Phase behavior of aqueous polyacrylic acid solutions using atomistic molecular dynamics simulations of model oligomers

Phase Behavior ◽

Polyacrylic Acid ◽

Acid Solutions ◽

Molecular Dynamics Simulations of Highly Crowded Amino Acid Solutions: Comparisons of Eight Different Force Field Combinations with Experiment and with Each Other

Journal of Chemical Theory and Computation ◽

10.1021/ct400371h ◽

2013 ◽

Vol 9 (10) ◽

pp. 4585-4602 ◽

Cited By ~ 30

Author(s):

Casey T. Andrews ◽

Adrian H. Elcock

Keyword(s):

Molecular Dynamics ◽

Amino Acid ◽

Force Field ◽

Acid Solutions ◽

Amino Acid Solutions ◽

Erratum to Molecular Dynamics Simulations of Highly Crowded Amino Acid Solutions: Comparisons of Eight Different Force Field Combinations with Experiment and with Each Other

Journal of Chemical Theory and Computation ◽

10.1021/ct500151a ◽

2014 ◽

Vol 10 (4) ◽

pp. 1834-1834

Author(s):

Casey T. Andrews ◽

Adrian H. Elcock

Keyword(s):

Molecular Dynamics ◽

Amino Acid ◽

Force Field ◽

Acid Solutions ◽

Amino Acid Solutions ◽

Experimental, Monte Carlo and molecular dynamics simulations to investigate corrosion inhibition of mild steel in hydrochloric acid solutions

Arabian Journal of Chemistry ◽

10.1016/j.arabjc.2010.11.005 ◽

2014 ◽

Vol 7 (3) ◽

pp. 319-326 ◽

Cited By ~ 40

Author(s):

K.F. Khaled ◽

A. El-Maghraby

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Hydrochloric Acid ◽

Mild Steel ◽

Corrosion Inhibition ◽

Acid Solutions ◽

Hydrochloric Acid Solutions ◽

Ab Initio Molecular Dynamics Simulations of the Liquid/Vapor Interface of Sulfuric Acid Solutions

The Journal of Physical Chemistry A ◽

10.1021/jp2126398 ◽

2012 ◽

Vol 116 (23) ◽

pp. 5637-5652 ◽

Cited By ~ 12

Author(s):

Audrey Dell Hammerich ◽

Victoria Buch

Keyword(s):

Molecular Dynamics ◽

Sulfuric Acid ◽

Ab Initio ◽

Ab Initio Molecular Dynamics ◽

Acid Solutions ◽

Vapor Interface ◽

Dynamics Simulations ◽

Sulfuric Acid Solutions ◽

Liquid Vapor

Experimental, density function theory calculations and molecular dynamics simulations to investigate the adsorption of some thiourea derivatives on iron surface in nitric acid solutions

Applied Surface Science ◽

10.1016/j.apsusc.2010.04.085 ◽

2010 ◽

Vol 256 (22) ◽

pp. 6753-6763 ◽

Cited By ~ 64

Author(s):

K.F. Khaled

Keyword(s):

Molecular Dynamics ◽

Nitric Acid ◽

Function Theory ◽

Density Function Theory ◽

Acid Solutions ◽

Thiourea Derivatives ◽

Nitric Acid Solutions ◽

Dynamics Simulations ◽

Experimental Density

Improved coarse-grain model to unravel the phase behavior of 1-alkyl-3-methylimidazolium-based ionic liquids through molecular dynamics simulations

Journal of Colloid and Interface Science ◽

10.1016/j.jcis.2020.04.063 ◽

2020 ◽

Vol 574 ◽

pp. 324-336 ◽

Cited By ~ 4

Author(s):

Emanuel A. Crespo ◽

Nicolas Schaeffer ◽

João A.P. Coutinho ◽

German Perez-Sanchez

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Phase Behavior ◽

Coarse Grain ◽

Grain Model ◽

Investigating physical behavior of polyacrylamide/polyacrylic acid interpenetrating polymer networks through atomistic molecular dynamics simulations

Mechanics Of Soft Materials ◽

10.1007/s42558-021-00038-7 ◽

2021 ◽

Vol 3 (1) ◽

Author(s):

Kamel Boudraa ◽

Tewfik Bouchaour

Keyword(s):

Molecular Dynamics ◽

Polyacrylic Acid ◽

Polymer Networks ◽

Interpenetrating Polymer Networks ◽

Physical Behavior ◽

Molecular Dynamics Simulations Reveal the Impact of Compositional Asymmetry in Lipid Membranes on Phase Behavior and Leaflet Interactions

Biophysical Journal ◽

10.1016/j.bpj.2016.11.2049 ◽

2017 ◽

Vol 112 (3) ◽

pp. 377a

Author(s):

Michael D. Weiner ◽

Gerald W. Feigenson

Keyword(s):

Molecular Dynamics ◽

Phase Behavior ◽

Lipid Membranes ◽

Dynamics Simulations ◽

The Impact

All-atom molecular dynamics simulations of weak polyionic brushes: influence of charge density on the properties of polyelectrolyte chains, brush-supported counterions, and water molecules

Soft Matter ◽

10.1039/d0sm01000f ◽

2020 ◽

Vol 16 (33) ◽

pp. 7808-7822

Author(s):

Harnoor Singh Sachar ◽

Turash Haque Pial ◽

Bhargav Sai Chava ◽

Siddhartha Das

Keyword(s):

Molecular Dynamics ◽

Charge Density ◽

Polyacrylic Acid ◽

Water Molecules ◽

All-atom molecular dynamics simulations are used to probe the effects of charge density on the microstructure of polyacrylic acid brushes.

The use of two-phase molecular dynamics simulations to determine the phase behavior and critical point of propane molecular models

The Journal of Chemical Physics ◽

10.1063/1.3528117 ◽

2011 ◽

Vol 134 (2) ◽

pp. 024101 ◽

Cited By ~ 7

Author(s):

Sonal Patel ◽

W. Vincent Wilding ◽

Richard L. Rowley

Keyword(s):

Molecular Dynamics ◽

Phase Behavior ◽

Critical Point ◽

Molecular Models ◽

Two Phase ◽