Exploring the adsorption behavior of molecular hydrogen on CHA-zeolite by comparing the performance of various force field methods-Reference-Cited by-同舟云学术

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Exploring the adsorption behavior of molecular hydrogen on CHA-zeolite by comparing the performance of various force field methods

Published:2023 Issue:44 Volume:13 Page:30937-30950
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Aziz Muhammad Tariq¹,Naqvi Syed Ali Raza¹,Janjua Muhammad Ramzan Saeed Ashraf¹^ORCID,Alam Manawwer²,Gill Waqas Amber³^ORCID

Affiliation:

1. Department of Chemistry, Government College University Faisalabad, Faisalabad 38000, Pakistan

2. Department of Chemistry, College of Science, King Saud University, Riyadh 11451, Saudi Arabia

3. Departamento de Química Física, Universidad de Valencia, Avda Dr Moliner, 50, E-46100 Burjassot, Valencia, Spain

Abstract

We employed various force field methods to identify the interaction potential that provides the best match for this particular kind of adsorption .

Funder

King Saud University

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/RA/D3RA04262F

Reference71 articles.

1. Designer Metal–Organic Frameworks for Size‐Exclusion‐Based Hydrocarbon Separations: Progress and Challenges

2. Embryonic zeolite-assisted synthesis of SSZ-13 with superior efficiency and their excellent catalytic performance

3. Adsorption of volatile organic compounds in pure silica CHA, ∗BEA, MFI and STT-type zeolites

4. Length exclusion in the adsorption of chain molecules on chabazite type zeolites

5. Alkali Metal Cations Influence the CO₂ Adsorption Capacity of Nanosized Chabazite: Modeling vs Experiment

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1. AI-driven development of high-performance solid-state hydrogen storage;Energy Reviews;2024-08

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