An Efficient Molecular Simulation Methodology for Chemical Reaction Equilibria in Electrolyte Solutions: Application to CO2 Reactive Absorption-Reference-Cited by-同舟云学术

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An Efficient Molecular Simulation Methodology for Chemical Reaction Equilibria in Electrolyte Solutions: Application to CO2 Reactive Absorption

Published:2019-04-05 Issue:18 Volume:123 Page:4074-4086
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Noroozi Javad¹,Smith William R.¹²³^ORCID

Affiliation:

1. Department of Chemical Engineering, University of Waterloo, Waterloo, Ontario N2L 3G1, Canada

2. Department of Mathematics and Statistics, University of Guelph, Guelph, Ontario N1G 2W1, Canada

3. Faculty of Science, University of Ontario Institute of Technology, Oshawa, Ontario L1H 7K4, Canada

Funder

Natural Sciences and Engineering Research Council of Canada

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.9b00302

Reference68 articles.

1. The Debye-Hückel theory and its importance in modeling electrolyte solutions

2. Solvent Development for Post-Combustion CO2 Capture: Recent Development and Opportunities

3. Alternative pathways for efficient CO2 capture by hybrid processes—A review

4. The solubility of CO2in a 30 mass percent monoethanolamine solution

Cited by 9 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. Heat Capacity of CO₂-Loaded Aqueous Methyldiethanolamine + Piperazine + Sulfolane Solutions;Journal of Chemical & Engineering Data;2024-06-12

2. Solving Chemical Absorption Equilibria using Free Energy and Quantum Chemistry Calculations: Methodology, Limitations, and New Open-Source Software;Journal of Chemical Theory and Computation;2023-04-20

3. Force-Field-Based Computational Study of the Thermodynamics of a Large Set of Aqueous Alkanolamine Solvents for Post-Combustion CO2 Capture;Journal of Chemical Information and Modeling;2021-08-26

4. Quantitative Kinetic Model of CO2 Absorption in Aqueous Tertiary Amine Solvents;Journal of Chemical Information and Modeling;2021-03-12

5. Ideal-Gas Thermochemical Properties for Alkanolamine and Related Species Involved in Carbon-Capture Applications;Journal of Chemical & Engineering Data;2021-03-12

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