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High pressure miscibility predictions of polyethylene in hexane solutions based on molecular dynamics

✍ Scribed by Shahamat, Moeed; Rey, Alejandro D.

Book ID
121655127
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
969 KB
Volume
49
Category
Article
ISSN
0014-3057

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πŸ“œ SIMILAR VOLUMES

Characterization of Pressure Effects on
Characterization of Pressure Effects on the Cohesive Properties and Structure of Hexane and Polyethylene Using Molecular Dynamics Simulations
✍ Moeed Shahamat; Alejandro D. Rey πŸ“‚ Article πŸ“… 2012 πŸ› John Wiley and Sons 🌐 English βš– 593 KB

## Abstract Molecular dynamics (MD) simulations using the OPLS‐AA force field are conducted to compute pressure‐ and molecular‐weight‐dependence of Hildebrand's solubility parameters of hexane and high‐density polyethylene (HDPE) at high pressures. The pressure dependence investigation also capture