INVESTIGADORES
PEREDA Selva
congresos y reuniones científicas
Título:
Modelling High Pressure Phase Equilibria of Associating Systems by Group-Contribution
Autor/es:
A. ANDREATTA; G. FOCO; S. PEREDA; S.B. BOTTINI
Lugar:
Puerto Iguazu
Reunión:
Conferencia; I Iberoamerican Conference onSupercritical Fluids - PROSCIBA 2007; 2007
Resumen:
The group contribution equation of state GCA-EoS has been used to model high-pressure phase equilibria in associating systems. Self- and cross-associating functional groups have been defined and a generalized computational routine has been implemented to quantify association and solvation effects by the interaction between functional groups with one or two associating sites. Results are shown for systems containing dimethyl sulfoxide, thiophene, carboxylic acids, water and carbon dioxide.
