Aggregation of hydrocarbons in dilute aqeous solutions
Article Abstract:
The relation between the degree of aggregation and thermodynamic properties has been investigated. An equation based on the fluctuation theory of Kirkwood and Buff has been derived. The equation related the aggregation of solutes in infinitely dilute aqueous solutions to the slope of the solute activity coefficient and partial molar volume of infinite dilution. The results showed that the aggregation number passes through a maximum with increasing temperature and increases as the pressure increases.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1998
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Model for the nucleation mechanism of protein folding
Article Abstract:
A heteropolymer model, consisting of several hydrophobic and hydrophilic heads with fixed bond angles and bond lengths is studied to examine the nucleation-like pathway of protein folding that involves the formation of a cluster containing native residues. The results show that the average dihedral potential highly depends on the distance between the residue and cluster center, hence providing a consistent set of values for the size, as well as the folding time of the proteins.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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The Kirkwood-Buff theory of solutions and the local composition of liquid mixtures
Article Abstract:
The local composition of liquid mixtures calculated in the framework of the Kirkwood-Buff theory of solutions is presented. A method is indicated to calculate the excess number of various molecules around a selected molecule in binary and multicomponent liquid mixtures in terms of measurable macroscopic thermodynamic quantities.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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