Solubility of carbon dioxide in aqueous solutions of methanol. Predictions by molecular simulation and comparison with experimental data
Article Abstract:
The solubility of carbon dioxide in pure methanol, and in aqueous solutions of methanol, is computed by using the Gibbs ensemble Monte Carlo (GEMC) technique for 313, 354 and 395 K at pressures up to 9 MPa. The Monte Carlo simulations are conducted in an isothermal-isobaric ensemble applying effective pair potentials for the pure components and common mixing rules without any adjustable binary interaction parameters are used to describe the interactions between the mixture components.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Ordered porous carbon with tailored pose size for electrochemical hydrogen storage application
Article Abstract:
The physical characteristics and electrochemical hydrogen storage behavior of the ordered porous carbons with well-tailored pore size, synthesized by a replica technique using hexagonal mesoporous silica as templates, are examined. The ordered porous carbons are found to possess excellent capacity retainability after charge-discharge cycles and rate capability.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Solubility of CO2, Co, and H2 in the ionic liquid [bmim][PF6] from Monte Carlo simulations
Article Abstract:
Simulation results for the solubility of three single gases in the ionic liquid [bmim][PF6] are presented for temperatures from 293 to 393 K and pressures up to 9 MPa and compared with published experimental data. The interactions between unlike groups are described using common mixing rules without any adjustable binary interaction parameter.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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