Solvent structure of ionic liquid with carbon dioxide

Kikui, Kenichi; Hayaki, Seigo; Kido, Kentaro; Yokogawa, Daisuke; Kasahara, Kento; Matsumura, Yoshihiro; Sato, Hirofumi; Sakaki, Shigeyoshi

doi:10.1016/j.molliq.2015.06.061

Cited by 7 publications

(3 citation statements)

References 16 publications

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“…For instance, in fluorinated anion ILs, CO 2 molecules were found to be aligned tangential to the anion spheres with their most probable location being the octahedral voids of the anion [49]. Furthermore, the structure of ILs was found similar before and after CO 2 dissolution [50], suggesting that CO 2 molecules do not disturb the structure of ILs upon dissolution.…”

Section: Co 2 Solubility and Structures In Ionic Liquidsmentioning

confidence: 96%

Electrocatalytic Reduction of CO2 in Ionic Liquid-Based Electrolytes

Zhang

2019

Encyclopedia of Ionic Liquids

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Electrocatalytic Reduction of CO 2 in Ionic Liquid-Based Electrolytes, Table 1 Selected standard electrode potentials for the CO 2 RR at 1.0 atm and 25 C [2] Half reaction E o (V vs SHE) CO 2 (g) + 4H + + 4e À = C(s) + 2H 2 O(l) 0.210 CO 2 (g) + 2H + + 2e À = HCOOH(l) À0.250 CO 2 (g) + 2H + + 2e À = CO(g) + H 2 O(l) À0.106 CO 2 (g) + 4H + + 4e À = CH 2 O(l) + H 2 O(l) À0.070 CO 2 (g) + 6H + + 6e À = CH 3 OH(l) + H 2 O(l) 0.016 CO 2 (g) + 8H + + 8e À = CH 4 (g) + 2H 2 O(l) 0.169 2CO 2 (g) + 2H + + 2e À = H 2 C 2 O 4 (l) À0.500 2CO 2 (g) + 12H + + 12e À = CH 2 CH 2 (g) + 4H 2 O(l) 0.064 2CO 2 (g) + 14H + + 14e À = CH 3 CH 3 (g) + 4H 2 O(l) 0.084

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Section: Co 2 Solubility and Structures In Ionic Liquidsmentioning

confidence: 96%

Electrocatalytic Reduction of CO2 in Ionic Liquid-Based Electrolytes

Zhang

2019

Encyclopedia of Ionic Liquids

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“…CO 2 molecules were found to be aligned tangential to the anion spheres with their most probable location being the octahedral voids of the anion . Furthermore, the structure of ionic liquid was found similar after CO 2 dissolution predicted using radial distribution function analysis as supported by experimental measurements …”

Section: Co2 In Ionic Liquidsmentioning

confidence: 99%

Electrocatalytic conversion of carbon dioxide to fuels: a review on the interaction between CO₂ and the liquid electrolyte

Sharma

Zhou

2017

WIREs Energy & Environment

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The electrochemical reduction of carbon dioxide using renewable energy resources can potentially accomplish the carbon‐neutral energy cycle while synthesizing fuels simultaneously. CO2 electrocatalysis typically requires the presence of protons in a liquid electrolyte, which acts as a possible cocatalyst for CO2 conversion to fuels. However, the following fundamental questions remain: (1) How does the interaction between CO2 and liquid electrolyte influence CO2 electrocatalysis? (2) How does the selectivity toward products from CO2 reduction depend upon the choice of electrolyte? In this review article, we emphasize on the interaction between CO2 and the liquid electrolyte, in order to find answers to these questions. Specifically, the nature of interactions along with the structures of solvated molecules for CO2 in water, organic solvents and ionic liquids are discussed. Finally, relevant questions are proposed which need to be studied carefully in order to gain a deeper understanding of CO2 electrocatalysis. WIREs Energy Environ 2017, 6:e239. doi: 10.1002/wene.239 This article is categorized under: Fuel Cells and Hydrogen > Climate and Environment

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“…Therefore, there is a scientific need to obtain the physical basis of the mechanism of acid gas absorption by SFL. Computational chemistry has been successfully used for the characterization of other acid gas physical solvents such as ionic liquids, , deep eutectic solvents, or complex mixed solvents . Therefore, a previously utilized theoretical and computational approach was extended to this work for the characterization of SFL.…”

Section: Introductionmentioning

confidence: 99%

Microscopic Characterization of CO₂ and H₂S Removal by Sulfolane

Gutiérrez

Aparício

2017

Energy Fuels

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The properties of sulfolane as a physical absorbent for CO 2 and H 2 S acid gases are studied by using density functional theory and molecular dynamics computational chemistry methods with the objective of obtaining a microscopic picture of the use of this solvent for natural gas sweetening purposes. The reported results herein provide the information on intermolecular forces between the absorbent and acid gas molecules, structural changes upon absorption, and the behavior of acid gases at solvent−gas interfaces. Likewise, the cytotoxicity of sulfolane is analyzed through molecular dynamics studies of its interaction with model lipid biomembranes.

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Solvent structure of ionic liquid with carbon dioxide

Cited by 7 publications

References 16 publications

Electrocatalytic Reduction of CO2 in Ionic Liquid-Based Electrolytes

Electrocatalytic Reduction of CO2 in Ionic Liquid-Based Electrolytes

Electrocatalytic conversion of carbon dioxide to fuels: a review on the interaction between CO₂ and the liquid electrolyte

Microscopic Characterization of CO₂ and H₂S Removal by Sulfolane

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Solvent structure of ionic liquid with carbon dioxide

Cited by 7 publications

References 16 publications

Electrocatalytic Reduction of CO2 in Ionic Liquid-Based Electrolytes

Electrocatalytic Reduction of CO2 in Ionic Liquid-Based Electrolytes

Electrocatalytic conversion of carbon dioxide to fuels: a review on the interaction between CO2 and the liquid electrolyte

Microscopic Characterization of CO2 and H2S Removal by Sulfolane

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Electrocatalytic conversion of carbon dioxide to fuels: a review on the interaction between CO₂ and the liquid electrolyte

Microscopic Characterization of CO₂ and H₂S Removal by Sulfolane