A Combined Experimental and Computational Study on Selected Physical Properties of Aminosilicones

作者:Perry Robert J*; Genovese Sarah E; Farnum Rachel L; Spiry Irina; Perry Thomas M; O'Brien Michael J; Xie Hong bin; Chen De Li; Enick Robert M; Johnson J Karl; Alshahrani Saeed S
来源:Industrial & Engineering Chemistry Research, 2014, 53(4): 1334-1341.
DOI:10.1021/ie4035835

摘要

A number of physical properties of aminosilicones have been determined experimentally and predicted computationally. It was found that COSMO-RS predicted the densities of the materials under study to within about 4% of the experimentally determined values. Vapor pressure measurements were performed, and all of the aminosilicones of interest were found to be significantly less volatile than the benchmark MEA material. COSMO-RS was reasonably accurate for predicting the vapor pressures for aminosilicones that were thermally stable. The heat capacities of all aminosilicones tested were between 2.0 and 2.3 J/(g.degrees C); again substantially lower than a benchmark 30% aqueous MEA solution. Surface energies for the aminosilicones were found to be 23.3-28.3 dyne/cm and were accurately predicted using the parachor method.

  • 出版日期2014-1-29