A comparison of united atom, explicit atom, and coarse-grained simulation models for poly(ethylene oxide)

2006 ◽  
Vol 124 (23) ◽  
pp. 234901 ◽  
Author(s):  
Chunxia Chen ◽  
Praveen Depa ◽  
Victoria García Sakai ◽  
Janna K. Maranas ◽  
Jeffrey W. Lynn ◽  
...  
Keyword(s):  
Ethylene Oxide ◽  
Simulation Models ◽  
Coarse Grained ◽  
Poly Ethylene Oxide ◽  
Poly Ethylene

Coarse-Grained Simulations of Rapid Assembly Kinetics for Polystyrene-b-poly(ethylene oxide) Copolymers in Aqueous Solutions

2008 ◽  
Vol 112 (51) ◽  
pp. 16357-16366 ◽  
Author(s):  
Ting Chen ◽  
Antti-Pekka Hynninen ◽  
Robert K. Prud’homme ◽  
Ioannis G. Kevrekidis ◽  
Athanassios Z. Panagiotopoulos
Keyword(s):  
Ethylene Oxide ◽  
Aqueous Solutions ◽  
Coarse Grained ◽  
Assembly Kinetics ◽  
Poly Ethylene Oxide ◽  
Coarse Grained Simulations ◽  
Poly Ethylene

The coarse-grained models of poly(ethylene oxide) and poly(propylene oxide) homopolymers and poloxamers in big multipole water (BMW) and MARTINI frameworks

2020 ◽  
Vol 22 (28) ◽  
pp. 15976-15985
Author(s):  
Su-Min Ma ◽  
Li Zhao ◽  
Yong-Lei Wang ◽  
You-Liang Zhu ◽  
Zhong-Yuan Lu
Keyword(s):  
Ethylene Oxide ◽  
Propylene Oxide ◽  
Polyethylene Oxide ◽  
Coarse Grained ◽  
Effective Potentials ◽  
Poly Ethylene Oxide ◽  
Poly Ethylene ◽  
Poly Propylene

Coarse-grained models and effective potentials for polyethylene oxide (PEO) and poly(propylene oxide) (PPO) homopolymers and poloxamers in the BMW–MARTINI framework.

The Structure of Radiation Cross-Linked Poly (ethylene oxide) Gels

1971 ◽  
Vol 29 ◽  
pp. 76-77
Author(s):  
C. E. Cluthe ◽  
G. G. Cocks
Keyword(s):  
Molecular Weight ◽  
Ethylene Oxide ◽  
Parallel Plate ◽  
Average Molecular Weight ◽  
Radical Reaction ◽  
Free Radical Reaction ◽  
Nitrogen Gas ◽  
Poly Ethylene Oxide ◽  
Poly Ethylene ◽  
Initial Viscosity

Aqueous solutions of a 1 weight-per cent poly (ethylene oxide) (PEO) were degassed under vacuum, transferred to a parallel plate viscometer under a nitrogen gas blanket, and exposed to Co60 gamma radiation. The Co60 source was rated at 4000 curies, and the dose ratewas 3.8x105 rads/hr. The poly (ethylene oxide) employed in the irradiations had an initial viscosity average molecular weight of 2.1 x 106.The solutions were gelled by a free radical reaction with dosages ranging from 5x104 rads to 4.8x106 rads.

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