Rapid screening of gas solubility in ionic liquids using biased particle insertions with pre-sampled liquid trajectories-Reference-Cited by-同舟云学术

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Rapid screening of gas solubility in ionic liquids using biased particle insertions with pre-sampled liquid trajectories

Published:2023-10-17 Issue:1 Volume:50 Page:26-42
ISSN:0892-7022
Container-title:Molecular Simulation
language:en
Short-container-title:Molecular Simulation

Author:

Smith Ryan W.¹,Maginn Edward J.¹^ORCID

Affiliation:

1. Department of Chemical and Biomolecular Engineering, University of Notre Dame, Notre Dame, IN, USA

Funder

EFRI DChem: Next-generation Low Global Warming Refrigerants

Publisher

Informa UK Limited

Subject

Condensed Matter Physics,General Materials Science,General Chemical Engineering,Modeling and Simulation,Information Systems,General Chemistry

Link

https://www.tandfonline.com/doi/pdf/10.1080/08927022.2023.2268752

Reference31 articles.

1. The solubility of gases in ionic liquids

2. Screening of Metal−Organic Frameworks for Carbon Dioxide Capture from Flue Gas Using a Combined Experimental and Modeling Approach

3. High-Throughput Screening of MOF Adsorbents and Membranes for H2 Purification and CO2 Capture

4. Some Topics in the Theory of Fluids

5. Grand-Canonical Monte Carlo and Molecular-Dynamics Simulations of Carbon-Dioxide and Carbon-Monoxide Adsorption in Zeolitic Imidazolate Framework Materials

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1. Computing the solubility of argon and xenon in molten sodium chloride and potassium chloride salts;Fluid Phase Equilibria;2025-01

2. Ionic Liquids for the Separation of Fluorocarbon Refrigerant Mixtures;Chemical Reviews;2024-04-29

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