Prediction of Adsorption Isotherms and Selectivities: Comparison between Classical Density Functional Theory Based on the Perturbed-Chain Statistical Associating Fluid Theory Equation of State and Ideal Adsorbed Solution Theory-Reference-Cited by-同舟云学术

Prediction of Adsorption Isotherms and Selectivities: Comparison between Classical Density Functional Theory Based on the Perturbed-Chain Statistical Associating Fluid Theory Equation of State and Ideal Adsorbed Solution Theory

Published:2019-08-12 Issue:36 Volume:35 Page:11690-11701
ISSN:0743-7463
Container-title:Langmuir
language:en
Short-container-title:Langmuir

Author:

Sauer Elmar¹,Gross Joachim¹^ORCID

Affiliation:

1. Institute of Thermodynamics and Thermal Process Engineering, University of Stuttgart, Pfaffenwaldring 9, 70569 Stuttgart, Germany

Funder

Deutsche Forschungsgemeinschaft

Publisher

American Chemical Society (ACS)

Subject

Electrochemistry,Spectroscopy,Surfaces and Interfaces,Condensed Matter Physics,General Materials Science

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.langmuir.9b02378

Reference113 articles.

1. The role of molecular modeling in confined systems: impact and prospects

2. Density functional theory for chemical engineering: From capillarity to soft materials

3. Recent advances in classical density functional theory for associating and polyatomic molecules

4. New developments in classical density functional theory

5. The nature of the liquid-vapour interface and other topics in the statistical mechanics of non-uniform, classical fluids

Cited by 39 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Classical density functional theory in three dimensions with GPU-accelerated automatic differentiation: Computational performance analysis using the example of adsorption in covalent-organic frameworks;Chemical Engineering Science;2024-10

2. Adsorption Modeling Based on Classical Density Functional Theory and PC-SAFT: Temperature Extrapolation and Fluid Transfer;Industrial & Engineering Chemistry Research;2024-08-01

3. Tackling antibiotic contaminations in wastewater with novel Modified-MOF nanostructures: A study of molecular simulations and DFT calculations;Environmental Research;2024-07

4. Evaluation of methane adsorption isotherms at ambient temperature on carbon materials from NLDFT pore size analysis derived from standard N2 and CO2 adsorption isotherms;Chemical Engineering Research and Design;2024-07

5. Generic low-density corrections to the equation of state of chain molecules with repulsive intermolecular forces;The Journal of Chemical Physics;2024-05-01