화학공학소재연구정보센터
Journal of Chemical and Engineering Data, Vol.59, No.4, 1052-1061, 2014
Predicting Temperature-Dependent Aqueous Henry's Law Constants Using Group Contribution Methods
A first-order temperature-dependent group contribution method was developed to predict Henry's law constants of hydrocarbons, alcohols, ketones, and formates in which none of the functional groups are attached directly to a benzene ring. Efforts to expand this method to include ester and ether groups were unsuccessful. Second-order groups were developed at a reference condition of 298.15 K and 100 kPa. A second-order temperature-dependent group contribution method was then developed for hydrocarbons, ketones, esters, ethers, and alcohols. These methods were compared to existing literature prediction methods.