Simulation of chain molecules for prediction of thermodynamic properties
โ Scribed by Fernando A. Escobedo; Juan J. De Pablo
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 484 KB
- Volume
- 116
- Category
- Article
- ISSN
- 0378-3812
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
A model, developed to account for the concentration dependence of the dimensions of dissolved polymers over a wide concentration range, has been combined with very simple hard sphere statistical mechanical relations to predict thermodynamic properties of the polymer solutions. Estimated values of re
Rcreivcd 7-h May 19%; in final form 18 July 19S3 The thcrmod? namic properties and site-site distribution functions of mixtures of non-spherical molecules are obtaincd by Vontc Carlo simulation. A non-spheriwl rcfcrcncc-system perturbation theory based on the RIShI equation is developed to predict t