Equation of state of linear fused hard-sphere models
Tomáš Boublı́k
Abstract
Tomáš Boublı́k
Abstract
The equation of state obtained within the framework of the study of spherical associating molecules is discussed and modified. As a consequence of a basic relationship in the theory of associating molecules the linear dependence of the virial coefficients on the nonsphericity parameter is obtained. This finding is verified using data on the second to fourth virial coefficients of linear fused hard-sphere molecules. Using the expressions for the virial coefficients a new form of the equation of state is proposed and its accuracy verified by comparison of values of the virial coefficients and compressibility factor with the pseudoexperimental data.
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The equation of state obtained within the framework of the study of spherical associating molecules is discussed and modified. As a consequence of a basic relationship in the theory of associating molecules the linear dependence of the virial coefficients on the nonsphericity parameter is obtained. This finding is verified using data on the second to fourth virial coefficients of linear fused hard-sphere molecules. Using the expressions for the virial coefficients a new form of the equation of state is proposed and its accuracy verified by comparison of values of the virial coefficients and compressibility factor with the pseudoexperimental data.
Key concepts: Equation of state, State (computer science), Statistical physics, Physics, Chemistry, Thermodynamics, Computational chemistry, Mathematics