A combination of experiments and molecular dynamics simulation for the investigation of the ion-exchange adsorption of biological macromolecules

Computer Aided Chemical Engineering - 23rd European Symposium on Computer Aided Process Engineering ◽

10.1016/b978-0-444-63234-0.50005-1 ◽

2013 ◽

pp. 25-30 ◽

Author(s):

Juan Liang ◽

Georg Fieg

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ion Exchange ◽

Dynamics Simulation ◽

Biological Macromolecules ◽

Exchange Adsorption

Download Full-text

Ion-Exchange and Computaional Chemistry (4) Structural Analysis of Macromolecules by Molecular Dynamics Simulation

Journal of Ion Exchange ◽

10.5182/jaie.17.75 ◽

2006 ◽

Vol 17 (2) ◽

pp. 75-82

Author(s):

Kazuya UEZU ◽

Kentaro MIYOSHI

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Structural Analysis ◽

Ion Exchange ◽

Dynamics Simulation

Download Full-text

Molecular Dynamics Simulation Study of Ion Exchange Membranes for Fuel Cell Application

ECS Meeting Abstracts ◽

10.1149/ma2018-01/45/2636 ◽

2018 ◽

Keyword(s):

Molecular Dynamics ◽

Fuel Cell ◽

Molecular Dynamics Simulation ◽

Ion Exchange ◽

Simulation Study ◽

Dynamics Simulation ◽

Ion Exchange Membranes ◽

Fuel Cell Application

Download Full-text

Ab initio molecular dynamics simulation of hydration and ion-exchange processes in low Al-zeolites

Microporous and Mesoporous Materials ◽

10.1016/s1387-1811(00)00311-5 ◽

2001 ◽

Vol 42 (1) ◽

pp. 1-19 ◽

Author(s):

Ľ Benco ◽

T Demuth ◽

J Hafner ◽

F Hutschka

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ion Exchange ◽

Ab Initio ◽

Dynamics Simulation ◽

Ab Initio Molecular Dynamics ◽

Exchange Processes

Download Full-text

Wettability alteration by smart water multi-ion exchange in carbonates: A molecular dynamics simulation study

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.115830 ◽

2021 ◽

pp. 115830

Author(s):

Shixun Bai ◽

Jan Kubelka ◽

Mohammad Piri

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ion Exchange ◽

Simulation Study ◽

Dynamics Simulation ◽

Wettability Alteration ◽

Download Full-text

Investigation of ion-exchange ‘stuffed’ glass structures by molecular dynamics simulation

Journal of Non-Crystalline Solids ◽

10.1016/j.jnoncrysol.2012.05.025 ◽

2012 ◽

Vol 358 (24) ◽

pp. 3539-3545 ◽

Author(s):

Patrick K. Kreski ◽

Arun K. Varshneya ◽

Alastair N. Cormack

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ion Exchange ◽

Dynamics Simulation

Download Full-text

Zeolite-like Metal–organic Framework for Water Purification through Ion Exchange: A Molecular Dynamics Simulation Study

Proceedings of the 14th Asia Pacific Confederation of Chemical Engineering Congress ◽

10.3850/978-981-07-1445-1_180 ◽

2012 ◽

Author(s):

Anjaiah Nalaparaju ◽

Jianwen Jiang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ion Exchange ◽

Simulation Study ◽

Water Purification ◽

Metal Organic Framework ◽

Dynamics Simulation ◽

Metal Organic ◽

Organic Framework

Download Full-text

Rotational dynamics and velocity segregation in plastic KCIO4: a molecular dynamics simulation

Molecular Physics ◽

10.1080/00268979809482256 ◽

1998 ◽

Vol 93 (5) ◽

pp. 703-711

Author(s):

F. AFFOUARD ◽

PH. DEPONDT

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Rotational Dynamics ◽

Dynamics Simulation

Download Full-text

Molecular dynamics simulation of the dynamics of supercooled silica

Philosophical Magazine B ◽

10.1080/014186398259374 ◽

1998 ◽

Vol 77 (2) ◽

pp. 297-303 ◽

Author(s):

J. Horbach, W. Kob, K. Binder

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation

Download Full-text

ACPD ligands for glutamic receptors : conformational analysis by NMR spectroscopy and molecular dynamics. Simulation in water of glutamic acid analogues containing a cyclopentane ring

Journal de Chimie Physique ◽

10.1051/jcp/1995921809 ◽

1995 ◽

Vol 92 ◽

pp. 1809-1812

Author(s):

V Larue ◽

J Gharby-Benarous ◽

D Todeschi ◽

F Acher ◽

R Azerad ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

Glutamic Acid ◽

Dynamics Simulation ◽

Cyclopentane Ring

Download Full-text

Nonequilibrium effects in electron-ion strongly coupled plasmas. Molecular dynamics simulation

Journal de Physique IV (Proceedings) ◽

10.1051/jp4:2000545 ◽

2000 ◽

Vol 10 (PR5) ◽

pp. Pr5-255-Pr5-258 ◽

Author(s):

G. E. Norman ◽

A. A. Valuev ◽

I. A. Valuev

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Strongly Coupled ◽

Strongly Coupled Plasmas ◽

Nonequilibrium Effects ◽

Coupled Plasmas

Download Full-text