Can I read Molecularly-based Numerical Evaluation of Free Volume in Amorphous Polymers on EtoBox?
Molecularly-based Numerical Evaluation of Free Volume in Amorphous Polymers by Santosh Putta; Sia Nemat-Nasser is a Engineering article available to read on EtoBox.
What is Molecularly-based Numerical Evaluation of Free Volume in Amorphous Polymers about?
A study of the microstructure of polymers is essential for the understanding of their anomalous diffusion properties. The concept of free volume may be utilized to study relaxation phenomena and diffusion processes in polymers. Since a quantitative definition of free volume is not possible, a new concept called available volume is introduced. A simple geometric definition of available volume, relevant for the diffusion of small molecules in polymers, is given, based on the molecular structure. An initial molecular structure is obtained using a modified RIS (rotational isomeric state) approach. Then, with the aid of a molecular mechanics-based minimization procedure, computationally generated molecular structures for some polymers are used to estimate the available volume, using the proposed geometric definition. Numerically evaluated available volume distributions are then compared for different types of amorphous polymers, e.g. polycarbonates and polyacrylates, stressing their relevance to the diffusion properties.
Who reads Molecularly-based Numerical Evaluation of Free Volume in Amorphous Polymers?
It is typically read by researchers, students, and practitioners in Engineering.
- Author
- Santosh Putta; Sia Nemat-Nasser
- Publisher
- Elsevier Science; Elsevier ; Elsevier BV (ISSN 0921-5093)
- Published
- 2001
- Language
- EN
- Field
- Engineering (Physical Sciences)