A Combined Experimental and Computational Study on Selected Physical Properties of Aminosilicones
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- 作者：Robert J. Perry ; Sarah E. Genovese ; Rachel L. Farnum ; Irina Spiry ; Thomas M. Perry ; Michael J. O’Brien ; Hong-bin Xie ; De-Li Chen ; Robert M. Enick ; J. Karl Johnson ; Saeed S. Alshahrani
- 刊名：Industrial & Engineering Chemistry Research
- 出版年：2014
- 出版时间：January 29, 2014
- 年：2014
- 卷：53
- 期：4
- 页码：1334-1341
- 全文大小：387K
- ISSN：1520-5045
文摘
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路掳C); again substantially lower than a benchmark 30% aqueous MEA solution. Surface energies for the aminosilicones were found to be 23.3鈥?8.3 dyne/cm and were accurately predicted using the parachor method.