Open Access. Powered by Scholars. Published by Universities.®

Physics Commons

Open Access. Powered by Scholars. Published by Universities.®

Series

Portland State University

2004

Molecular dynamics

Articles 1 - 1 of 1

Full-Text Articles in Physics

Environmental Swap Energy And Role Of Configurational Entropy In Transfer Of Small Molecules From Water Into Alkanes, Pavel Smejtek, Robert Campbell Word Jan 2004

Environmental Swap Energy And Role Of Configurational Entropy In Transfer Of Small Molecules From Water Into Alkanes, Pavel Smejtek, Robert Campbell Word

Physics Faculty Publications and Presentations

We studied the effect of segmented solvent molecules on the free energy of transfer of small molecules from water into alkanes (hexane, heptane, octane, decane, dodecane, tetradecane, and hexadecane). For these alkanes we measured partition coefficients of benzene, 3-methylindole (3MI), 2,3,4,6-tetrachlorophenol (TeCP), and 2,4,6-tribromophenol (TriBP) at 3, 11, 20, 3, and 47 °C. For 3MI, TeCP, and TriBP the dependence of free energy of transfer on length of alkane chains was found to be very different from that for benzene. In contrast to benzene, the energy of transfer for 3MI, TeCP, and TriBP was independent of the number of carbons …