Classical density functional theory reveals structural information of H2 and CH4 fluids adsorbed in MOF-5-Reference-Cited by-同舟云学术

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Classical density functional theory reveals structural information of H2 and CH4 fluids adsorbed in MOF-5

Published:2023-11 Issue: Volume:574 Page:113887
ISSN:0378-3812
Container-title:Fluid Phase Equilibria
language:en
Short-container-title:Fluid Phase Equilibria

Author:

do A. Soares Elvis,Barreto Amaro G.,Tavares Frederico W.^ORCID

Funder

Agência Nacional do Petróleo, Gás Natural e Biocombustíveis

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Shell Brasil Ltda

Petrobras

Shell

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Fundação Carlos Chagas Filho de Amparo à Pesquisa do Estado do Rio de Janeiro

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy,General Chemical Engineering

Reference79 articles.

1. Outlook and challenges for hydrogen storage in nanoporous materials;Broom;Appl. Phys. A,2016

2. In silico design of microporous polymers for chemical separations and storage;Anstine;Curr. Opin. Chem. Eng.,2022

3. Recent advances in gas storage and separation using metal–organic frameworks;Li;Mater. Today,2018

4. Carbon capture and conversion using metal–organic frameworks and MOF-based materials;Ding;Chem. Soc. Rev.,2019

5. MOF-based membranes for gas separations;Qian;Chem. Rev.,2020

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1. Classical density functional theory of confined fluids: From getting started to modern applications;Fluid Phase Equilibria;2024-11

2. 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

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

4. Classical Density Functional Theory Consistent with the SAFT-VR Mie Equation of State: Development of Functionals and Application to Confined Fluids;Journal of Chemical & Engineering Data;2024-04-10

5. Investigating the properties of the water−vapor and water−graphite interfaces by PC-SAFT based density functional theory: A comparative study of different association functionals and PC-SAFT water parameter sets;Journal of Molecular Liquids;2024-03

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