A molecular dynamics simulations study on ethylene glycol-water mixtures in mesoporous silica

Rebecca Schmitz; Niels Müller; Svenja Ullmann; Michael Vogel

doi:10.1063/1.4962240

A molecular dynamics simulations study on ethylene glycol-water mixtures in mesoporous silica

The Journal of Chemical Physics ◽

10.1063/1.4962240 ◽

2016 ◽

Vol 145 (10) ◽

pp. 104703 ◽

Cited By ~ 12

Author(s):

Rebecca Schmitz ◽

Niels Müller ◽

Svenja Ullmann ◽

Michael Vogel

Keyword(s):

Molecular Dynamics ◽

Mesoporous Silica ◽

Ethylene Glycol ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

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Conformation of endothelin in aqueous ethylene glycol determined by1H-NMR and molecular dynamics simulations

FEBS Letters ◽

10.1016/0014-5793(91)80396-k ◽

1991 ◽

Vol 281 (1-2) ◽

pp. 212-218 ◽

Cited By ~ 44

Author(s):

Stanley R. Krystek

Keyword(s):

Molecular Dynamics ◽

Ethylene Glycol ◽

Molecular Dynamics Simulations ◽

Aqueous Ethylene Glycol ◽

Dynamics Simulations

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Molecular Dynamics Simulations, Solvatochromic Parameters, and Preferential Solvation in Aqueous Solutions of Ethaline, Ethylene Glycol, and Choline Chloride

Journal of Chemical & Engineering Data ◽

10.1021/acs.jced.0c00381 ◽

2020 ◽

Vol 65 (9) ◽

pp. 4556-4566 ◽

Cited By ~ 1

Author(s):

Meysam Aryafard ◽

Anis Karimi ◽

Ali Reza Harifi-Mood ◽

Babak Minofar

Keyword(s):

Molecular Dynamics ◽

Ethylene Glycol ◽

Aqueous Solutions ◽

Molecular Dynamics Simulations ◽

Choline Chloride ◽

Preferential Solvation ◽

Solvatochromic Parameters ◽

Dynamics Simulations

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Graphene/poly(ethylene glycol) nanocomposites as studied by molecular dynamics simulations

Materials & Design ◽

10.1016/j.matdes.2016.02.078 ◽

2016 ◽

Vol 97 ◽

pp. 163-174 ◽

Cited By ~ 25

Author(s):

Roza-Eleftheria Roussou ◽

Kostas Karatasos

Keyword(s):

Molecular Dynamics ◽

Ethylene Glycol ◽

Molecular Dynamics Simulations ◽

Poly Ethylene Glycol ◽

Poly Ethylene ◽

Dynamics Simulations

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Molecular dynamics simulations of flexible molecules. Part 1.—Aqueous solution of ethylene glycol

Journal of the Chemical Society Faraday Transactions ◽

10.1039/ft9959100031 ◽

1995 ◽

Vol 91 (1) ◽

pp. 31-39 ◽

Cited By ~ 21

Author(s):

Haruhisa Hayashi ◽

Hideki Tanaka ◽

Koichiro Nakanishi

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Ethylene Glycol ◽

Molecular Dynamics Simulations ◽

Flexible Molecules ◽

Dynamics Simulations

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Insights into interactions between poly(ethylene glycol) and proteins from molecular dynamics simulations

10.17077/etd.6ymhv170 ◽

2010 ◽

Author(s):

Eli Dylan Musselman

Keyword(s):

Molecular Dynamics ◽

Ethylene Glycol ◽

Molecular Dynamics Simulations ◽

Poly Ethylene Glycol ◽

Poly Ethylene ◽

Dynamics Simulations

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The performance of non-polarizable and polarizable force-field parameter sets for ethylene glycol in molecular dynamics simulations of the pure liquid and its aqueous mixtures

Molecular Physics ◽

10.1080/00268970701444631 ◽

2007 ◽

Vol 105 (13-14) ◽

pp. 1861-1881 ◽

Cited By ~ 44

Author(s):

D. P. Geerke ◽

W. F. van Gunsteren

Keyword(s):

Molecular Dynamics ◽

Ethylene Glycol ◽

Force Field ◽

Molecular Dynamics Simulations ◽

Field Parameter ◽

Pure Liquid ◽

Aqueous Mixtures ◽

Polarizable Force Field ◽

Force Field Parameter ◽

Dynamics Simulations

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System-size corrections for self-diffusion coefficients calculated from molecular dynamics simulations: The case of CO2, n-alkanes, and poly(ethylene glycol) dimethyl ethers

The Journal of Chemical Physics ◽

10.1063/1.4960776 ◽

2016 ◽

Vol 145 (7) ◽

pp. 074109 ◽

Cited By ~ 38

Author(s):

Othonas A. Moultos ◽

Yong Zhang ◽

Ioannis N. Tsimpanogiannis ◽

Ioannis G. Economou ◽

Edward J. Maginn

Keyword(s):

Molecular Dynamics ◽

Ethylene Glycol ◽

Molecular Dynamics Simulations ◽

Diffusion Coefficients ◽

System Size ◽

Poly Ethylene Glycol ◽

Self Diffusion ◽

Poly Ethylene ◽

Dynamics Simulations

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Molecular dynamics simulations study of the structure and dynamics of nimodipine confined in an ordered mesoporous silica matrix

Chemical Physics ◽

10.1016/j.chemphys.2020.110819 ◽

2020 ◽

Vol 536 ◽

pp. 110819

Author(s):

Aleksandra Pajzderska ◽

Miguel Angel Gonzalez ◽

Jan Wąsicki

Keyword(s):

Molecular Dynamics ◽

Mesoporous Silica ◽

Molecular Dynamics Simulations ◽

Silica Matrix ◽

Ordered Mesoporous Silica ◽

Structure And Dynamics ◽

Ordered Mesoporous ◽

Dynamics Simulations

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Molecular dynamics simulations suggest conformational and hydration difference between zwitterionic poly (carboxybetaine methacrylate) and poly (ethylene glycol)

Chemical Physics ◽

10.1016/j.chemphys.2019.110599 ◽

2020 ◽

Vol 532 ◽

pp. 110599 ◽

Cited By ~ 3

Author(s):

Haomiao Zhu ◽

Li Li ◽

Jian Shen

Keyword(s):

Molecular Dynamics ◽

Ethylene Glycol ◽

Molecular Dynamics Simulations ◽

Poly Ethylene Glycol ◽

Poly Ethylene ◽

Dynamics Simulations

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Some Insight into Stability of Amorphous Poly(ethylene glycol) Dimethyl Ether Polymers Based on Molecular Dynamics Simulations

The Journal of Physical Chemistry Letters ◽

10.1021/jz4008855 ◽

2013 ◽

Vol 4 (10) ◽

pp. 1718-1722 ◽

Cited By ~ 1

Author(s):

Jinjian Wang ◽

Yin Wang ◽

Xiaolei Zhu ◽

Xiaohua Lu

Keyword(s):

Molecular Dynamics ◽

Ethylene Glycol ◽

Molecular Dynamics Simulations ◽

Dimethyl Ether ◽

Poly Ethylene Glycol ◽

Glycol Dimethyl Ether ◽

Ethylene Glycol Dimethyl Ether ◽

Poly Ethylene ◽

Dynamics Simulations ◽

Insight Into

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