Measurement and Modeling of the Solubility of Tetramethylthiuram Disulfide and 2-Nitrophenyl Disulfide in Compressed Propane

作者：Martinez Fabiola; Martin Alicia; Rincon Jesusa^*

来源：Journal of Chemical and Engineering Data, 2012, 57(3): 928-936.

DOI：10.1021/je201186h

The solubility of tetramethylthiuram disulfide (TTDS) and 2-nitrophenyl disulfide (NPDS) in sub- and supercritical propane has been experimentally determined in a static view cell, for temperatures between (347 and 393) K and pressures in the range (4.8 to 12.9) MPa. The solubilities of TTDS varied from (0.09 to 0.67) mg of solute per gram of propane, whereas those of NPDS were from (0.06 to 0.70) mg of solute per gram of propane within the experimental range studied. It was found that larger values of the solubility were obtained at higher pressures. Regarding the temperature effect, for NPDS the solubility rose with increasing values of the variable in the whole experimental range analyzed, while for TTDS higher solubilities were found at 370 K (the critical temperature of propane). The solubility values obtained for these compounds were compared to those of anthracene, carbazole, and dibenzothiophene (DBT) in propane. It was observed that TTDS and NPDS solubilities are similar to those of carbazole and 1 or 2 orders of magnitude smaller than those of anthracene or DBT. These results have been explained taking into account the solute%26apos;s vapor pressure and the polarity of both the solvent and the solutes. With this purpose, dipole moments of all solutes compared were calculated using the HyperChem computational chemistry package. TTDS and NPDS solubility in propane was modeled by the Peng-Robinson equation of state. Using a set of mixing rules with two parameters a good fitting of the experimental results was attained. Physical properties of TTDS and NPDS required for solubility modeling by the Peng-Robinson equation were calculated using estimation methods previously proposed in the literature.

• 出版日期2012-3