Zeitschrift für Physikalische Chemie, Bd. 186, S. 91 -98 (1994) © by R. Oldenbourg Verlag, München 1994 Specific Heats of Dipolar Fluids II. Application of the Perturbation Theoretical Results By T. Lukács, I. Szálai and J. Liszi Department of Physical Chemistry, University of Veszprém, P. O. Box 158, H-8201 Veszprém, Hungary (Received December 10, 1993) Perturbation theory / Specific heats / Water / Ammonia / Carbon monoxide The caloric properties of water, ammonia and carbon monoxide were calculated by perturbation theory. Dipolar and polarizable dipolar hard-sphere models were used in our calculations. A comparison was made between the calculated and experimental results. Die kalorischen Eigenschaften von Wasser, Ammóniák und Kohlenmonoxid wurden mit Hilfe der Störungstheorie berechnet. Zu diesen Ermittlungen wurden dipolare und polarisierbare dipolare harte Kugel-Modelle verwendet. Die Kalkulationsergebnisse wur- den mit MeBwerten verglichen. 1. Introduction The description of the thermodynamic properties of simple fluids is of great importance from both theoretical and chemical engineering points of view. In our first paper [1] the thermodynamic properties of polarizable dipolar hard-sphere (PDHS) fluids were studied via the perturbation theory. Equations were derived for the calculation of configurational reduced specific heats (isochoric, isobaric and saturation) and reduced heats of vaporization. In the present paper the properties of three real substances (water, ammonia and carbon monoxide) are studied. The hard-sphere dia- meter ( ), the dipole moment (µ), and the reduced polarizability (a*) are calculated by different methods. For water, the Winkelmann parameters [2] are also used. The calculated data are compared to the experimental ones. 2. Determination of the parameters The knowledge of the potential parameters is essential in the application of the perturbation theory. In the case of PHDS fluids we need three Brought to you by | INSEAD Authenticated Download Date | 3/23/18 7:24 AM