Prediction of Infinite Dilution Benzene Solubility in Linear Polyethylene Melts via the Direct Particle Deletion Method

2010 ◽  
Vol 114 (19) ◽  
pp. 6233-6246 ◽  
Author(s):  
Maria Grazia De Angelis ◽  
Georgios C. Boulougouris ◽  
Doros N. Theodorou
Keyword(s):  
Infinite Dilution ◽  
Linear Polyethylene ◽  
Polyethylene Melts

scholarly journals Chain Dynamics of Ring and Linear Polyethylene Melts from Molecular Dynamics Simulations

2011 ◽  
Vol 44 (7) ◽  
pp. 2311-2315 ◽  
Author(s):  
Kahyun Hur ◽  
Cheol Jeong ◽  
Roland G. Winkler ◽  
Naida Lacevic ◽  
Richard H. Gee ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Linear Polyethylene ◽  
Chain Dynamics ◽  
Polyethylene Melts ◽  
Dynamics Simulations

Atomistic Molecular Dynamics Simulation of Polydisperse Linear Polyethylene Melts

1998 ◽  
Vol 31 (22) ◽  
pp. 7934-7943 ◽  
Author(s):  
Vagelis A. Harmandaris ◽  
Vlasis G. Mavrantzas ◽  
Doros N. Theodorou
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Linear Polyethylene ◽  
Polyethylene Melts

Excess entropy scaling for the segmental and global dynamics of polyethylene melts

2014 ◽  
Vol 16 (44) ◽  
pp. 24301-24311 ◽  
Author(s):  
Evangelos Voyiatzis ◽  
Florian Müller-Plathe ◽  
Michael C. Böhm
Keyword(s):  
Scaling Laws ◽  
Excess Entropy ◽  
Global Dynamics ◽  
Linear Polyethylene ◽  
Polyethylene Melts

The range of validity of the Rosenfeld and Dzugutov excess entropy scaling laws is analyzed for unentangled linear polyethylene chains.

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