Determination of new ASOG-H parameters of CyCH, furfural and DMSO groups

Abstract

New interaction parameters for the groups CYCH(1)-furfural(2) and CyCH(1)-DMSO(2) of the ASOG-H model were determined, for 293.15 K-323.15 K and 303.15 K-323.15K respectively. The values of the CyCH(1)-furfural(2) parameters are A 1,2 = 1.2259, A 2,1 = -0.6307, B 1,2 = -36.57, B 2,1 = 63.32, C 1,2 = 9300, C 2,1 = -29317, whereas those for CyCH(1)-DMSO(2) are A 1,2 = 1.2570, A 2,1 = -3.5029, B 1,2 = -153.12, B 2,1 = -68.31, C 1,2 = 10500, C 2,1 = 31000. Using these values satisfactory results of h E data correlation for the systems cyclohexane-furfural and dimethyl sulfoxide-cyclohexanol were obtained. Also, it was shown that if the group interaction parameters ArCH and CH 2 were generated from the n-hexane-toluene h E data, the quality of the results was significantly improved, when compared with those obtained using the parameters from the literature.