Molecular dynamics studies on the aggregating behaviors of cellulose molecules in NaOH/urea aqueous solution

2020 ◽  
Vol 594 ◽  
pp. 124663 ◽  
Author(s):  
Gang Liu ◽  
Wei Li ◽  
Liangliang Chen ◽  
Xin Zhang ◽  
Dechuang Niu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Urea Aqueous Solution

A molecular dynamics study of cellulose inclusion complexes in NaOH/urea aqueous solution

2018 ◽  
Vol 185 ◽  
pp. 12-18 ◽  
Author(s):  
Gang Liu ◽  
Heng Sun ◽  
Guokui Liu ◽  
Heng Zhang ◽  
Shiling Yuan ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Inclusion Complexes ◽  
Urea Aqueous Solution

Molecular Dynamics Study of Aqueous Solution of Polyethylene Oxide: Critical Test of Force Field Models

2013 ◽  
Vol 11 (4) ◽  
pp. 371-383 ◽  
Author(s):  
Yong-Lei Wang ◽  
Rochelle S. Lawrence ◽  
Zhong-Yuan Lu ◽  
Aatto Laaksonen
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Force Field ◽  
Polyethylene Oxide ◽  
Critical Test

scholarly journals Radiation-initiated high strength chitosan/lithium sulfonate double network hydrogel/aerogel with porosity and stability for efficient CO2 capture

RSC Advances ◽  
2021 ◽  
Vol 11 (33) ◽  
pp. 20486-20497
Author(s):  
Zhiyan Liu ◽  
Rui Ma ◽  
Wenjie Du ◽  
Gang Yang ◽  
Tao Chen
Keyword(s):  
Aqueous Solution ◽  
High Strength ◽  
Beam Radiation ◽  
Chitosan Hydrogel ◽  
Double Network ◽  
Electron Beam Radiation ◽  
Freeze Dried ◽  
Urea Aqueous Solution ◽  
Capture Capacity

Chitosan hydrogel is regenerated from alkali/urea aqueous solution and the lithium sulfonate second network is introduced by electron beam radiation-initiated in situ free radical polymerization. The freeze-dried aerogel has CO2 capture capacity.

scholarly journals Trimethylamine-N-oxide: its hydration structure, surface activity, and biological function, viewed by vibrational spectroscopy and molecular dynamics simulations

2017 ◽  
Vol 19 (10) ◽  
pp. 6909-6920 ◽  
Author(s):  
Tatsuhiko Ohto ◽  
Johannes Hunger ◽  
Ellen H. G. Backus ◽  
Wataru Mizukami ◽  
Mischa Bonn ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Molecular Dynamics Simulations ◽  
Surface Activity ◽  
Vibrational Spectroscopy ◽  
Biological Function ◽  
Molecular Simulations ◽  
Structure Surface ◽  
Dynamics Simulations ◽  
Hydrophilicity And Hydrophobicity

Vibrational spectroscopy and molecular simulations revealed the hydrophilicity and hydrophobicity of TMAO in aqueous solution.

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