A critical analysis of methods of calculation of a potential in simulated polar liquids: strong arguments in favor of "molecule-based" summation and of vacuum boundary conditions in Ewald summation
Article Abstract:
Several methods of calculation of the electrostatic potential inside a polar liquid are discussed and arguments in favor of molecule based summation and of vacuum boundary conditions in Ewald summation are presented.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1999
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Vapor-liquid equilibrium and critical line of the CO2 + Xe system. Critical behavior of CO2 + Xe versus CO2 + n-alkanes
Article Abstract:
It has been possible to use an acoustic technique to assess the binary critical behaviour of the system CO2 + Xe. The critical p-T line shows a temperature minimum, indicating the existence of a positive azetrope.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2000
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Simple model for semipermeable membrane: Donnan equilibrium
Article Abstract:
A model for macroions in an electrolyte solution, confined by a semipermeable membrane is discussed. This discussion is focused on the adsorption of macroions on the membrane surface and on the osmotic pressure.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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