Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

ABSTRACT

The solvents for the separat ion of 2-methoxynaphthene and 2-acetyl-6-methoxynaphthalene were screened by computer using the sol id- l iquid equi l ibrium equat ion based on UNIFAC; according to the predicted values of separat ion factor and select ion principles of sui table solvent , the promising candidates of appropriate solvents were determined as n-hexane, n-heptane, cyclohexane and n-octane. The solubi l i ty and separat ion factor data of the two sol id solutes in corresponding appropriate solvents were measured by stat ic equi l ibrium method; the average relat ive deviat ion between the calculated separat ion factor values and experimental data is 8.13%, which indicates that the sol id-l iquid equi l ibrium equat ion based on UNIFAC is sui table for the separat ion solvents scanning of sol id solute mixtures having simi lar molecular stereoscopic structures. Determinat ion the appropriate separat ing solvents by the combinat ion of computer high-throughput scanning and experimental veri ficat ion can save the manpower, mater ial and financial resources as much as possible. Introduction