Poly(vinyl alcohol) Oligomer in Dilute Aqueous Solution: A Comparative Molecular Dynamics Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/jp305296p ◽

2012 ◽

Vol 116 (33) ◽

pp. 10008-10019 ◽

Author(s):

Giulio Tesei ◽

Gaio Paradossi ◽

Ester Chiessi

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Vinyl Alcohol ◽

Dynamics Simulation ◽

Poly Vinyl Alcohol ◽

Dilute Aqueous Solution

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Achieving an Optimal Tg Change by Elucidating the Polymer–Nanoparticle Interface: A Molecular Dynamics Simulation Study of the Poly(vinyl alcohol)–Silica Nanocomposite System

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.9b05545 ◽

2019 ◽

Vol 123 (39) ◽

pp. 23995-24006 ◽

Author(s):

Souvik Chakraborty ◽

Freda C. H. Lim ◽

Jun Ye

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Vinyl Alcohol ◽

Dynamics Simulation ◽

Poly Vinyl Alcohol ◽

Polymer Nanoparticle ◽

Nanocomposite System ◽

Silica Nanocomposite

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Conformational and intermolecular structure of stereoregular isomers of poly(acrylic acid) (PAA) and Na+-poly(acrylate) polyelectrolyte (Na+-PAA) in dilute aqueous solution: a molecular dynamics simulation study

Molecular Simulation ◽

10.1080/08927022.2020.1846036 ◽

2020 ◽

Vol 46 (18) ◽

pp. 1483-1499

Author(s):

Yogendra Kumar ◽

Abhishek K. Gupta ◽

Upendra Natarajan

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulation ◽

Acrylic Acid ◽

Simulation Study ◽

Dynamics Simulation ◽

Dilute Aqueous Solution ◽

Poly Acrylic Acid

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Water and Polymer Dynamics in Chemically Cross-Linked Hydrogels of Poly(vinyl alcohol): A Molecular Dynamics Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/jp0671143 ◽

2007 ◽

Vol 111 (11) ◽

pp. 2820-2827 ◽

Author(s):

Ester Chiessi ◽

Francesca Cavalieri ◽

Gaio Paradossi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Vinyl Alcohol ◽

Dynamics Simulation ◽

Polymer Dynamics ◽

Poly Vinyl Alcohol

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Influence of Surface Concentration on Poly(vinyl alcohol) Behavior at the Water–Vacuum Interface: A Molecular Dynamics Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/jp502486a ◽

2014 ◽

Vol 118 (24) ◽

pp. 6946-6955 ◽

Author(s):

Giulio Tesei ◽

Gaio Paradossi ◽

Ester Chiessi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Vinyl Alcohol ◽

Surface Concentration ◽

Dynamics Simulation ◽

Poly Vinyl Alcohol ◽

Vacuum Interface ◽

Alcohol Behavior

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Effects of composition ratio on the properties of poly(vinyl alcohol)/poly(acrylic acid) blend membrane: A molecular dynamics simulation study

Materials & Design ◽

10.1016/j.matdes.2015.10.048 ◽

2016 ◽

Vol 89 ◽

pp. 848-855 ◽

Author(s):

Qinghua Wei ◽

Yanen Wang ◽

Weihong Chai ◽

Tao Wang ◽

Yingfeng Zhang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Acrylic Acid ◽

Simulation Study ◽

Vinyl Alcohol ◽

Dynamics Simulation ◽

Poly Vinyl Alcohol ◽

Blend Membrane ◽

Composition Ratio ◽

Poly Acrylic Acid

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Microstructure-related performances of poly(vinyl alcohol)-silica hybrid membranes: a molecular dynamics simulation study

Journal of Materials Chemistry ◽

10.1039/c2jm30653k ◽

2012 ◽

Vol 22 (21) ◽

pp. 10860 ◽

Author(s):

Qiu Gen Zhang ◽

Qing Lin Liu ◽

Shu Ping Huang ◽

Wei Wen Hu ◽

Ai Mei Zhu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Vinyl Alcohol ◽

Dynamics Simulation ◽

Poly Vinyl Alcohol ◽

Hybrid Membranes ◽

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Molecular and condition parameters dependent diffusion coefficient of water in poly(vinyl alcohol): a molecular dynamics simulation study

Colloid & Polymer Science ◽

10.1007/s00396-017-4077-x ◽

2017 ◽

Vol 295 (5) ◽

pp. 859-868 ◽

Author(s):

Fei Ni ◽

Guangchun Wang ◽

Haibin Zhao

Keyword(s):

Molecular Dynamics ◽

Diffusion Coefficient ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Vinyl Alcohol ◽

Dynamics Simulation ◽

Poly Vinyl Alcohol

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Microstructure dependent diffusion of water–ethanol in swollen poly(vinyl alcohol): A molecular dynamics simulation study

Chemical Engineering Science ◽

10.1016/j.ces.2008.10.028 ◽

2009 ◽

Vol 64 (2) ◽

pp. 334-340 ◽

Author(s):

Qiu Gen Zhang ◽

Qing Lin Liu ◽

Yu Chen ◽

Jian Yang Wu ◽

Ai Mei Zhu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Vinyl Alcohol ◽

Dynamics Simulation ◽

Poly Vinyl Alcohol

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Polymer and Water Dynamics in Poly(vinyl alcohol)/Poly(methacrylate) Networks. A Molecular Dynamics Simulation and Incoherent Neutron Scattering Investigation

Polymers ◽

10.3390/polym3041805 ◽

2011 ◽

Vol 3 (4) ◽

pp. 1805-1832 ◽

Author(s):

Gaio Paradossi ◽

Ivana Finelli ◽

Francesca Natali ◽

Mark T. F. Telling ◽

Ester Chiessi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Neutron Scattering ◽

Vinyl Alcohol ◽

Water Dynamics ◽

Dynamics Simulation ◽

Poly Vinyl Alcohol ◽

Incoherent Neutron Scattering ◽

Incoherent Neutron

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Effects of Urea, Tetramethyl Urea, and TrimethylamineN-Oxide on Aqueous Solution Structure and Solvation of Protein Backbones: A Molecular Dynamics Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/jp9084926 ◽

2010 ◽

Vol 114 (1) ◽

pp. 557-568 ◽

Author(s):

Haiyan Wei ◽

Yubo Fan ◽

Yi Qin Gao

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Solution Structure ◽

Dynamics Simulation ◽

Protein Backbones

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