High-Pressure Fluid Phase Equilibria

The book begins with an overview of the phase diagrams of fluid mixtures (fluid = liquid, gas, or supercritical state), which can show an astonishing variety when elevated pressures are taken into account; phenomena like retrograde condensation (single and double) and azeotropy (normal and double) are discussed. It then gives an introduction into the relevant thermodynamic equations for fluid mixtures, including some that are rarely found in modern textbooks, and shows how they can they be used to compute phase diagrams and related properties. This chapter gives a consistent and axiomatic approach to fluid thermodynamics; it avoids using activity coefficients. Further chapters are dedicated to solid-fluid phase equilibria and global phase diagrams (systematic search for phase diagram classes). The appendix contains numerical algorithms needed for the computations. The book thus enables the reader to create or improve computer programs for the calculation of fluid phase diagrams.
- introduces phase diagram classes, how to recognize them and identify their characteristic features
- presents rational nomenclature of binary fluid phase diagrams
- includes problems and solutions for self-testing, exercises or seminars

Ulrich Deiters was born in 1953. He studied chemistry at the Ruhr University of Bochum (Germany), where he, under the supervision of Gerhard M. Schneider, obtained his doctorate in physical chemistry in 1979. He then joined the groups of Keith E. Gubbins and William B. Streett at the Cornell University, Ithaca (USA). After his return to Bochum he founded his own research group. He served for many years as chairman of the IUPAC Subcomittee on Thermodynamic Data. In 1993 he became a professor of physical chemistry at the University of Cologne, from where he formally retired in 2018. His main research fields are the thermodynamics and statistical thermodynamics of fluid mixtures, Monte Carlo simulation, prediction of thermodynamic data ab initio from quantum mechanical calculations, and the development of mathematical methods for the prediction of phase diagrams.Thomas Kraska was born in 1964. He studied chemistry at the Ruhr University of Bochum (Germany), where he, under the supervision of Ulrich K. Deiters, obtained his doctorate in physical chemistry in 1992. He then joined the group of Keith E. Gubbins at Cornell University, Ithaca (USA) for two years, followed by a research stay for 6 months in the group of Kenneth S. Pitzer at UC Berkeley (USA). He returned to Cologne University in Germany and founded his own research group. In 1999 he obtained his habilitation and continued in Cologne with research on molecular thermodynamics, MD simulation, and the nucleation and growth of metallic and pharmaceutical nanoparticles. At present he is active in the field of chemical education, fostering physical chemistry, mathematization, and molecular simulation in secondary chemistry education.

1 Introduction 2 Phenomenology of phase diagrams3 Experimental observation of phase equilibria4 Thermodynamic variables and functions5 Stability and equilibrium 6 Solid-fluid equilibrium 7 Equations of state for pure fluids 8 Equations of state for mixtures9 Global phase diagramsAppendix: A Algebraic and numeric methods; B Proofs; C Equations of state