Conformation and solvation structure for an isolated n-octadecane chain in water, methanol and their mixtures
Article Abstract:
An investigation is carried out on the conformation of n-octadecane and its solvation shell in water, methanol and their mixtures using particle-based Monte Carlo simulations. A detailed analysis of hydrogen-bonding and enrichment of methanol around the solute provides further insight on the solvation process.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Temperature dependence of transfer properties: importance of heat capacity effects
Article Abstract:
Gibbs free energies, enthalpies, and entropies for vapor-to-liquid transfers for water over a moderate temperature range to test the applicability of the van't Hoff equation are presented. The structural changes in the solvent phase causing the temperature dependence are also investigated.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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Temperature dependence of hydrogen bonding: An investigation of the retention of primary and secondary alcohols in gas-liquid chromatography
Article Abstract:
The retention mechanism of alcohols in a dioctyl ether retentive (stationery) phase from the molecular level is examined. The increase in temperature leads to a substantial decline in the separation factor between primary and secondary alcohols.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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