Multicomponent nonaqueous phase liquid (NAPL) contaminants that are mixtures of polycyclic aromatic hydrocarbons (PAHs) are examined using UNIFAC. The NAPL phase activity coefficients for constituent compounds of four different coal tar materials are estimated. The group contribution approach is adapted to describe representative molecular structures of the uncharacterized fractions of the tar ...

The catalytic-distillation process for the production of t-amyl-methyl-ether (TAME) from methanol and isoamylenes was simulated by developing the process model as a combination of unit operations from HYSYS operations palette. Geometrical characteristics of catalytic-distillation column are those of an industrial pilot plant and the results of simulation were compared with experimental data. T...

The previously developed dispersion activity coefficient model (ACM) is extended from a molecular to group contribution (GC) providing results of equal accuracy as the model. Contrary other GC-ACMs presented GC-ACM preserves topology information each molecule in mixture. Therefore, contrast DISQUAC, UNIFAC or COSMOSAC, where eliminated by assignment groups construction sigma-profiles, this new ...

The synthesis, design and simulation of chemical processes, in particular thermal separation processes is today carried out by solving the resulting balance equations of a mathematical model of the considered unit operation or the whole chemical plant using sophisticated commercial process simulation software. The reliability and correctness of the simulation results is mainly influenced by the...

Optimization of the extraction process for reducing aromatic and/or polyaromatic compounds is primary interest in crude oil refining. Several solvents are described carrying out such operations (furfural, N-methyl-pyrrolidone -NMP-, dimethyl-sulfoxide -DMSO-, …) and experimental data model description required correct design separation optimization conditions. In this work, liquid-liquid equili...