The book guides the reader from the foundations of statisti-
cal thermodynamics including the theory of intermolecular
forces to modern computer-aided applications in chemical en-
gineering and physical chemistry. The approach is new. The
foundations of quantum and statistical mechanics are presen-
ted in a simple way and their applications to the prediction
of fluid phase behavior of real systems are demonstrated. A
particular effort is made to introduce the reader to expli-
cit formulations of intermolecular interaction models and to
show how these models influence the properties of fluid sy-
stems. The established methods of statistical mechanics -
computer simulation, perturbation theory, and numerical in-
tegration - are discussed in a style appropriate for newcom-
ers and are extensively applied. Numerous worked examples
illustrate how practical calculations should be carried out.
Klaus Lucas
Perturbationstheorie Simulation Statistische Thermodynamik behavior chemistry computer simulation dynamics elements influence mechanics perturbation theory physical chemistry quantum mechanics statistical mechanics thermodynamics