Critical Polyalkane, Polyether, and Polysilicone Structure Differences: Consideration of Polymer Forces from the OPLS-AA StandpointMongelli GF*
Department of Chemical Engineering, Case Western Reserve University, Cleveland, USA
- *Corresponding Author:
- Mongelli GF
Department of Chemical Engineering
Case Western Reserve University
10900 Euclid Ave., A.W. Smith 116
E-mail: [email protected]
Received Date: December 14, 2016; Accepted Date: December 31, 2016; Published Date: January 10, 2017
Citation: Mongelli GF (2017) Critical Polyalkane, Polyether, and Polysilicone Structure Differences: Consideration of Polymer Forces from the OPLS-AA Standpoint. J Material Sci Eng 6: 313. doi: 10.4172/2169-0022.1000313
Copyright: © 2017 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.
The OPLS-AA force field is well established in determining the bulk properties of molecules from molecular parameterizations. However, the comparison of such derived properties from high performance computing research has not extended to determine their applicability or breakdown in polyalkane, polyether and polysilicone materials, specifically in the context of surface activity. This letter highlights the differences in these structures attractive and repulsive forces while detailing the distances between charge centers. This paper describes the types of interactions within the OPLS-AA force field that explain polyether and polysilicone material solvophilicity, with particular focus on mixed solvent systems. It details how the solvophilicity varies with the relative strength of interactions for these materials at various alcohol contents.