Molecular thermodynamic model of excess volume for binary systems

PHYS 545

Wangwen Chang1, Wangji Yan2, Wangfu An Jr., fuanwang@371.net2, Zhang Peng2, and Renbao Zeng2. (1) Henan Design Institutes of Chemica Engineering, Zhengzhou, 450002, China, (2) Department of Chemistry Engineering, Zhengzhou University, No.97 Wenhua Road, Zhengzhou, 450002, China
Excess volume is an important basic datum used in the solution theory, molecular thermodynamics and chemical engineering designs. The measurement, correlation and theoretical research on excess volume are the subject of very active research. In this paper, a molecular thermodynamic model with three parameters for correlating excess volume of binary systems is proposed, based on the author's molecular model for solution structure and equation for the excess enthalpy of binary solution. This uses the group statistical theory, Lagrange undetermined multiplier method and a pseudo-chemical reaction mechanism. Tested by 6886 experimental data in 288 kinds of binary systems, the new model shows the characteristics of convenience and wide applicability. The accuracy of the new model has an advantage over the three-parameter Redlich-Kister equation. As for the comparison with four-parameter Ding-Liu equation, its accuracy is equivalent, and sometimes the new model is better.
 

PHYS Poster Session - General Theory
7:30 PM-10:00 PM, Wednesday, April 9, 2008 Morial Convention Center -- Hall A, Poster

Division of Physical Chemistry

The 235th ACS National Meeting, New Orleans, LA, April 6-10, 2008