Calculation of diffusion coefficient of long chain molecules using molecular dynamics

2015 ◽  
Vol 69 ◽  
pp. 371-377 ◽  
Author(s):  
Tanmoy Chakraborty ◽  
Abhiram Hens ◽  
Shashank Kulashrestha ◽  
Naresh Chandra Murmu ◽  
Priyabrata Banerjee
Keyword(s):  
Molecular Dynamics ◽  
Diffusion Coefficient ◽  
Chain Molecules ◽  
Long Chain

Direct observation of long chain enrichment in flow-induced nuclei from molecular dynamics simulations of bimodal blends

Soft Matter ◽  
2021 ◽  
Vol 17 (10) ◽  
pp. 2872-2882
Author(s):  
Muhammad Anwar ◽  
Richard S. Graham
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Direct Observation ◽  
Dynamics Simulations ◽  
Long Chain ◽  
Long Chains

Modelling of flow-induced nucleation in polymers suggest that long chains are enriched in nuclei, relative to their melt concentration.

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