A nonrandom lattice fluid hydrogen bonding theory for phase equilibria of associating systems

The Veytsman statistics for hydrogen bonding (HB) contribution is combined with the nonrandom lattice fluid (NLF) model developed recently by the pres ent authors. The physical contribution is characterized by two temperature dependent molecular parameters representing molecular size and interaction energy for a pure fluid, and a binary interaction parameter for a binary mi xture. The chemical part is represented by internal energy and entropy of H E. The resulting NLF-HB equation of state was applied to describe thermodyn amic properties of pure fluids and phase equilibrium of mixtures. The resul ts for alkane-alcohol mixtures showed significant improvements over those o f the NLF EOS (equation of state) and HM (hole quasichemical group-contribu tion) model. (C) 1999 Elsevier Science B.V. All rights reserved.