Search in:

Molecular Physics

An International Journal at the Interface Between Chemistry and Physics

Volume 121, 2023 - Issue 19-20: Thermodynamics 2022 Conference

Submit an article Journal homepage

Open access

961

Views

CrossRef citations to date

Altmetric

Thermodynamics 2022 Special Issue (by invitation only)

Modelling of adsorbate-size dependent explicit isotherms using a segregated approach to account for surface heterogeneities

Shrinjay Sharmaa Engineering Thermodynamics, Process & Energy Department, Faculty of Mechanical, Maritime and Materials Engineering, Delft University of Technology, Delft, The NetherlandsView further author information

Marcello S. Riguttob Shell Global Solutions International B.V., Amsterdam, The NetherlandsView further author information

Richard Baurb Shell Global Solutions International B.V., Amsterdam, The NetherlandsView further author information

Umang Agarwalb Shell Global Solutions International B.V., Amsterdam, The NetherlandsView further author information

Erik Zuidemab Shell Global Solutions International B.V., Amsterdam, The NetherlandsView further author information

Salvador R. G. Balestrac Department of Physical, Chemical and Natural Systems, Universidad Pablo de Olavide, Sevilla, Spain

https://orcid.org/0000-0002-2163-2782 View further author information

Sofia Calerod Department of Applied Physics, Eindhoven University of Technology, Eindhoven, The NetherlandsView further author information

David Dubbeldame Van't Hoff Institute of Molecular Sciences, University of Amsterdam, Amsterdam, The NetherlandsView further author information

Thijs J. H. Vlugta Engineering Thermodynamics, Process & Energy Department, Faculty of Mechanical, Maritime and Materials Engineering, Delft University of Technology, Delft, The NetherlandsCorrespondence[email protected]

https://orcid.org/0000-0003-3059-8712 View further author information

show all

Article: e2183721 | Received 04 Dec 2022, Accepted 15 Feb 2023, Published online: 17 Mar 2023

Cite this article
https://doi.org/10.1080/00268976.2023.2183721
CrossMark

Full Article
Figures & data
References
Citations
Metrics
Licensing
Reprints & Permissions
View PDF PDF View EPUB EPUB

References

C.L. Cavalcante, Lat. Am. Appl. Res. 30, 357–364 (2000).
Web of Science ®Google Scholar
P. Pullumbi, F. Brandani and S. Brandani, Curr. Opin. Chem. Eng. 24, 131–142 (2019). doi:10.1016/j.coche.2019.04.008.
Web of Science ®Google Scholar
Q.U. Jiuhui, J. Environ. Sci. 20 (1), 1–13 (2008). doi:10.1016/S1001-0742(08)60001-7.
Web of Science ®Google Scholar
M.A. Alghoul, M.Y. Sulaiman, B.Z. Azmi, K. Sopian and M.A. Wahab, Anti-Corros. Method. M 54, 225–229 (2007). doi:10.1108/00035590710762366.
Web of Science ®Google Scholar
C.H. Yu, C.H. Huang and C.S. Tan, Aerosol. Air. Qual. Res. 12, 745–769 (2012). doi:10.4209/aaqr.2012.05.0132.
Web of Science ®Google Scholar
W. John Thomas and B. Crittenden, Adsorption Technology and Design (Butterworth-Heinemann, Woburn, 1998).
Google Scholar
A. Poursaeidesfahani, E. Andres-Garcia, M. de Lange, A. Torres-Knoop, M. Rigutto, N. Nair, F. Kapteijn, J. Gascon, D. Dubbeldam and T.J.H. Vlugt, Microporous. Mesoporous. Mater. 277, 237–244 (2019). doi:10.1016/j.micromeso.2018.10.037.
Web of Science ®Google Scholar
D. Frenkel and B. Smit, Understanding Molecular Simulation: From Algorithms to Applications (Academic Press, San Diego, 2002).
Google Scholar
E.C. Markham and A.F. Benton, J. Am. Chem. Soc. 53, 497–507 (1931). doi:10.1021/ja01353a013.
Google Scholar
A.L. Myers and J.M. Prausnitz, AICHE J 11, 121–127 (1965). doi:10.1002/(ISSN)1547-5905.
Web of Science ®Google Scholar
K.S. Walton and D.S. Sholl, AICHE J 61, 2757–2762 (2015). doi:10.1002/aic.14878.
Web of Science ®Google Scholar
O. Talu and I. Zwiebel, AICHE J 32, 1263–1276 (1986). doi:10.1002/(ISSN)1547-5905.
Web of Science ®Google Scholar
A. Erto, A. Lancia and D. Musmarra, Microporous. Mesoporous. Mater. 154, 45–50 (2012). doi:10.1016/j.micromeso.2011.10.041.
Web of Science ®Google Scholar
R. Krishna and J.M. van Baten, ACS Omega 6, 15499–15513 (2021). doi:10.1021/acsomega.1c02136.
PubMed Web of Science ®Google Scholar
H. Renon and J.M. Prausnitz, AICHE J 14, 135–144 (1968). doi:10.1002/(ISSN)1547-5905.
Web of Science ®Google Scholar
G.M. Wilson, J. Am. Chem. Soc. 86, 127–130 (1964). doi:10.1021/ja01056a002.
Web of Science ®Google Scholar
A. Fredenslund, R.L. Jones and J.M. Prausnitz, AICHE J 21, 1086–1099 (1975). doi:10.1002/(ISSN)1547-5905.
Web of Science ®Google Scholar
Y.G. Chung, P. Bai, M. Haranczyk, K.T. Leperi, P. Li, H. Zhang, T.C. Wang, T. Duerinck, F. You and J.T. Hupp, Chem. Mater. 29, 6315–6328 (2017). doi:10.1021/acs.chemmater.7b01565.
Web of Science ®Google Scholar
R. Krishna, Sep. Purif. Technol. 194, 281–300 (2018). doi:10.1016/j.seppur.2017.11.056.
Web of Science ®Google Scholar
D.D. Do, Adsorption Analysis: Equilibria and Kinetics (with CD Containing Computer MATLAB Programs), Series On Chemical Engineering (World Scientific Publishing, London, 1998).
Google Scholar
R.A. Koble and T.E. Corrigan, Ind. Eng. Chem. 44, 383–387 (1952). doi:10.1021/ie50506a049.
Web of Science ®Google Scholar
J.A. Swisher, L.C. Lin, J. Kim and B. Smit, AICHE J 59, 3054–3064 (2013). doi:10.1002/aic.14058.
Web of Science ®Google Scholar
R. Krishna and J.M. van Baten, Sep. Purif. Technol. 61, 414–423 (2008). doi:10.1016/j.seppur.2007.12.003.
Web of Science ®Google Scholar
R. Krishna and J.M. van Baten, Chem. Phys. Lett. 446, 344–349 (2007). doi:10.1016/j.cplett.2007.08.060.
Web of Science ®Google Scholar
S. Sircar, Ind. Eng. Chem. Res. 30, 1032–1039 (1991). doi:10.1021/ie00053a027.
Web of Science ®Google Scholar
D.P. Valenzuela, A.L. Myers, O. Talu and I. Zwiebel, AICHE J 34, 397–402 (1988). doi:10.1002/(ISSN)1547-5905.
Web of Science ®Google Scholar
K. Wang, S. Qiao and X. Hu, Sep. Purif. Technol. 20, 243–249 (2000). doi:10.1016/S1383-5866(00)00087-3.
Web of Science ®Google Scholar
H. Moon and C. Tien, Chem. Eng. Sci. 43, 2967–2980 (1988). doi:10.1016/0009-2509(88)80050-2.
Web of Science ®Google Scholar
J.A. Ritter, S.J. Bhadra and A.D. Ebner, Langmuir 27, 4700–4712 (2011). doi:10.1021/la104965w.
PubMed Web of Science ®Google Scholar
A. Tarafder and M. Mazzotti, Chem. Eng. Technol. 35, 102–108 (2012). doi:10.1002/ceat.201100274.
Web of Science ®Google Scholar
U. Agarwal, M.S. Rigutto, E. Zuidema, A. Jansen, A. Poursaeidesfahani, S. Sharma, D. Dubbeldam and T.J.H. Vlugt, J. Catal. 415, 37–50 (2022). doi:10.1016/j.jcat.2022.09.026.
Web of Science ®Google Scholar
D.M. Ruthven, Principles of Adsorption and Adsorption Processes (John Wiley & Sons, New York, 1984).
Google Scholar
T.R.C. Van Assche, G.V. Baron and J.F.M. Denayer, Ind. Eng. Chem. Res. 60, 12092–12099 (2021). doi:10.1021/acs.iecr.1c01657.
Web of Science ®Google Scholar
T.R.C. Van Assche, G.V. Baron and J.F.M. Denayer, Adsorption 24, 517–530 (2018). doi:10.1007/s10450-018-9962-1.
Web of Science ®Google Scholar
R. Krishna and J.M. van Baten, Sep. Purif. Technol. 76, 325–330 (2011). doi:10.1016/j.seppur.2010.10.023.
Web of Science ®Google Scholar
Z. Du, G. Manos, T.J.H. Vlugt and B. Smit, AICHE J 44, 1756–1764 (1998). doi:10.1002/(ISSN)1547-5905.
Web of Science ®Google Scholar
R. Krishna, B. Smit and S. Calero, Chem. Soc. Rev. 31, 185–194 (2002). doi:10.1039/b101267n.
PubMed Web of Science ®Google Scholar
E. García-Pérez, I. Torrens, S. Lago, D. Dubbeldam, T.J.H. Vlugt, T.L. Maesen, B. Smit, R. Krishna and S. Calero, Appl. Surf. Sci. 252, 716–722 (2005). doi:10.1016/j.apsusc.2005.02.103.
Web of Science ®Google Scholar
Dynamic sorption methods (2022). https://www.dynamicsorption.com/dynamic-sorption-method/ .
Google Scholar
S. Sircar, Adsorption 23, 121–130 (2017). doi:10.1007/s10450-016-9839-0.
Web of Science ®Google Scholar
C. Simon, B. Smit and M. Haranczyk, Comput. Phys. Commun. 200, 364–380 (2016). doi:10.1016/j.cpc.2015.11.016.
Web of Science ®Google Scholar
T.J.H. Vlugt, W. Zhu, F. Kapteijn, J. Moulijn, B. Smit and R. Krishna, J. Am. Chem. Soc. 120, 5599–5600 (1998). doi:10.1021/ja974336t.
Web of Science ®Google Scholar
T.J.H. Vlugt, R. Krishna and B. Smit, J. Phys. Chem. B 103, 1102–1118 (1999). doi:10.1021/jp982736c.
Web of Science ®Google Scholar
R. Krishna, B. Smit and T.J.H. Vlugt, J. Phys. Chem. A 102, 7727–7730 (1998). doi:10.1021/jp982438f.
Web of Science ®Google Scholar
R.L. Burden and J.D. Faires, Numerical Analysis, Mathematics Series (PWS-Kent Publishing Company, Boston, 1993).
Google Scholar
W. Kast, Adsorption Aus Der Gasphase. Ingenieurwissenschaftliche Grundlagen und Technische Verfahren (Verlag Chemie, Weinheim, Germany, 1988).
Google Scholar
R.T. Yang, Adsorbents: Fundamentals and Applications (John Wiley & Sons, New Jersey, 2003).
Google Scholar
R. Krishna and R. Baur, Sep. Purif. Technol. 33, 213–254 (2003). doi:10.1016/S1383-5866(03)00008-X.
Web of Science ®Google Scholar
E. Glueckauf, Trans. Faraday Soc. 51, 1540–1551 (1955). doi:10.1039/TF9555101540.
Google Scholar
A. Özdural, in Comprehensive Biotechnology, edited by M. Moo-Young, 2nd ed. (Academic Press, Burlington, 2011), pp. 681–695.
Google Scholar
D. Dubbeldam, S. Calero, D.E. Ellis and R.Q. Snurr, Mol. Simul. 42, 81–101 (2016). doi:10.1080/08927022.2015.1010082.
Web of Science ®Google Scholar
D. Dubbeldam, A. Torres-Knoop and K.S. Walton, Mol. Simul. 39, 1253–1292 (2013). doi:10.1080/08927022.2013.819102.
Web of Science ®Google Scholar
P.P. Ewald, Ann. Phys. 369, 253–287 (1921). doi:10.1002/(ISSN)1521-3889.
Google Scholar
A. Garcia-Sanchez, C.O. Ania, J.B. Parra, D. Dubbeldam, T.J.H. Vlugt, R. Krishna and S. Calero, J. Phys. Chem. C 113, 8814–8820 (2009). doi:10.1021/jp810871f.
Web of Science ®Google Scholar
D. Dubbeldam, S. Calero, T.J.H. Vlugt, R. Krishna, T.L.M. Maesen and B. Smit, J. Phys. Chem. C108, 12301–12313 (2004). doi:10.1021/jp0376727.
Web of Science ®Google Scholar
P. Bai, M. Tsapatsis and J.I. Siepmann, J. Phys. Chem. C 117, 24375–24387 (2013). doi:10.1021/jp4074224.
Web of Science ®Google Scholar
M.G. Martin and J.I. Siepmann, J. Phys. Chem. C 102, 2569–2577 (1998). doi:10.1021/jp972543+.
Web of Science ®Google Scholar
D. Dubbeldam, S. Calero and T.J.H. Vlugt, Mol. Simul. 44, 653–676 (2018). doi:10.1080/08927022.2018.1426855.
Web of Science ®Google Scholar
W.E. Schiesser, The Numerical Method of Lines: Integration of Partial Differential Equations (Academic Press, San Diego, 2012).
Google Scholar
J.D. Anderson and J. Wendt, Computational Fluid Dynamics, Volume 206 (McGraw-Hill, New York, 1995).
Google Scholar
H.P. Langtangen and S. Linge, Finite Difference Computing with PDEs: A Modern Software Approach (Springer Nature, Cham, 2017).
Google Scholar
C.W. Shu and S. Osher, J. Comput. Phys. 77, 439–471 (1988). doi:10.1016/0021-9991(88)90177-5.
Web of Science ®Google Scholar
D.I. Ketcheson, SIAM. J. Sci. Comput. 30, 2113–2136 (2008). doi:10.1137/07070485X.
Web of Science ®Google Scholar
H.O.R. Landa, Development of an efficient method for simulating fixed-bed adsorption dynamics using ideal adsorbed solution theory, Ph.D. diss., Otto von Guericke Universität Magdeburg, 2016.
Google Scholar

Share icon
Back to Top

Related research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.

People also read
Recommended articles
Cited by

To cite this article:

Reference style: APA Chicago Harvard

Citation copied to clipboard

Reference styles above use APA (6th edition), Chicago (16th edition) & Harvard (10th edition)

Download citation

Download a citation file in RIS format that can be imported by citation management software including EndNote, ProCite, RefWorks and Reference Manager.

Choose format: RIS BibTex RefWorks Direct Export

Choose options: Citation Citation & abstract Citation & references

Modelling of adsorbate-size dependent explicit isotherms using a segregated approach to account for surface heterogeneities

References

Information for

Open access

Opportunities

Help and information

Your download is now in progress and you may close this window

Login or register to access this feature

Modelling of adsorbate-size dependent explicit isotherms using a segregated approach to account for surface heterogeneities

References

Related research

To cite this article:

Download citation

Information for

Open access

Opportunities

Help and information

Keep up to date