Distinct Solvation Structures of CO2 and SO2 in Reline and Ethaline Deep Eutectic Solvents Revealed by AIMD Simulations-Reference-Cited by-同舟云学术

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Distinct Solvation Structures of CO2 and SO2 in Reline and Ethaline Deep Eutectic Solvents Revealed by AIMD Simulations

Published:2021-02-12 Issue:7 Volume:125 Page:1852-1860
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Malik Akshay¹^ORCID,Dhattarwal Harender S.¹^ORCID,Kashyap Hemant K.¹^ORCID

Affiliation:

1. Department of Chemistry, Indian Institute of Technology Delhi, Hauz Khas, New Delhi 110016, India

Funder

University Grants Commission

Science and Engineering Research Board

Indian Institute of Technology Delhi

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.0c09824

Reference92 articles.

1. A fresh look at the benefits and costs of the US acid rain program

2. Declining uncertainty in transient climate response as CO2 forcing dominates future climate change

3. Quantification of technological progress in greenhouse gas (GHG) capture and mitigation using patent data

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1. Structure and interactions of CO2 with reline (a 1:2 choline chloride – Urea mixture) according to quantum chemical calculations and molecular dynamics simulation;Journal of Molecular Liquids;2024-09

2. CO2 Capture Using Deep Eutectic Solvents Integrated with Microalgal Fixation;Clean Technologies;2023-12-30

3. Solvation Shell Anatomy of H₂S and CO Dissolved in Reline and Ethaline Deep Eutectic Solvents;The Journal of Physical Chemistry B;2023-11-20

4. Nonflammable Polyfluorides‐Anchored Quasi‐Solid Electrolytes for Ultra‐Safe Anode‐Free Lithium Pouch Cells without Thermal Runaway;Advanced Materials;2023-11-16

5. Quantum Chemical Simulations of CO₂ and N₂ Capture in Reline, a Prototypical Deep Eutectic Solvent;The Journal of Physical Chemistry B;2023-10-06

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