Avaliação de metodos de contribuição de grupos para uso em calculos de equilibrio liquido-vapor

AUTOR(ES)
DATA DE PUBLICAÇÃO

1992

RESUMO

A methodology for predicting vapour-liquid equilibrium curves using group contribution methods is proposed. From the molecular structure of the compound, values of normal boiling temperature, critical properties, acentric factor, second virial coefficients, vapor pressure, activity coefficients and molar liquid volume are required since they are necessary in isothermic and isobaric bubble- and dew- points calculations. The utilization of the developed C language computer programs is directed by an interactive executive program GERENTE. C which requires only the group structures of the compounds for each property calculation. In this work, a number (988) of vapour-liquid equilibrium calculations has been obtained for 25 different compounds summing up 30 binary systems which were extracted from VLE Standard Data Base (Danner and Gess, 1990). Following the same procedure, 12 more calculations were made envolving ternary and quaternary systems. In general, the prediction of vapour-liquid equilibrium data using group contribution can be considered good and suitable to be used in preliminary separation process calculations. Nevertheless, the prediction quality, expressed in terms of pressure, temperature and phase concentration deviations calculated in relation to the experimental values is a function of both predicted pure component vapor pressure and activity coefficients values... Note: The complete abstract is available with the full electronic digital thesis or dissertations

ASSUNTO(S)

equilibrio liquido-vapor engenharia quimica

ACESSO AO ARTIGO

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