbs energies. Hysteresis effects can easily be included by considering the structures' osmotic stress, which can be calcd. readily from the lattice fluid expressions. The model can be parameterized with a min. of exptl. or simulated data, subsequently becoming predictive, and because the model has its origins in statistical mechanics, no prior assumptions, such as Langmuir-type behavior, are required, presenting a major advantage over existing (semi)-empirical models. The approach shown in this study should furthermore be generic and should equally well apply to other flexible adsorbents.
    >> More from SciFinder ®
    https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC1MXpvVChurY%253D&md5=40960b366832cea5ce51b553f1d4b52b
  36. 36
    Thommes, M.; Kaneko, K.; Neimark, A. V.; Olivier, J. P.; Rodriguez-Reinoso, F.; Rouquerol, J.; Sing, K. S. W. Physisorption of Gases, with Special Reference to the Evaluation of Surface Area and Pore Size Distribution (IUPAC Technical Report). Pure Appl. Chem. 2015, 87, 1051– 1069,  DOI: 10.1515/pac-2014-1117
    Google Scholar
    36
    Physisorption of gases, with special reference to the evaluation of surface area and pore size distribution (IUPAC Technical Report)
    Thommes, Matthias; Kaneko, Katsumi; Neimark, Alexander V.; Olivier, James P.; Rodriguez-Reinoso, Francisco; Rouquerol, Jean; Sing, Kenneth S. W.
    Pure and Applied Chemistry (2015), 87 (9-10), 1051-1069CODEN: PACHAS; ISSN:0033-4545. (Walter de Gruyter, Inc.)
    Gas adsorption is an important tool for the characterization of porous solids and fine powders. Major advances in recent years have made it necessary to update the 1985 IUPAC manual on Reporting Physisorption Data for Gas/Solid Systems. The aims of the present document are to clarify and standardise the presentation, nomenclature and methodol. assocd. with the application of physisorption for surface area assessment and pore size anal. and to draw attention to remaining problems in the interpretation of physisorption data.
    >> More from SciFinder ®
    https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC2MXhs1Chtr3I&md5=5d051d4996b2f4e47cf484a9f93e128f
  37. 37
    De Angelis, M. G.; Sarti, G. C. Solubility of Gases and Liquids in Glassy Polymers. Annu. Rev. Chem. Biomol. Eng. 2011, 2, 97– 120,  DOI: 10.1146/annurev-chembioeng-061010-114247
    Google Scholar
    37
    Solubility of gases and liquids in glassy polymers
    De Angelis Maria Grazia; Sarti Giulio C
    Annual review of chemical and biomolecular engineering (2011), 2 (), 97-120 ISSN:1947-5438.
    This review discusses a macroscopic thermodynamic procedure to calculate the solubility of gases, vapors, and liquids in glassy polymers that is based on the general procedure provided by the nonequilibrium thermodynamics for glassy polymers (NET-GP) method. Several examples are presented using various nonequilibrium (NE) models including lattice fluid (NELF), statistical associating fluid theory (NE-SAFT), and perturbed hard sphere chain (NE-PHSC). Particular applications illustrate the calculation of infinite-dilution solubility coefficients in different glassy polymers and the prediction of solubility isotherms for different gases and vapors in pure polymers as well as in polymer blends. The determination of model parameters is discussed, and the predictive abilities of the models are illustrated. Attention is also given to the solubility of gas mixtures and solubility isotherms in nanocomposite mixed matrices. The fractional free volume determined from solubility data can be used to correlate solute diffusivities in mixed matrices.
    >> More from SciFinder ®
    https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A280%3ADC%252BC38votVaiug%253D%253D&md5=dd838b0ab34f4b0fc902eb1babd5f330
  38. 38
    James, F. Function Minimization and Error Analysis. CERN Program Library Long Writeup D506; CERN: Geneva, Switzerland, 1998. https://cdsweb.cern.ch/record/2296388/files/minuit.pdf.
    Google Scholar
    There is no corresponding record for this reference.

Cited By

Click to copy section linkSection link copied!

This article is cited by 3 publications.

  1. Shihab AL-Hasni, Giulio Santori. The cost of manufacturing adsorption chillers. Thermal Science and Engineering Progress 2023, 39 , 101685. https://doi.org/10.1016/j.tsep.2023.101685
  2. Stefano Brandani. The Rigid Adsorbent Lattice Fluid Model: Thermodynamic Consistency and Relationship to the Real Adsorbed Solution Theory. Membranes 2022, 12 (10) , 1009. https://doi.org/10.3390/membranes12101009
  3. Antonio Baldanza, Domenico Mallamace, Giuseppe Mensitieri, Cosimo Brondi, Pellegrino Musto, Giuseppe Scherillo. Survey on Adsorption of Low Molecular Weight Compounds in Cu-BTC Metal–Organic Framework: Experimental Results and Thermodynamic Modeling. International Journal of Molecular Sciences 2022, 23 (16) , 9406. https://doi.org/10.3390/ijms23169406
Download PDF
Open PDF
Go to Journal of Chemical & Engineering Data
Get e-Alerts
Get e-Alerts

Journal of Chemical & Engineering Data

Cite this: J. Chem. Eng. Data 2022, 67, 7, 1723–1731
Click to copy citationCitation copied!
https://doi.org/10.1021/acs.jced.1c00942
Published June 7, 2022

Copyright © 2022 The Authors. Published by American Chemical Society. This publication is licensed under

CC-BY 4.0 .

Article Views

1904

Altmetric

-

Citations

3
Learn about these metrics

Article Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.

Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.

The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated.

  • Abstract

    High Resolution Image
    Download MS PowerPoint Slide

    Figure 1

    Figure 1. Pore size distribution measured by mercury porosimetry.

    High Resolution Image
    Download MS PowerPoint Slide

    Figure 2

    Figure 2. Dynamic response of the Aquadyne system at 50 °C.

    High Resolution Image
    Download MS PowerPoint Slide

    Figure 3

    Figure 3. Experimental data at 30 °C (a); 50 °C (b); and 70 °C (c). These include replicate runs and values from the two balances where available. Lines are to guide the eye based on the average value measured using the Aquadyne DVS.

    High Resolution Image
    Download MS PowerPoint Slide

    Figure 4

    Figure 4. Semilog (left) and linear (right) comparison of RALF-DS and experimental average adsorption data (squares) at 30 °C, 50 °C, and 70 °C. Empty squares not included in the regression. Dashed lines correspond to the statistical isotherm of Goldsworthy. (17) The linear plot includes the separate contributions of site a (full line) and site b (dash-dot line) at 70 °C.

    High Resolution Image
    Download MS PowerPoint Slide

    Figure 5

    Figure 5. Comparison of isosteric heats obtained from the RALF-DS model and the statistical isotherm and spline fit of the data by Goldsworthy. (17)

    High Resolution Image
    Download MS PowerPoint Slide

    Figure 6

    Figure 6. Comparison of RALF-DS adsorption (full line) and desorption (dashed line) curves and experimental average adsorption (squares) and desorption (circles) at 30 °C, 50 °C, and 70 °C.

    High Resolution Image
    Download MS PowerPoint Slide

  • References

    This article references 38 other publications.

    1. 1
      Chatterjee, S.; Huang, K. W. Unrealistic Energy and Materials Requirement for Direct Air Capture in Deep Mitigation Pathways. Nat. Commun. 2020, 11, 1– 3,  DOI: 10.1038/s41467-020-17203-7
      There is no corresponding record for this reference.
    2. 2
      Luberti, M.; Gowans, R.; Finn, P.; Santori, G. An Estimate of the Ultralow Waste Heat Available in the European Union. Energy 2022, 238, 121967,  DOI: 10.1016/j.energy.2021.121967
      There is no corresponding record for this reference.
    3. 3
      Olkis, C.; Brandani, S.; Santori, G. Cycle and Performance Analysis of a Small-Scale Adsorption Heat Transformer for Desalination and Cooling Applications. Chem. Eng. J. 2019, 378, 122104,  DOI: 10.1016/j.cej.2019.122104
      3
      Cycle and performance analysis of a small-scale adsorption heat transformer for desalination and cooling applications
      Olkis, C.; Brandani, S.; Santori, G.
      Chemical Engineering Journal (Amsterdam, Netherlands) (2019), 378 (), 122104CODEN: CMEJAJ; ISSN:1385-8947. (Elsevier B.V.)
      Adsorption heat transformers use low-grade heat to produce potable water and provide cooling at the same time. In this study, we present a comprehensive performance anal. for an exptl. system featuring the world's smallest design using silica gel, which is commonly used as benchmarking material. We analyze the system performance in a thorough cycle anal. that quantifies the influence of isosteric heating times and cycle times onto the adsorption working capacity. In addn., the performance is assessed through common performance indicators for desalination as well as cooling. We found that the system achieved a Specific Daily Water Prodn. of up to 10.9 kgw/(kgsgd) at 80 °C. The combination of cooling and desalination is discussed highlighting advantages as well as disadvantages, which are often neglected. The results show that silica gel has a high performance in desalination, which decreases by more than 60% if cooling is desired as well.
      >> More from SciFinder ®
      https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC1MXhtlalsrvE&md5=eb231f340240992ffe54d3f045178177
    4. 4
      Askalany, A. A.; Freni, A.; Santori, G. Supported Ionic Liquid Water Sorbent for High Throughput Desalination and Drying. Desalination 2019, 452, 258– 264,  DOI: 10.1016/j.desal.2018.11.002
      4
      Supported ionic liquid water sorbent for high throughput desalination and drying
      Askalany, Ahmed A.; Freni, Angelo; Santori, Giulio
      Desalination (2019), 452 (), 258-264CODEN: DSLNAH; ISSN:0011-9164. (Elsevier B.V.)
      The composite material 1-ethyl-3-methylimidazolium methanesulfonate ionic liq. in Syloid AL-1FP silica shows unprecedented water vapor sorption equil. properties. Equil. data were recorded at different loads of ionic liq. in the silica support (from 1.8%w to 60%w). At loadings >1.8%w, all the composites show type 3 isotherm, therefore conserving the vapor-liq. equil. of the bulk ionic liq./water binary system but with increased dependence between temp. and water adsorbed. This feature makes this composite material particularly suitable for thermally-driven technologies. The composite 60%w 1-ethyl-3-methylimidazolium methanesulfonate ionic liq. in 40%w Syloid AL-1FP silica shifts the performance of sorption desalination and drying processes at the unprecedented working capacity of 0.46 gwater/gsorbent (desalination) and 0.82 gwater/gsorbent (drying).
      >> More from SciFinder ®
      https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC1cXisVSntrrL&md5=84e186392e1eadc91352d686b13d02e8
    5. 5
      Santori, G.; Di Santis, C. Optimal Fluids for Adsorptive Cooling and Heating. Sustain. Mater. Technol. 2017, 12, 52– 61,  DOI: 10.1016/j.susmat.2017.04.005
      There is no corresponding record for this reference.
    6. 6
      Zhang, Y.; Wang, R. Sorption Thermal Energy Storage: Concept, Process, Applications and Perspectives. Energy Storage Mater. 2020, 27, 352– 369,  DOI: 10.1016/j.ensm.2020.02.024
      There is no corresponding record for this reference.
    7. 7
      Olkis, C.; Brandani, S.; Santori, G. Adsorption Reverse Electrodialysis Driven by Power Plant Waste Heat to Generate Electricity and Provide Cooling. Int. J. Energy Res. 2021, 45, 1971– 1987,  DOI: 10.1002/er.5891
      7
      Adsorption reverse electrodialysis driven by power plant waste heat to generate electricity and provide cooling
      Olkis, Christopher; Brandani, Stefano; Santori, Giulio
      International Journal of Energy Research (2021), 45 (2), 1971-1987CODEN: IJERDN; ISSN:0363-907X. (John Wiley & Sons Ltd.)
      Steam power plants release more than half of the primary energy input as ultra low temp. heat below 40 C into the environment causing thermal pollution. The emitted heat has a very low exergy content making it challenging to use as heat input by another process. Adsorption desalination combined with reverse electrodialysis can be powered by this heat and convert it into electricity. Thus, the system can mitigate thermal pollution and generate electricity at the same time. This study combines a validated reverse electrodialysis model with a dynamic adsorption desalination model that is validated with exptl. data within this work. The expts. were conducted using a small-scale adsorption desalinator and silica gel proving the feasibility of the regeneration at heat source temps. as low as 40 C. The simulations of the integrated system analyze different heat integration scenarios showing exergy efficiencies up to 15% and energy efficiencies up to 0.55%. Hence, the system could generate 65 kW electricity from a 20 MW heat source considering pumping losses.
      >> More from SciFinder ®
      https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BB3MXhslKhtro%253D&md5=82c834b135ca0efc7edce3813a8fe7cc
    8. 8
      Santori, G.; Charalambous, C.; Ferrari, M. C.; Brandani, S. Adsorption Artificial Tree for Atmospheric Carbon Dioxide Capture, Purification and Compression. Energy 2018, 162, 1158– 1168,  DOI: 10.1016/j.energy.2018.08.090
      8
      Adsorption artificial tree for atmospheric carbon dioxide capture, purification and compression
      Santori, Giulio; Charalambous, Charithea; Ferrari, Maria-Chiara; Brandani, Stefano
      Energy (Oxford, United Kingdom) (2018), 162 (), 1158-1168CODEN: ENEYDS; ISSN:0360-5442. (Elsevier Ltd.)
      The current concn. of carbon dioxide in the atm. demands for development of neg. emission solns. such as direct carbon dioxide removal from the atm. (air capture). Many well-established processes can remove carbon dioxide from the atm. but the real technol. challenge consists of concg. and compressing carbon dioxide at the conditions for long term geol. storage, with efficient use of non-fossil energy sources. A thermally-driven, neg.-carbon adsorption process for capture, purifn. and compression of carbon dioxide from air is proposed. The process is based on a series of batch adsorption compressors of decreasing size to deliver a compressed carbon dioxide stream to a final storage. Thermodn. anal. of the process shows that, by exploiting the equil. properties of com. and non-com. materials, carbon dioxide can be produced at specifications appropriate for geol. storage. By operating the process with zeolite 13X at regeneration temp. of 95 °C, a final storage vessel can be pressurized with carbon dioxide at purities >0.95 mol fraction and specific energy consumption <2.2 MJth mol-1CO2. Tailored materials provide a step-change in performance. When the process operates with zeolite NaETS-4, carbon dioxide can be purified at values >0.97 mol fraction.
      >> More from SciFinder ®
      https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC1cXhsFOhsL%252FM&md5=b1470a7ec59f3ecc42c0b8d14f6431d4
    9. 9
      Ristić, A.; Fischer, F.; Hauer, A.; Zabukovec Logar, N. Improved Performance of Binder-Free Zeolite Y for Low-Temperature Sorption Heat Storage. J. Mater. Chem. A 2018, 6, 11521– 11530,  DOI: 10.1039/C8TA00827B
      9
      Improved performance of binder-free zeolite Y for low-temperature sorption heat storage
      Ristic, Alenka; Fischer, Fabian; Hauer, Andreas; Zabukovec Logar, Natasa
      Journal of Materials Chemistry A: Materials for Energy and Sustainability (2018), 6 (24), 11521-11530CODEN: JMCAET; ISSN:2050-7496. (Royal Society of Chemistry)
      The sustainable generation of energy and low-energy consuming technologies are two main approaches to combat climate change and reduce carbon dioxide emissions. Sorption heat storage is part of the second approach. Therefore, adsorbents that achieve high energy storage d. under the working conditions of the storage application are required. In this study, the hydrophilic properties of a granulated binder-free zeolite NaY were tailored with the aim of increasing its performance at a desorption temp. of 140 °C for mobile sorption heat storage. Top-down approaches, such as chem. treatment with the chelating agent H4EDTA, treatment with the inorg. acid HCl and sequential ion exchange with acid treatment, were used in order to decrease the desorption temp. and optimize the low-temp. heat storage d. All the modified samples showed a decrease in the desorption temp. from 10 to 30 °C compared to the parent sample; only the desorption temp. of the acid-treated Mg-exchanged NaY sample increased. The effect of different treatments on the structural properties of the materials, including the generation of framework defects and mesoporosity was detd. The energy storage densities of the NaY and all the modified samples are considerably higher in comparison to the currently used adsorbent (NaMSX) in mobile sorption heat storage for low-temp. industrial waste heat recovery.
      >> More from SciFinder ®
      https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC1cXhtVSkurrJ&md5=bee5189738f4428a3d985152d4b9b508
    10. 10
      Krajnc, A.; Varlec, J.; Mazaj, M.; Ristić, A.; Logar, N. Z.; Mali, G. Superior Performance of Microporous Aluminophosphate with LTA Topology in Solar-Energy Storage and Heat Reallocation. Adv. Energy Mater. 2017, 7, 1601815,  DOI: 10.1002/aenm.201601815
      There is no corresponding record for this reference.
    11. 11
      Sapienza, A.; Velte, A.; Girnik, I.; Frazzica, A.; Füldner, G.; Schnabel, L.; Aristov, Y. Water - Silica Siogel” Working Pair for Adsorption Chillers: Adsorption Equilibrium and Dynamics. Renew. Energy 2017, 110, 40– 46,  DOI: 10.1016/j.renene.2016.09.065
      11
      "Water - Silica Siogel" working pair for adsorption chillers: Adsorption equilibrium and dynamics
      Sapienza, Alessio; Velte, Andreas; Girnik, Ilya; Frazzica, Andrea; Fuldner, Gerrit; Schnabel, Lena; Aristov, Yuri
      Renewable Energy (2017), 110 (), 40-46CODEN: RNENE3; ISSN:0960-1481. (Elsevier Ltd.)
      The aim of this paper is to study the equil. and dynamics of water adsorption on a com. silica gel Siogel. This adsorbent has recently been suggested and tested for adsorptive transformation and storage of low temp. heat. The original data on the water vapor equil. and dynamics are compared with those earlier reported for the Fuji silica RD. This database can be used for theor. anal., math. modeling and evaluation of adsorptive cycles based on the working pair "water - Siogel" and driven by heat from renewable heat sources.
      >> More from SciFinder ®
      https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC28Xhs1SrtbfO&md5=1ad34227110006c7df20611afb93a996
    12. 12
      Palash, M. L.; Rupam, T. H.; Pal, A.; Chakraborty, A.; Saha, B. B.; Wang, R. Design Principles for Synthesizing High Grade Activated Carbons for Adsorption Heat Pumps. Chem. Eng. J. Adv. 2021, 6, 100086,  DOI: 10.1016/j.ceja.2021.100086
      There is no corresponding record for this reference.
    13. 13
      Liu, X.; Wang, X.; Kapteijn, F. Water and Metal-Organic Frameworks: From Interaction toward Utilization. Chem. Rev. 2020, 120, 8303– 8377,  DOI: 10.1021/acs.chemrev.9b00746
      13
      Water and Metal-Organic Frameworks: From Interaction toward Utilization
      Liu, Xinlei; Wang, Xuerui; Kapteijn, Freek
      Chemical Reviews (Washington, DC, United States) (2020), 120 (16), 8303-8377CODEN: CHREAY; ISSN:0009-2665. (American Chemical Society)
      A review. The steep stepwise uptake of water vapor and easy release at low relative pressures and moderate temps. together with high working capacities make metal-org. frameworks (MOFs) attractive, promising materials for energy efficient applications in adsorption devices for humidity control (evapn. and condensation processes) and heat reallocation (heating and cooling) by utilizing water as benign sorptive and low-grade renewable or waste heat. Emerging MOF-based process applications covered are desiccation, heat pumps/chillers, water harvesting, air conditioning, and desalination. Governing parameters of the intrinsic sorption properties and stability under humid conditions and cyclic operation are identified. Transport of mass and heat in MOF structures, at least as important, is still an underexposed topic. Essential engineering elements of operation and implementation are presented. An update on stability of MOFs in water vapor and liq. systems is provided, and a suite of 18 MOFs are identified for selective use in heat pumps and chillers, while several can be used for air conditioning, water harvesting, and desalination. Most applications with MOFs are still in an exploratory state. An outlook is given for further R and D to realize these applications, providing essential kinetic parameters, performing smart engineering in the design of systems, and conceptual process designs to benchmark them against existing technologies. A concerted effort bridging chem., materials science, and engineering is required.
      >> More from SciFinder ®
      https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BB3cXptlCntb0%253D&md5=ef1025a8a5fbbc3a3723d450f02337d2
    14. 14
      Frazzica, A.; Brancato, V.; Caprì, A.; Cannilla, C.; Gordeeva, L. G.; Aristov, Y. I. Development of “Salt in Porous Matrix” Composites Based on LiCl for Sorption Thermal Energy Storage. Energy 2020, 208, 118338,  DOI: 10.1016/j.energy.2020.118338
      14
      Development of salt in porous matrix composites based on LiCl for sorption thermal energy storage
      Frazzica, A.; Brancato, V.; Capri, A.; Cannilla, C.; Gordeeva, L. G.; Aristov, Y. I.
      Energy (Oxford, United Kingdom) (2020), 208 (), 118338CODEN: ENEYDS; ISSN:0360-5442. (Elsevier Ltd.)
      In this study, the development and characterization of composite sorbents based on com. mesoporous silica gels and LiCl for seasonal thermal energy storage (STES) applications is described. The reported activity aims at validating the operation of sorption STES in various cold climatic zones in Europe. Accordingly, the ref. boundary conditions were identified by means of a climatic anal. in two climatic zones, namely, Central and Northern Europe. The acquired mesoporous silica gels were characterized, to evaluate the textural properties, i.e. specific pore vol. and pore size, needed to define the optimal salt soln. compns. to maximize the amt. of salt embedded. The synthesized samples were firstly investigated using SEM and nitrogen physisorption that demonstrate the presence of a small quantity of salt over the external surface rather than inside the pores. A hydrothermal treatment, based on slow adsorption followed by a slow desorption step, was defined to solve this issue. Finally, starting from the measured equil. isobars, the expected STES d. at material level was evaluated, obtaining values as high as 1080 J/g under cold Northern European climatic condition, corresponding to 650 MJ/m3.
      >> More from SciFinder ®
      https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BB3cXhsVSmtbvM&md5=240b192511589b22097ff8ae31ad4b75
    15. 15
      Fan, W.; Chakraborty, A. Isosteric Heat of Adsorption at Zero Coverage for AQSOA-Z01/Z02/Z05 Zeolites and Water Systems. Microporous Mesoporous Mater. 2018, 260, 201– 207,  DOI: 10.1016/j.micromeso.2017.10.039
      15
      Isosteric heat of adsorption at zero coverage for AQSOA-Z01/Z02/Z05 zeolites and water systems
      Fan, Wu; Chakraborty, Anutosh
      Microporous and Mesoporous Materials (2018), 260 (), 201-207CODEN: MIMMFJ; ISSN:1387-1811. (Elsevier B.V.)
      This paper presents the evaluation of isosteric heats of adsorption at zero coverage for AQSOA type zeolites and water systems. The adsorption process is identified by favorable adsorptive sites with larger interaction potentials between water mols. and the mol. structure of AFI and CHA type zeolites, and a cylindrical Lennard-Jones potential model is applied to calc. the external wall potential. The isosteric heat of adsorption at zero coverage (Qost) is calcd. employing Boltzmann weighted potential with the multiple layers of zeolite-structure channel. The most favorable adsorptive sites are identified (i) at the surface of the zeolite pore for CHA type zeolite such as AQSOA-Z02 and (ii) inside the zeolite pore for AFI (type AQSOA-Z01 and Z05) zeolites. The simulated Qost values are compared with (i) exptl. measured isosteric heat of adsorption data at low pressure regions (0-0.1 kPa) and (ii) Qost obtained from the d. functional theory (DFT). Theor., the max. Qost is found at the pore width of 7.5 Å for both AFI and CHA type zeolites. The max. Qost > 50 kJ/mol is obtained at the first layer of AFI zeolite (AQSOA-Z01 and Z05) structure.
      >> More from SciFinder ®
      https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC2sXhslyhtb%252FN&md5=cc84924bc4a9e92178df778f3edba38c
    16. 16
      Sun, B.; Chakraborty, A. Thermodynamic Formalism of Water Uptakes on Solid Porous Adsorbents for Adsorption Cooling Applications. Appl. Phys. Lett. 2014, 104, 201901,  DOI: 10.1063/1.4876922
      16
      Thermodynamic formalism of water uptakes on solid porous adsorbents for adsorption cooling applications
      Sun, Baichuan; Chakraborty, Anutosh
      Applied Physics Letters (2014), 104 (20), 201901/1-201901/4CODEN: APPLAB; ISSN:0003-6951. (American Institute of Physics)
      This Letter presents a thermodn. formulation to calc. the amt. of water vapor uptakes on various adsorbents such as zeolites, metal org. frameworks, and silica gel for the development of an advanced adsorption chiller. This formalism is developed from the rigor of the partition distribution function of each water vapor adsorptive site on adsorbents and the condensation approxn. of adsorptive water mols. and is validated with exptl. data. An interesting and useful finding has been established that the proposed model is thermodynamically connected with the pore structures of adsorbent materials, and the water vapor uptake highly depends on the isosteric heat of adsorption at zero surface coverage and the adsorptive sites of the adsorbent materials. Employing the proposed model, the thermodn. trends of water vapor uptakes on various adsorbents can be estd. (c) 2014 American Institute of Physics.
      >> More from SciFinder ®
      https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC2cXotFGrsbs%253D&md5=63d8c898470dbbdae25615781c3ece2a
    17. 17
      Goldsworthy, M. J. Measurements of Water Vapour Sorption Isotherms for RD Silica Gel, AQSOA-Z01, AQSOA-Z02, AQSOA-Z05 and CECA Zeolite 3A. Microporous Mesoporous Mater. 2014, 196, 59– 67,  DOI: 10.1016/j.micromeso.2014.04.046
      17
      Measurements of water vapor sorption isotherms for RD silica gel, AQSOA-Z01, AQSOA-Z02, AQSOA-Z05 and CECA zeolite 3A
      Goldsworthy, M. J.
      Microporous and Mesoporous Materials (2014), 196 (), 59-67CODEN: MIMMFJ; ISSN:1387-1811. (Elsevier Inc.)
      The water vapor adsorption isotherms of RD silica gel, AQSOA-Z01, AQSOA-Z02, AQSOA-Z05 and CECA zeolite 3A are measured for temps. between 20 °C and 160 °C and vapor partial pressures between 1 and 500 mbar. The measurements were fit to a theor. isotherm function and for some materials the RMS deviation was less than 5%. Since others had a poorer theor. fit, all data was also fit to spline functions for use in numerical simulations. The variation of isosteric heats of adsorption as a function of uptake, calcd. using a least squares fitting approach, are compared over a range of uptake values for each adsorbent. The heats of adsorption were between 1 and 1.6 times the heat of vaporisation for uptake values above 10% of the max. uptake for each adsorbent. The AQSOA adsorbents display Type IV isotherm shapes and the silica gel and 3A zeolite display Type I shapes. The sorption hysteresis is investigated for the AQSOA adsorbents at a selected temp. These adsorbents displayed a small degree of hysteresis with an H1 type behavior.
      >> More from SciFinder ®
      https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC2cXht1SltLrF&md5=22e1e9b498419f09eafe87de2ad8c5fd
    18. 18
      Kayal, S.; Baichuan, S.; Saha, B. B. Adsorption Characteristics of AQSOA Zeolites and Water for Adsorption Chillers. Int. J. Heat Mass Transfer 2016, 92, 1120– 1127,  DOI: 10.1016/j.ijheatmasstransfer.2015.09.060
      18
      Adsorption characteristics of AQSOA zeolites and water for adsorption chillers
      Kayal, Sibnath; Baichuan, Sun; Saha, Bidyut Baran
      International Journal of Heat and Mass Transfer (2016), 92 (), 1120-1127CODEN: IJHMAK; ISSN:0017-9310. (Elsevier Ltd.)
      In this article, the authors presented the characterization and property evaluation of AQSOA zeolites by various exptl. methods including X-ray diffraction (XRD), Field Emission SEM (FESEM), N2 adsorption/desorption isotherms and thermo gravimetric anal. (TGA). The amt. of H2O uptakes on AQSOA-Z01 and AQSOA-Z02 were measured for the temps. of 298 K, 313 K and 338 K. It was found that the water vapor adsorption isotherm of AQSOA-Z01 was characterized by S-shape with hydrophobic behavior at the beginning of adsorption or low pressures. The enthalpies of adsorption (Qst) for AQSOA zeolites + water were calcd. employing Clausius Clapeyron relations via exptl. measured adsorption isotherms data. The Qst derived from various adsorption isotherm models were also added for comparison purposes. It was found that the porous structure of AQSOA-Z01 exhibits a high H2O vapor uptakes and delivered 0.1 kg of water per kg of zeolite for one adsorption-desorption cycle even at the desorption temp. of 65 °C.
      >> More from SciFinder ®
      https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC2MXhs1Shtr3M&md5=f18c106c407d10d3b30f968cbca4a6a9
    19. 19
      Wei Benjamin Teo, H.; Chakraborty, A.; Fan, W. Improved Adsorption Characteristics Data for AQSOA Types Zeolites and Water Systems under Static and Dynamic Conditions. Microporous Mesoporous Mater. 2017, 242, 109– 117,  DOI: 10.1016/j.micromeso.2017.01.015
      There is no corresponding record for this reference.
    20. 20
      Aristov, Y. Concept of Adsorbent Optimal for Adsorptive Cooling/Heating. Appl. Therm. Eng. 2014, 72, 166– 175,  DOI: 10.1016/j.applthermaleng.2014.04.077
      There is no corresponding record for this reference.
    21. 21
      Dawoud, B. Water Vapor Adsorption Kinetics on Small and Full Scale Zeolite Coated Adsorbers; A Comparison. Appl. Therm. Eng. 2013, 50, 1645– 1651,  DOI: 10.1016/j.applthermaleng.2011.07.013
      There is no corresponding record for this reference.
    22. 22
      Santori, G.; Frazzica, A.; Freni, A.; Galieni, M.; Bonaccorsi, L.; Polonara, F.; Restuccia, G. Optimization and Testing on an Adsorption Dishwasher. Energy 2013, 50, 170– 176,  DOI: 10.1016/j.energy.2012.11.031
      22
      Optimization and testing on an adsorption dishwasher
      Santori, G.; Frazzica, A.; Freni, A.; Galieni, M.; Bonaccorsi, L.; Polonara, F.; Restuccia, G.
      Energy (Oxford, United Kingdom) (2013), 50 (), 170-176CODEN: ENEYDS; ISSN:0360-5442. (Elsevier Ltd.)
      This paper reports exptl. testing of an adsorption dishwasher employing different desiccants, such as 13X zeolite, microporous silica gel and SAPO-34 zeolite. Thermodn. comparison of the selected adsorbents was carried out on the basis of the exptl. measurement of the main thermo-phys. parameters, such as sp. heat, adsorption equil. curves and sorption enthalpy.A sensitivity anal. on the adsorption dishwasher parameters was carried out adopting full factorial design (FFD) on a modified dishwasher prototype. Finally, the actual energetic performance for the optimized configuration were exptl. evaluated returning a consumed elec. energy of 0.636 kWh, which is 41% lower than that of std. cycle performed by a std. dishwasher with energy label A.
      >> More from SciFinder ®
      https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC38XhvFSht7zP&md5=e9b95cb688c81bb2d2f848275c61c92c
    23. 23
      Intini, M.; Goldsworthy, M.; White, S.; Joppolo, C. M. Experimental Analysis and Numerical Modelling of an AQSOA Zeolite Desiccant Wheel. Appl. Therm. Eng. 2015, 80, 20– 30,  DOI: 10.1016/j.applthermaleng.2015.01.036
      23
      Experimental analysis and numerical modelling of an AQSOA zeolite desiccant wheel
      Intini, Manuel; Goldsworthy, Mark; White, Stephen; Joppolo, Cesare Maria
      Applied Thermal Engineering (2015), 80 (), 20-30CODEN: ATENFT; ISSN:1359-4311. (Elsevier Ltd.)
      An AQSOA zeolite based-desiccant wheel is exptl. and numerically investigated in the present work. The synthetic zeolite AQSOA benefits from a favorable S-shape isotherm whose steepest gradient zone is shifted towards higher vapor partial pressure values. An AQSOA-based desiccant wheel is exptl. characterized over a wide range of process and regeneration air inlet conditions. A one-dimensional, time-dependent numerical model is developed and calibrated using the exptl. data with root mean square deviation of 0.66 g/kg and 0.99 °C for process outlet humidity ratio and temp. resp. The model is used to investigate the influence of area ratio, process inlet temp., humidity and air face velocity on performance. It is found that equal area split is essential to achieve max. moisture removal capacity, while higher process area ratio leads to higher latent cooling, but only in the high regeneration temp. range, and moisture removal efficiency strongly depends on inlet humidity ratio with a weak dependence on process inlet temp. Non dimensional anal. is shown to be useful for identifying optimal revolution speed as a function of inlet face velocity.
      >> More from SciFinder ®
      https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC2MXit1Clurk%253D&md5=452cec88473111f28c211f56e039744c
    24. 24
      Youssef, P. G.; Mahmoud, S. M.; AL-Dadah, R. K. Performance Analysis of Four Bed Adsorption Water Desalination/Refrigeration System, Comparison of AQSOA-Z02 to Silica-Gel. Desalination 2015, 375, 100– 107,  DOI: 10.1016/j.desal.2015.08.002
      24
      Performance analysis of four bed adsorption water desalination/refrigeration system, comparison of AQSOA-Z02 to silica-gel
      Youssef, Peter G.; Mahmoud, Saad M.; Al-Dadah, Raya K.
      Desalination (2015), 375 (), 100-107CODEN: DSLNAH; ISSN:0011-9164. (Elsevier B.V.)
      Although many water desalination techniques have been introduced decades ago, there are still areas around the world suffering from fresh water shortages. The widespread of desalination technologies is limited due to their high energy consumption, cost and adverse environmental impact. Recently, adsorption technol. for water desalination has been investigated showing potential of using low temp. waste heat (50-85 °C) thus reducing energy consumption and CO2 emissions. This work math. investigates the performance of 4 bed adsorption cycle using two different adsorbents, silica-gel and an advanced zeolite material AQSOA-Z02, produced by Mitsubishi-plastics for fresh water prodn. and cooling. The work studied effects of evaporator and heat source temps. on water prodn. rate and cooling capacity. Results showed that at low chilled water temps. below 20 °C, AQSOA-Z02 outperforms silica-gel with water prodn. of 6.2 m3 of water/day and cooling of 53.7 Rton/tonne of AQSOA-Z02 compared to 3.5 m3 of water/day and 15.0 Rton/tonne of silica-gel. While, at chilled water temps. above 20 °C, AQSOA-Z02 and silica-gel have comparable performance with around 7 m3 of water/day and 60 Rton of cooling. Since cooling applications require chilled water temp. less than 20 °C, therefore AQSOA-Z02 is more suitable for applications where cooling and fresh water are needed.
      >> More from SciFinder ®
      https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC2MXhtlCgtrnI&md5=f1c3a38307732a730b5366133fdf9d13
    25. 25
      Charalambous, C.; Santori, G.; Vilarrasa-Garcia, E.; Bastos-Neto, M.; Cavalcante, C. L.; Brandani, S. Pure and Binary Adsorption of Carbon Dioxide and Nitrogen on AQSOA FAM Z02. J. Chem. Eng. Data 2018, 63, 661– 670,  DOI: 10.1021/acs.jced.7b00864
      25
      Pure and Binary Adsorption of Carbon Dioxide and Nitrogen on AQSOA FAM Z02
      Charalambous, Charithea; Santori, Giulio; Vilarrasa-Garcia, Enrique; Bastos-Neto, Moises; Cavalcante, Celio L., Jr.; Brandani, Stefano
      Journal of Chemical & Engineering Data (2018), 63 (3), 661-670CODEN: JCEAAX; ISSN:0021-9568. (American Chemical Society)
      Adsorption equil. of CO2, N2, and the CO2/N2 binary system on AQSOA FAM Z02 grains were measured over a temp. range of 295 to 348 K and over a wide range in pressure from 0.2 to 20 bar using a gravimetric method. CO2 and N2 single-component exptl. equil. measurements were regressed using the Toth equation. CO2 adsorption on AQSOA FAM Z02 reported higher loadings compared to N2 adsorption at all measured temps., with an adsorption capacity of 6.1 mmol g-1. The adsorption of the CO2/N2 binary mixt. at different gas-phase compns. (0.15/0.85, 0.50/0.50, and 0.80/0.20 mol fractions) was studied. The exptl. data were compared with the prediction of ideal adsorbed soln. theory (IAST), which also included the nonidealities in the bulk gas phase. The IAST model has shown agreement with the exptl. data with <4% av. relative error in the abs. adsorbed amt.
      >> More from SciFinder ®
      https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC1cXitF2hu7c%253D&md5=5a68013966af09aa872d957baff5161d
    26. 26
      Brandani, S. The Rigid Adsorbent Lattice Fluid Model for Pure and Mixed Gas Adsorption. AIChE J. 2019, 65, 1304– 1314,  DOI: 10.1002/aic.16504
      26
      The rigid adsorbent lattice fluid model for pure and mixed gas adsorption
      Brandani, Stefano
      AIChE Journal (2019), 65 (4), 1304-1314CODEN: AICEAC; ISSN:0001-1541. (John Wiley & Sons, Inc.)
      The ability of macroscopic models to predict correctly multicomponent systems from pure component isotherms alone remains a major challenge in adsorption engineering. A new fundamental thermodn. model for multicomponent adsorption of mols. of different size in nanoporous materials is derived from a modified lattice fluid model. Expressions for the fugacity coeffs. are derived and the resulting equil. relationships are shown to be consistent with a type I adsorption isotherm. Expressions are obtained for the satn. capacity, the Henry law const. and the adsorption energy. The model is applied to silicalite and the parameters for the adsorbent are obtained from crystal properties, the adsorption energy of n-alkanes and Henry law consts. for six gases. Model predictions for gas adsorption up to 20 bar are shown to be comparable to empirical adsorption isotherm equations. Extension to binary and quaternary systems shows good a priori predictive capability when compared to exptl. data. © 2018 American Institute of Chem. Engineers AIChE J, 2019.
      >> More from SciFinder ®
      https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC1MXht1emurs%253D&md5=8441301f95d8b94061a7ce33c9c1f4c5
    27. 27
      Hampson, J. A.; Rees, L. V. C. Adsorption of Ethane and Propane in Silicalite-1 and Zeolite NaY: Determination of Single Components, Mixture and Partial Adsorption Data Using an Isosteric System. J. Chem. Soc. Faraday Trans. 1993, 89, 3169– 3176,  DOI: 10.1039/ft9938903169
      27
      Adsorption of ethane and propane in silicalite-1 and zeolite NaY: determination of single components, mixture and partial adsorption data using an isosteric system
      Hampson, John A.; Rees, Lovat V. C.
      Journal of the Chemical Society, Faraday Transactions (1993), 89 (16), 3169-76CODEN: JCFTEV; ISSN:0956-5000.
      An isosteric method was used to measure the adsorption of ethane and propane in silicalite-1 and zeolite NaY. A full description of their binary mixt. behavior is presented for 3 mixts. of different percentage mol fraction. Single-component, mixt. and partial thermodn data were calcd. and compared.
      >> More from SciFinder ®
      https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADyaK3sXmsl2mtLk%253D&md5=98efa4d7e17a680d0143d47b2e4218d7
    28. 28
      Greenspan, L. Humidity Fixed Points of Binary Saturated Aqueous Solutions. J. Res. Natl. Bur. Stand. - A. Phys. Chem. 1977, 81A, 89– 96,  DOI: 10.6028/jres.081A.011
      There is no corresponding record for this reference.
    29. 29
      Luberti, M.; Olkis, C.; Bensted, G.; Santori, G. Water Sorption Equilibrium on 2-Hydroxyethyl-Trimethylammonium Acetate in the Temperature Range 298.25–349.55K. Fluid Phase Equilib. 2020, 522, 112758,  DOI: 10.1016/j.fluid.2020.112758
      29
      Water sorption equilibrium on 2-hydroxyethyl-trimethylammonium acetate in temperature range 298.25-349.55K
      Luberti, Mauro; Olkis, Christopher; Bensted, Grady; Santori, Giulio
      Fluid Phase Equilibria (2020), 522 (), 112758CODEN: FPEQDT; ISSN:0378-3812. (Elsevier B.V.)
      Ionic liqs. (ILs) have emerged as novel sorption materials capable to achieve exceptional water vapor uptake that is attractive for their use in heat transformation technologies. Water sorption equil. on 2-hydroxyethyl-trimethylammonium acetate or choline acetate ([Cho][OAc]) were measured at eight different temps.: 298.25, 303.25, 308.35, 318.55, 328.75, 333.85, 344.15 and 349.55 K. Equil. measurements were performed with a dynamic vapor sorption (DVS) system. With a relative humidity of around 90% a water uptake larger than 3.5 gW gIL-1 was obsd. for all the temps. The resulting type III isotherms were correlated with the Guggenheim-Anderson-de Boer (GAB) model as well as the Redlich-Kister (RK) excess Gibbs energy model. It was found that both models fit the exptl. data with great accuracy and provide an appropriate description of the water sorption equil. The regressed parameters of the RK model were also employed to predict excess properties of the binary system. Moreover, a thermodn. cycle was assessed and compared with sorbent benchmarks, highlighting a performance that makes the choline acetate/water pair a viable option in sorption chiller applications.
      >> More from SciFinder ®
      https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BB3cXhsFWhs7bI&md5=621752ffb6e2140dc913495baebff842
    30. 30
      Askalany, A. A.; Freni, A.; Santori, G. Supported Ionic Liquid Water Sorbent for High Throughput Desalination and Drying. Desalination 2019, 452, 258– 264,  DOI: 10.1016/j.desal.2018.11.002
      30
      Supported ionic liquid water sorbent for high throughput desalination and drying
      Askalany, Ahmed A.; Freni, Angelo; Santori, Giulio
      Desalination (2019), 452 (), 258-264CODEN: DSLNAH; ISSN:0011-9164. (Elsevier B.V.)
      The composite material 1-ethyl-3-methylimidazolium methanesulfonate ionic liq. in Syloid AL-1FP silica shows unprecedented water vapor sorption equil. properties. Equil. data were recorded at different loads of ionic liq. in the silica support (from 1.8%w to 60%w). At loadings >1.8%w, all the composites show type 3 isotherm, therefore conserving the vapor-liq. equil. of the bulk ionic liq./water binary system but with increased dependence between temp. and water adsorbed. This feature makes this composite material particularly suitable for thermally-driven technologies. The composite 60%w 1-ethyl-3-methylimidazolium methanesulfonate ionic liq. in 40%w Syloid AL-1FP silica shifts the performance of sorption desalination and drying processes at the unprecedented working capacity of 0.46 gwater/gsorbent (desalination) and 0.82 gwater/gsorbent (drying).
      >> More from SciFinder ®
      https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC1cXisVSntrrL&md5=84e186392e1eadc91352d686b13d02e8
    31. 31
      Sing, K. S. W.; Everett, D. H.; Haul, R. A. W.; Moscou, L.; Pierotti, R. A.; Rouquerol, J.; Siemieniewska, T. Reporting Physisorption Data for Gas/Solid Systems with Special Reference to the Determination of Surface Area and Porosity. Pure Appl. Chem. 1985, 57, 603– 619,  DOI: 10.1351/pac198557040603
      31
      Reporting physisorption data for gas/solid systems with special reference to the determination of surface area and porosity (Recommendations 1984)
      Sing, K. S. W.; Everett, D. H.; Haul, R. A. W.; Moscou, L.; Pierotti, R. A.; Rouquerol, J.; Siemieniewska, T.
      Pure and Applied Chemistry (1985), 57 (4), 603-19CODEN: PACHAS; ISSN:0033-4545.
      Problems and ambiguities in reporting data are discussed. Procedures and terminol. for reporting data re recommended.
      >> More from SciFinder ®
      https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADyaL2MXhvFWrtb4%253D&md5=4fbbea83b3a13b5f22e6d26e5d0ab20c
    32. 32
      Mosquera, M. A. Simple Isotherm Equations to Fit Type I Adsorption Data. Fluid Phase Equilib. 2013, 337, 174– 182,  DOI: 10.1016/j.fluid.2012.09.010
      32
      Simple isotherm equations to fit type I adsorption data
      Mosquera, Martin A.
      Fluid Phase Equilibria (2013), 337 (), 174-182CODEN: FPEQDT; ISSN:0378-3812. (Elsevier B.V.)
      We propose that the Hill model of adsorption can be used to fit type I adsorption isotherms in general. The main assumption that allows us to apply this model empirically is that the adsorbate phase can be divided into identical and non-interacting effective subsystems. This gives rise to a simple multiparametric isotherm based on the grand canonical ensemble statistics, whose functional form is a ratio of two polynomial functions. The parameters are interpreted as adsorption equil. consts. A simple recurrence relation for the equil. consts. is proposed for systems that show an apparent variation in the coverage limit with temp. This relation avoids overparametrization and improves fitting deviations. We revisit a simplified isotherm derived by Ruthven and show that it can also be applied to heterogeneous systems. We also show how to use the isotherms of Hill and Ruthven, along with the recurrence relation shown in this work, to fit the adsorption data to obtain parameters with statistical significance. Due to their high accuracy, both isotherm equations can be used to est. thermodn. properties like isosteric and differential heats of adsorption. Finally, several applications to fitting data, taken from literature, of adsorption of some gases on activated carbon, mol. sieving carbon, silica gel, and pillared clays are presented.
      >> More from SciFinder ®
      https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC38XhvVGlsbvO&md5=b4ace15e7e360303bbdccd5fbcdc00e0
    33. 33
      Ruthven, D. M. Simple Theoretical Adsorption Isotherm for Zeolites. Nat. Phys. Sci. 1971, 232, 70– 71,  DOI: 10.1038/physci232070a0
      33
      Simple theoretical adsorption isotherm for zeolites
      Ruthven, D. M.
      Nature (London), Physical Science (1971), 232 (29), 70-1CODEN: NPSCA6; ISSN:0300-8746.
      A theoretical adsorption isotherm for zeolites is derived by using the principles of statistical thermodynamics and is obsd. to be a good fit to the exptl. data for the sorption of propane in Linde 5A zeolite at 85°. The theoretical and exptl. isotherms agree well for 0-65% satn., and equally good agreement was obsd. at other temps. with other hydrocarbon sorbates.
      >> More from SciFinder ®
      https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADyaE3MXkvVSmuro%253D&md5=dde94c622dd5c3dd588f73f42041c5c0
    34. 34
      Verbraeken, M. C.; Brandani, S. A Priori Predictions of Type I and Type V Isotherms by the Rigid Adsorbent Lattice Fluid. Adsorption 2020, 26, 989– 1000,  DOI: 10.1007/s10450-019-00174-7
      34
      A priori predictions of type I and type V isotherms by the rigid adsorbent lattice fluid
      Verbraeken, Maarten C.; Brandani, Stefano
      Adsorption (2020), 26 (7), 989-1000CODEN: ADSOFO; ISSN:0929-5607. (Springer)
      Adsorbents exhibiting non type I adsorption behavior are becoming increasingly more important in industrial applications, such as drying and gas sepn. The ability to model these processes is essential in process optimization and intensification, but requires an accurate description of the adsorption isotherms under a range of conditions. Here we describe how the Rigid Adsorbent Lattice Fluid is capable of a priori predictions both type I and type V adsorption behavior in silicalite-1. The predictions are consistent with exptl. observations for aliph. (type I) and polar (type V) mols. in this hydrophobic material. Type V behavior is related to mol. clustering and the paper discusses the model parameters governing the presence/absence of this behavior in the predicted isotherms. It is found that both the solid porosity and the adsorbate interaction energy/energy d. are deciding factors for the isotherm shape. Importantly, the model, while thermodynamically consistent, is macroscopic and thus computationally light and requires only a small no. of phys. meaningful parameters.
      >> More from SciFinder ®
      https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC1MXit1ajt7nJ&md5=dd898f94dc90a022f3e994fd5875180b
    35. 35
      Verbraeken, M. C.; Brandani, S. Predictions of Stepped Isotherms in Breathing Adsorbents by the Rigid Adsorbent Lattice Fluid. J. Phys. Chem. C 2019, 123, 14517– 14529,  DOI: 10.1021/acs.jpcc.9b02977
      35
      Predictions of Stepped Isotherms in Breathing Adsorbents by the Rigid Adsorbent Lattice Fluid
      Verbraeken, Maarten C.; Brandani, Stefano
      Journal of Physical Chemistry C (2019), 123 (23), 14517-14529CODEN: JPCCCK; ISSN:1932-7447. (American Chemical Society)
      Adsorbents that undergo structural changes in the presence of adsorbate mols. are an interesting new class of materials, which could offer enhanced selectivity, purity, and recovery in sepn. technol. To date, however, their application in such technol. is hampered by the lack of a simple, consistent thermodn. framework, which can effectively describe and predict their adsorption behavior under a range of conditions. This becomes esp. true for their behavior in multicomponent adsorbate mixts., for which exptl. data are limited and cumbersome to obtain. Here, we present how the relatively simple rigid adsorbent lattice fluid model successfully and accurately predicts stepped isotherms in the breathing metal-org. framework, MIL-53 (Al), in the presence of CO2 and CH4. Breathing transitions are predicted solely on the basis of the different densities of the material's two structural configurations and their assocd. Gibbs energies. Hysteresis effects can easily be included by considering the structures' osmotic stress, which can be calcd. readily from the lattice fluid expressions. The model can be parameterized with a min. of exptl. or simulated data, subsequently becoming predictive, and because the model has its origins in statistical mechanics, no prior assumptions, such as Langmuir-type behavior, are required, presenting a major advantage over existing (semi)-empirical models. The approach shown in this study should furthermore be generic and should equally well apply to other flexible adsorbents.
      >> More from SciFinder ®
      https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC1MXpvVChurY%253D&md5=40960b366832cea5ce51b553f1d4b52b
    36. 36
      Thommes, M.; Kaneko, K.; Neimark, A. V.; Olivier, J. P.; Rodriguez-Reinoso, F.; Rouquerol, J.; Sing, K. S. W. Physisorption of Gases, with Special Reference to the Evaluation of Surface Area and Pore Size Distribution (IUPAC Technical Report). Pure Appl. Chem. 2015, 87, 1051– 1069,  DOI: 10.1515/pac-2014-1117
      36
      Physisorption of gases, with special reference to the evaluation of surface area and pore size distribution (IUPAC Technical Report)
      Thommes, Matthias; Kaneko, Katsumi; Neimark, Alexander V.; Olivier, James P.; Rodriguez-Reinoso, Francisco; Rouquerol, Jean; Sing, Kenneth S. W.
      Pure and Applied Chemistry (2015), 87 (9-10), 1051-1069CODEN: PACHAS; ISSN:0033-4545. (Walter de Gruyter, Inc.)
      Gas adsorption is an important tool for the characterization of porous solids and fine powders. Major advances in recent years have made it necessary to update the 1985 IUPAC manual on Reporting Physisorption Data for Gas/Solid Systems. The aims of the present document are to clarify and standardise the presentation, nomenclature and methodol. assocd. with the application of physisorption for surface area assessment and pore size anal. and to draw attention to remaining problems in the interpretation of physisorption data.
      >> More from SciFinder ®
      https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A528%3ADC%252BC2MXhs1Chtr3I&md5=5d051d4996b2f4e47cf484a9f93e128f
    37. 37
      De Angelis, M. G.; Sarti, G. C. Solubility of Gases and Liquids in Glassy Polymers. Annu. Rev. Chem. Biomol. Eng. 2011, 2, 97– 120,  DOI: 10.1146/annurev-chembioeng-061010-114247
      37
      Solubility of gases and liquids in glassy polymers
      De Angelis Maria Grazia; Sarti Giulio C
      Annual review of chemical and biomolecular engineering (2011), 2 (), 97-120 ISSN:1947-5438.
      This review discusses a macroscopic thermodynamic procedure to calculate the solubility of gases, vapors, and liquids in glassy polymers that is based on the general procedure provided by the nonequilibrium thermodynamics for glassy polymers (NET-GP) method. Several examples are presented using various nonequilibrium (NE) models including lattice fluid (NELF), statistical associating fluid theory (NE-SAFT), and perturbed hard sphere chain (NE-PHSC). Particular applications illustrate the calculation of infinite-dilution solubility coefficients in different glassy polymers and the prediction of solubility isotherms for different gases and vapors in pure polymers as well as in polymer blends. The determination of model parameters is discussed, and the predictive abilities of the models are illustrated. Attention is also given to the solubility of gas mixtures and solubility isotherms in nanocomposite mixed matrices. The fractional free volume determined from solubility data can be used to correlate solute diffusivities in mixed matrices.
      >> More from SciFinder ®
      https://chemport.cas.org/services/resolver?origin=ACS&resolution=options&coi=1%3ACAS%3A280%3ADC%252BC38votVaiug%253D%253D&md5=dd838b0ab34f4b0fc902eb1babd5f330
    38. 38
      James, F. Function Minimization and Error Analysis. CERN Program Library Long Writeup D506; CERN: Geneva, Switzerland, 1998. https://cdsweb.cern.ch/record/2296388/files/minuit.pdf.
      There is no corresponding record for this reference.

  • Supporting Information

    Supporting Information

    The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acs.jced.1c00942.

    • Ar isotherm at 87 K and corresponding pore size distribution; dynamic responses of the Aquadyne system at 30 and 70 °C; detailed uncertainty analysis; tabulated values of data not included in Table 3; summary table of the isotherm data with uncertainties included (PDF)

    • Isotherm data (ZIP)


    Terms & Conditions

    Most electronic Supporting Information files are available without a subscription to ACS Web Editions. Such files may be downloaded by article for research use (if there is a public use license linked to the relevant article, that license may permit other uses). Permission may be obtained from ACS for other uses through requests via the RightsLink permission system: http://pubs.acs.org/page/copyright/permissions.html.