NEW APPLICATIONS OF EQUATIONS OF STATE IN MOLECULAR-MODELS OF COMPLEXFLUID MIXTURES

Two different types of problems are approached by connecting simplifie d molecular models with equations of state (EOS). For aqueous-organic solutions of gases chemically reacting with solvent, special technique s to handle electrostatic and nonelectrostatic interaction contributio ns in the calculation of liquid composition and fugacity coefficients are applied for modeling VLE. A modified hole model and the Soave-Redl ich-Kwong (SRK) EOS are utilized to describe solubility of gases in wa ter-alkanolamine-acid gas (CO2, H2S) mixtures. A polydisperse version of a thermodynamic micellization model proposed earlier is formulated and applied to describe asphaltene phase drop-out from crude oils. (C) 1998 Elsevier Science B.V. All rights reserved.