Adsorption of poly acrylic acid onto the surface of calcite: an experimental and simulation study

Acrylic Acid ◽

Simulation Study ◽

Dynamics Simulation ◽

Poly acrylic acid polymer binding to the surface of calcite during a molecular dynamics simulation.

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 ◽

Acrylic Acid ◽

Simulation Study ◽

Dynamics Simulation ◽

Dilute Aqueous Solution ◽

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 ◽

Cited By ~ 30

Author(s):

Qinghua Wei ◽

Yanen Wang ◽

Weihong Chai ◽

Tao Wang ◽

Yingfeng Zhang

Keyword(s):

Molecular Dynamics ◽

Acrylic Acid ◽

Simulation Study ◽

Vinyl Alcohol ◽

Dynamics Simulation ◽

Poly Vinyl Alcohol ◽

Blend Membrane ◽

Composition Ratio ◽

Structure and Dynamics of Pyrene-Labeled Poly(acrylic acid): Molecular Dynamics Simulation Study

Chemistry & Chemical Technology ◽

10.23939/chcht14.01.076 ◽

2020 ◽

Vol 14 (1) ◽

pp. 76-80 ◽

Cited By ~ 1

Author(s):

Maria Slavgorodska ◽

◽

Alexander Kyrychenko ◽

Keyword(s):

Molecular Dynamics ◽

Acrylic Acid ◽

Simulation Study ◽

Dynamics Simulation ◽

Structure And Dynamics ◽

Interaction of the calcium ion with poly(acrylic acid) as investigated by a combination of molecular dynamics simulation and X-ray absorption spectroscopy

Journal of Polymer Research ◽

10.1007/s10965-015-0895-z ◽

2015 ◽

Vol 23 (1) ◽

Cited By ~ 5

Author(s):

Visit Vao-soongnern ◽

Kesorn Merat ◽

Suksun Horpibulsuk

Keyword(s):

Molecular Dynamics ◽

Acrylic Acid ◽

Absorption Spectroscopy ◽

Calcium Ion ◽

Dynamics Simulation ◽

X Ray ◽

X Ray Absorption ◽

Molecular dynamics simulation study of the response of polyurea to a shock

10.26226/morressier.5f5f8e69aa777f8ba5bd5f91 ◽

2020 ◽

Author(s):

Manva Manva

Keyword(s):

Molecular Dynamics ◽

Simulation Study ◽

Salient Structural Features of Human Lemur Tyrosine Kinase 3 (LMTK3) Domain from Molecular Dynamics Simulation Study

Current Biotechnology ◽

10.2174/2213529404666180125161856 ◽

2018 ◽

Vol 7 (4) ◽

pp. 309-316

Author(s):

Himakshi Sarma ◽

Venkata Satish Kumar Mattaparthi

Keyword(s):

Molecular Dynamics ◽

Tyrosine Kinase ◽

Simulation Study ◽

Structural Features ◽

Ab initio path integral molecular dynamics simulation study on the dihydrogen bond of NH4+⋯BeH2

Chemical Physics Letters ◽

10.1016/j.cplett.2005.05.035 ◽

2005 ◽

Vol 410 (1-3) ◽

pp. 54-58 ◽

Cited By ~ 12

Author(s):

Aiko Hayashi ◽

Motoyuki Shiga ◽

Masanori Tachikawa

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Path Integral ◽

Simulation Study ◽

Dynamics Simulation ◽

Dihydrogen Bond

Anomalous pressure dependence of the structure factor in 1,4-polybutadiene melts: A molecular dynamics simulation study

Physical Review E ◽

10.1103/physreve.70.011804 ◽

2004 ◽

Vol 70 (1) ◽

Cited By ~ 11

Author(s):

Dmitry Bedrov ◽

Grant D. Smith ◽

Wolfgang Paul

Keyword(s):

Molecular Dynamics ◽

Simulation Study ◽

Pressure Dependence ◽

Structure Factor ◽

Regimes of Flow over Complex Structures of Endothelial Glycocalyx: A Molecular Dynamics Simulation Study

Scientific Reports ◽

10.1038/s41598-018-24041-7 ◽

2018 ◽

Vol 8 (1) ◽

Cited By ~ 6

Author(s):

Xi Zhuo Jiang ◽

Muye Feng ◽

Yiannis Ventikos ◽

Kai H. Luo

Keyword(s):

Molecular Dynamics ◽

Simulation Study ◽

Dynamics Simulation ◽

Endothelial Glycocalyx ◽

Complex Structures

Molecular dynamics simulation study of the effect of a strong electric field on the structure of a poly(oxyethylene) chain in explicit solvents

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.116622 ◽

2021 ◽

pp. 116622

Author(s):

Šárka Dědičová ◽

Jan Dočkal ◽

Filip Moučka ◽

Jan Jirsák

Keyword(s):

Molecular Dynamics ◽

Electric Field ◽

Simulation Study ◽

Strong Electric Field ◽