Sucrose-water mixture: From thermodynamics to solution structure

被引:11
作者
Shimizu, Seishi [1 ]
机构
[1] Univ York, Dept Chem, York Struct Biol Lab, York YO10 5DD, N Yorkshire, England
关键词
KIRKWOOD-BUFF THEORY; MOLECULAR-DYNAMICS; NONELECTROLYTE SOLUTIONS; AQUEOUS-SOLUTIONS; HYDRATION; TEMPERATURE; DEPENDENCE; SIMULATION; PRESSURE; SYSTEM;
D O I
10.1016/j.cplett.2013.07.009
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
What is the structure of sucrose-water mixture? I employ an exact statistical thermodynamic theory (Kirkwood-Buff theory) to calculate information regarding sucrose-water, water-water and sucrose-sucrose interactions solely from volumetric and osmometric data. We found that (i) Long-ranged hydration structure, beyond the first hydration shell, influences thermodynamics; (ii) The inferred minimum of the activity coefficient of water at the high sucrose concentration is due to the increases in the self association of water. These findings from a rigorous theory are consistent with previous simulation studies. (C) 2013 Elsevier B.V. All rights reserved.
引用
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页码:129 / 133
页数:5
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