Prediction of Cosolvent Effect on Solvation Free Energies and Solubilities of Organic Compounds in Supercritical Carbon Dioxide Based on Fully Atomistic Molecular Simulations

Andrey I. Frolov; Michael G. Kiselev

doi:10.1021/jp505731z

Prediction of Cosolvent Effect on Solvation Free Energies and Solubilities of Organic Compounds in Supercritical Carbon Dioxide Based on Fully Atomistic Molecular Simulations

The Journal of Physical Chemistry B ◽

10.1021/jp505731z ◽

2014 ◽

Vol 118 (40) ◽

pp. 11769-11780 ◽

Cited By ~ 23

Author(s):

Andrey I. Frolov ◽

Michael G. Kiselev

Keyword(s):

Carbon Dioxide ◽

Supercritical Carbon Dioxide ◽

Organic Compounds ◽

Molecular Simulations ◽

Free Energies ◽

Solvation Free Energies ◽

Supercritical Carbon

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Photocatalytic and chemical oxidation of organic compounds in supercritical carbon dioxide. 1998 annual progress report

10.2172/13734 ◽

1998 ◽

Author(s):

D.M. Blake

Keyword(s):

Carbon Dioxide ◽

Supercritical Carbon Dioxide ◽

Organic Compounds ◽

Chemical Oxidation ◽

Progress Report ◽

Oxidation Of Organic Compounds ◽

Annual Progress Report ◽

Supercritical Carbon

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A generalized model for predicting adsorption equilibria of various volatile organic compounds on activated carbon in the presence of supercritical carbon dioxide

The Journal of Supercritical Fluids ◽

10.1016/j.supflu.2019.01.005 ◽

2019 ◽

Vol 146 ◽

pp. 30-37 ◽

Cited By ~ 4

Author(s):

Ikuo Ushiki ◽

Yoshiyuki Sato ◽

Yasuyuki Ito ◽

Shigeki Takishima ◽

Hiroshi Inomata

Keyword(s):

Carbon Dioxide ◽

Activated Carbon ◽

Volatile Organic Compounds ◽

Supercritical Carbon Dioxide ◽

Organic Compounds ◽

Generalized Model ◽

Adsorption Equilibria ◽

Volatile Organic ◽

Supercritical Carbon

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Palladium Supported on an Acidic Resin: A Unique Bifunctional Catalyst for the Continuous Catalytic Hydrogenation of Organic Compounds in Supercritical Carbon Dioxide

Advanced Synthesis & Catalysis ◽

10.1002/adsc.200700532 ◽

2008 ◽

Vol 350 (5) ◽

pp. 691-705 ◽

Cited By ~ 47

Author(s):

Tsunetake Seki ◽

Jan-Dierk Grunwaldt ◽

Niels van Vegten ◽

Alfons Baiker

Keyword(s):

Carbon Dioxide ◽

Supercritical Carbon Dioxide ◽

Organic Compounds ◽

Catalytic Hydrogenation ◽

Bifunctional Catalyst ◽

Acidic Resin ◽

Supercritical Carbon

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Supercritical carbon dioxide as solvent for organic compounds present in aqueous salt solutions

Supercritical Fluids as Solvents and Reaction Media ◽

10.1016/b978-044451574-2/50007-9 ◽

2004 ◽

pp. 163-184 ◽

Cited By ~ 1

Author(s):

G. Sieder ◽

G. Maurer

Keyword(s):

Carbon Dioxide ◽

Supercritical Carbon Dioxide ◽

Organic Compounds ◽

Salt Solutions ◽

Aqueous Salt Solutions ◽

Supercritical Carbon

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Multicomponent (Binary and Ternary) Adsorption Equilibria of Volatile Organic Compounds (Acetone, Toluene, and n-Hexane) on Activated Carbon in Supercritical Carbon Dioxide

Industrial & Engineering Chemistry Research ◽

10.1021/acs.iecr.5b04383 ◽

2016 ◽

Vol 55 (7) ◽

pp. 2163-2173 ◽

Cited By ~ 8

Author(s):

Ikuo Ushiki ◽

Yoshiyuki Sato ◽

Masaki Ota ◽

Hiroshi Inomata

Keyword(s):

Carbon Dioxide ◽

Activated Carbon ◽

Volatile Organic Compounds ◽

Supercritical Carbon Dioxide ◽

Organic Compounds ◽

Adsorption Equilibria ◽

Volatile Organic ◽

Ternary Adsorption ◽

Supercritical Carbon

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Photocatalytic and Chemical Oxidation of Organic Compounds in Supercritical Carbon Dioxide

10.2172/14658 ◽

1999 ◽

Author(s):

D M Blake

Keyword(s):

Carbon Dioxide ◽

Supercritical Carbon Dioxide ◽

Organic Compounds ◽

Chemical Oxidation ◽

Oxidation Of Organic Compounds ◽

Supercritical Carbon

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Determining the Solubility of Organic Compounds in Supercritical Carbon Dioxide Using Supercritical Fluid Chromatography Directly Interfaced to Supercritical Fluid Solubility Apparatus

Journal of Chemical & Engineering Data ◽

10.1021/acs.jced.6b00081 ◽

2016 ◽

Vol 61 (6) ◽

pp. 2128-2134 ◽

Cited By ~ 11

Author(s):

Ben Li ◽

Wei Guo ◽

Wei Song ◽

Edward D. Ramsey

Keyword(s):

Carbon Dioxide ◽

Supercritical Carbon Dioxide ◽

Organic Compounds ◽

Supercritical Fluid ◽

Supercritical Fluid Chromatography ◽

Supercritical Carbon

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Desorption behavior of various volatile organic compounds from activated carbon in supercritical carbon dioxide: Measurement and kinetic modeling

The Journal of Supercritical Fluids ◽

10.1016/j.supflu.2016.11.007 ◽

2017 ◽

Vol 121 ◽

pp. 41-51 ◽

Cited By ~ 9

Author(s):

Ikuo Ushiki ◽

Koichi Kikuchi ◽

Naoto Takahashi ◽

Yoshiyuki Sato ◽

Yasuyuki Ito ◽

...

Keyword(s):

Carbon Dioxide ◽

Activated Carbon ◽

Volatile Organic Compounds ◽

Supercritical Carbon Dioxide ◽

Organic Compounds ◽

Kinetic Modeling ◽

Carbon Dioxide Measurement ◽

Volatile Organic ◽

Supercritical Carbon

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Prediction of Supercritical Carbon Dioxide Solubility of Organic Compounds from Molecular Structure

Journal of Chemical Information and Computer Sciences ◽

10.1021/ci960085g ◽

1997 ◽

Vol 37 (3) ◽

pp. 478-484 ◽

Cited By ~ 18

Author(s):

Heidi L. Engelhardt ◽

Peter C. Jurs

Keyword(s):

Molecular Structure ◽

Carbon Dioxide ◽

Supercritical Carbon Dioxide ◽

Organic Compounds ◽

Supercritical Carbon

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Measurement and prediction of desorption behavior of five volatile organic compounds (acetone, n-hexane, methanol, toluene, and n-decane) from activated carbon for supercritical carbon dioxide regeneration

The Journal of Supercritical Fluids ◽

10.1016/j.supflu.2015.09.014 ◽

2016 ◽

Vol 107 ◽

pp. 226-233 ◽

Cited By ~ 13

Author(s):

Naoto Takahashi ◽

Ikuo Ushiki ◽

Yuri Hamabe ◽

Masaki Ota ◽

Yoshiyuki Sato ◽

...

Keyword(s):

Carbon Dioxide ◽

Activated Carbon ◽

Volatile Organic Compounds ◽

Supercritical Carbon Dioxide ◽

Organic Compounds ◽

Volatile Organic ◽

Supercritical Carbon

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