Solubility of Carbon Dioxide in Aqueous Solutions of Methanol. Predictions by Molecular Simulation and Comparison with Experimental Data

Ilina Urukova; Johannes Vorholz; Gerd Maurer

doi:10.1021/jp060910o

Solubility of Carbon Dioxide in Aqueous Solutions of Methanol. Predictions by Molecular Simulation and Comparison with Experimental Data

The Journal of Physical Chemistry B ◽

10.1021/jp060910o ◽

2006 ◽

Vol 110 (30) ◽

pp. 14943-14949 ◽

Cited By ~ 8

Author(s):

Ilina Urukova ◽

Johannes Vorholz ◽

Gerd Maurer

Keyword(s):

Experimental Data ◽

Carbon Dioxide ◽

Aqueous Solutions ◽

Molecular Simulation ◽

Comparison With Experimental Data

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Experimental Data and Predictions of Dissociation Conditions for Methane, Ethane, Propane, and Carbon Dioxide Simple Hydrates in the Presence of Glycerol Aqueous Solutions

Industrial & Engineering Chemistry Research ◽

10.1021/ie801018e ◽

2008 ◽

Vol 47 (21) ◽

pp. 8492-8495 ◽

Cited By ~ 17

Author(s):

Amir H. Mohammadi ◽

Ilyas Kraouti ◽

Dominique Richon

Keyword(s):

Experimental Data ◽

Carbon Dioxide ◽

Aqueous Solutions

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Molecular simulation of osmometry in aqueous solutions of the BMIMCl ionic liquid: a potential route to force field parameterization of liquid mixtures

Physical Chemistry Chemical Physics ◽

10.1039/d0cp03833d ◽

2020 ◽

Vol 22 (48) ◽

pp. 28325-28338

Author(s):

Debdas Dhabal ◽

Tanmoy Patra

Keyword(s):

Experimental Data ◽

Aqueous Solution ◽

Ionic Liquid ◽

Aqueous Solutions ◽

Force Field ◽

Molecular Simulation ◽

Osmotic Coefficient ◽

Force Fields ◽

Liquid Mixtures ◽

Force Field Parameterization

By means of molecular simulation, the osmotic coefficient of aqueous solution of BMIMCl ionic liquid is calculated to compare with the experimental data and use that to optimize two popular force fields available in the literature for bulk ILs.

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The Equilibrium Solubility of Carbon Dioxide in Aqueous Solutions of Morpholine: Experimental Data and Thermodynamic Modeling

Industrial & Engineering Chemistry Research ◽

10.1021/ie303563f ◽

2013 ◽

Vol 52 (14) ◽

pp. 5221-5229 ◽

Cited By ~ 10

Author(s):

Naser S. Matin ◽

Joseph E. Remias ◽

James K. Neathery ◽

Kunlei Liu

Keyword(s):

Experimental Data ◽

Carbon Dioxide ◽

Aqueous Solutions ◽

Thermodynamic Modeling ◽

Equilibrium Solubility

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Experimental Data and Predictions of Dissociation Conditions for Ethane and Propane Simple Hydrates in the Presence of Distilled Water and Methane, Ethane, Propane, and Carbon Dioxide Simple Hydrates in the Presence of Ethanol Aqueous Solutions

Journal of Chemical & Engineering Data ◽

10.1021/je700383p ◽

2008 ◽

Vol 53 (1) ◽

pp. 73-76 ◽

Cited By ~ 38

Author(s):

Amir H. Mohammadi ◽

Waheed Afzal ◽

Dominique Richon

Keyword(s):

Experimental Data ◽

Carbon Dioxide ◽

Aqueous Solutions ◽

Distilled Water

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Molecular simulation of the solubility of carbon dioxide in aqueous solutions of sodium chloride

Fluid Phase Equilibria ◽

10.1016/j.fluid.2004.09.009 ◽

2004 ◽

Vol 226 ◽

pp. 237-250 ◽

Cited By ~ 22

Author(s):

J. Vorholz ◽

V.I. Harismiadis ◽

A.Z. Panagiotopoulos ◽

B. Rumpf ◽

G. Maurer

Keyword(s):

Carbon Dioxide ◽

Sodium Chloride ◽

Aqueous Solutions ◽

Molecular Simulation

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Solubility of Single Gases Carbon Dioxide and Hydrogen Sulfide in Aqueous Solutions ofN-Methyldiethanolamine at Temperatures from 313 to 393 K and Pressures up to 7.6 MPa: New Experimental Data and Model Extension

Industrial & Engineering Chemistry Research ◽

10.1021/ie000441r ◽

2001 ◽

Vol 40 (2) ◽

pp. 696-706 ◽

Cited By ~ 89

Author(s):

Álvaro Pérez-Salado Kamps ◽

Anton Balaban ◽

Michael Jödecke ◽

George Kuranov ◽

Natalia A. Smirnova ◽

...

Keyword(s):

Experimental Data ◽

Carbon Dioxide ◽

Hydrogen Sulfide ◽

Aqueous Solutions ◽

Model Extension

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Experimental Data, Modeling, and Correlation of Carbon Dioxide Solubility in Aqueous Solutions Containing Low Concentrations of Clathrate Hydrate Promoters: Application to CO2–CH4 Gas Mixtures

Industrial & Engineering Chemistry Research ◽

10.1021/ie2023993 ◽

2012 ◽

Vol 51 (7) ◽

pp. 3157-3169 ◽

Cited By ~ 29

Author(s):

Marvin Ricaurte ◽

Jean-Philippe Torré ◽

Abdelhalim Asbai ◽

Daniel Broseta ◽

Christophe Dicharry

Keyword(s):

Experimental Data ◽

Carbon Dioxide ◽

Aqueous Solutions ◽

Data Modeling ◽

Gas Mixtures ◽

Clathrate Hydrate ◽

Low Concentrations

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Analytical and computational indoor shelter models for infiltration of carbon dioxide into buildings: Comparison with experimental data

International Journal of Greenhouse Gas Control ◽

10.1016/j.ijggc.2019.102849 ◽

2020 ◽

Vol 92 ◽

pp. 102849

Author(s):

C.J. Lyons ◽

J.M. Race ◽

K. Adefila ◽

B. Wetenhall ◽

H. Aghajani ◽

...

Keyword(s):

Experimental Data ◽

Carbon Dioxide ◽

Comparison With Experimental Data

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NUMERICAL INVESTIGATION FOR NATURAL CONVECTION IN A VERTICAL OPEN-ENDED CHANNEL: COMPARISON WITH EXPERIMENTAL DATA

Proceeding of Proceedings of CHT-12. ICHMT International Symposium on Advances in Computational Heat Transfer. ◽

10.1615/ichmt.2012.cht-12.920 ◽

2012 ◽

Author(s):

Zoubir Amine ◽

Christophe Daverat ◽

Shihe Xin ◽

Stephanie Giroux-Julien ◽

Hervé Pabiou ◽

...

Keyword(s):

Experimental Data ◽

Natural Convection ◽

Numerical Investigation ◽

Comparison With Experimental Data

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The decellularization of allografts with supercritical carbon dioxide and detergents. Experimental data

The Bulletin of Bakoulev Center Cardiovascular Diseases ◽

10.24022/1810-0694-2019-20-5-402-409 ◽

2019 ◽

Vol 20 (5) ◽

pp. 402-409 ◽

Cited By ~ 1

Author(s):

D.V. Britikov ◽

I.S. Chashchin ◽

G.A. Khugaev ◽

N.P. Bakuleva

Keyword(s):

Experimental Data ◽

Carbon Dioxide ◽

Supercritical Carbon Dioxide ◽

Supercritical Carbon

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