Counting the Relative Number of Hydrogen Bonds in Several Alcohol Co-solvated Systems via GROMACSMongelli GF*
Department of Chemical Engineering, Case Western Reserve University, USA
- *Corresponding Author:
- Mongelli GF
Department of Chemical Engineering,
Case Western Reserve University
10900 Euclid Ave., A.W. Smith 116
Clevland, OH 44120, USA
E-mail: [email protected]
Received date: September 29, 2016; Accepted date: November 08, 2016; Published date: November 18, 2016
Citation: Mongelli GF (2016) Counting the Relative Number of Hydrogen Bonds in Several Alcohol Co-solvated Systems via GROMACS. J Material Sci Eng 5:296. doi: 10.4172/2169-0022.1000296
Copyright: © 2016 Mongelli GF. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
In order to better understand the solubility properties of polyalkane, polyether and polysilicone materials, which are critical to the foaming behavior of shampoo and shaving creams, GROMACS molecular dynamics NVT simulations were performed using the OPLS-AA force field to determine the time-average number of hydrogen bonds in solutions of water co-solvated with methanol, ethanol, isopropanol, dimethyl ketone and acetyl methyl carbinol.