Exploring the efficiency of caprylic acid and quaternary ammonium salt-based deep eutectic solvents for separation of CO2 and H2S from gas mixtures using molecular dynamics simulations and COSMO-RS

Exploring the efficiency of caprylic acid and quaternary ammonium salt-based deep eutectic solvents for separation of CO2 and H2S from gas mixtures using molecular dynamics simulations and COSMO-RS

In the present study, quaternary ammonium salts (QAS) and caprylic acid based deep eutectic solvents (DES) were employed for the separation of CO2 and H2S from natural gas (NG). To elucidate the extraction mechanisms of H2S from natural gas (NG), we employed molecular dynamics (MD) simulations to in...

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Bibliographic Details
Main Authors: Samaneh Barani Pour, Mitra Dabbagh Hosseini pour, Jaber Jahanbin Sardroodi, Alireza Rastkar Ebrahimzadeh, Gholamreza Pazuki, Mohammad Sadegh Avestan
Format: Article
Language:English
Published: Elsevier 2024-11-01
Series:Chemical Engineering Journal Advances
Subjects:
MD Simulation
Structural and dynamical properties
Deep eutectic solvents
Caprylic acid
Quaternary ammonium Salts (QAS)
Natural gas (NG)
Online Access:http://www.sciencedirect.com/science/article/pii/S2666821124000632
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