Molecular dynamics study of CO2 absorption and desorption in zinc imidazolate frameworks-Reference-Cited by-同舟云学术

Molecular dynamics study of CO2 absorption and desorption in zinc imidazolate frameworks

Published:2017 Issue:4 Volume:2 Page:457-469
ISSN:2058-9689
Container-title:Molecular Systems Design & Engineering
language:en
Short-container-title:Mol. Syst. Des. Eng.

Author:

Gao Min¹²³⁴,Misquitta Alston J.¹²³⁴,Yang Chenxing¹²³⁴,Todorov Ilian T.⁵⁶⁷⁸⁴,Mutter Andreas⁹¹⁰¹¹⁴,Dove Martin T.¹²³⁴

Affiliation:

1. School of Physics and Astronomy, and Materials Research Institute

2. Queen Mary University of London

3. London

4. UK

5. Scientific Computing Department

6. STFC Daresbury Laboratory

7. Sci-Tech Daresbury

8. Daresbury

9. Department of Earth Sciences

10. University of Cambridge

11. Cambridge

Abstract

We report a study of the absorption of CO₂ into a number of zinc imidazolate framework structures, and subsequent desorption, using the molecular dynamics simulation method with force fields partly developed by ourselves.

Funder

Engineering and Physical Sciences Research Council

China Scholarship Council

H2020 Marie Skłodowska-Curie Actions

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,Industrial and Manufacturing Engineering,Process Chemistry and Technology,Energy Engineering and Power Technology,Biomedical Engineering,Chemical Engineering (miscellaneous),Chemistry (miscellaneous)

Link

http://pubs.rsc.org/en/content/articlepdf/2017/ME/C7ME00034K

Reference32 articles.

1. An organic solid with wide channels based on hydrogen bonding between macrocycles

2. Hydrothermal Synthesis of a Metal-Organic Framework Containing Large Rectangular Channels

3. Carbon Dioxide Capture in Metal–Organic Frameworks

4. Exceptional chemical and thermal stability of zeolitic imidazolate frameworks

Cited by 8 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. Thermodynamics and collective modes in hydrogen-bonded fluids;The Journal of Chemical Physics;2024-03-15

2. Double universality of the transition in the supercritical state;Science Advances;2022-08-12

3. Experimental and modeling evidence for structural crossover in supercritical CO2;Physical Review E;2020-05-12

4. A multi-scale modeling and simulation study to investigate the effect of roughness of a surface on its self-cleaning performance;Molecular Systems Design & Engineering;2020

5. Adsorption-induced clustering of CO2 on graphene;Physical Chemistry Chemical Physics;2020