Fundamental measure theory of hydrated hydrocarbons

Details Fundamental measure theory of hydrated hydrocarbons Fundamental measure theory of hydrated hydrocarbons

2006-04-12

arxiv.org/abs/cond-mat/0604315v2

Physics

Condensed Matter

Statistical Mechanics

13 pages, 3 figures

Scientific paper

To calculate the solvation of hydrophobic solutes we have developed the method based on the fundamental measure treatment of the density functional theory. This method allows us to carry out calculations of density profiles and the solvation energy for various hydrophobic molecules with a high accuracy. We have applied the method to the hydration of various hydrocarbons (linear, branched and cyclic). The calculations of the entropic and the enthalpic parts are also carried out. We have examined a question about temperature dependence of the entropy convergence. Finally, we have calculated the mean force potential between two large hydrophobic nanoparticles immersed in water.

Affiliated with

Also associated with

No associations

Rating

Fundamental measure theory of hydrated hydrocarbons does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Fundamental measure theory of hydrated hydrocarbons, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Fundamental measure theory of hydrated hydrocarbons will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-226007