Effect of γ-substituted poly(ɛ-caprolactone) chain length on its coil-to-globule transition temperature in water: A molecular dynamics simulation study

Chemical Physics ◽

10.1016/j.chemphys.2019.110506 ◽

2019 ◽

Vol 527 ◽

pp. 110506 ◽

Author(s):

Amin Koochaki ◽

Mohammad Reza Moghbeli ◽

Sousa Javan Nikkhah

Keyword(s):

Molecular Dynamics ◽

Transition Temperature ◽

Molecular Dynamics Simulation ◽

Chain Length ◽

Simulation Study ◽

Dynamics Simulation

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Glassy State and Glass Transition-Its Elucidation and New Applications. II. Molecular Dynamics Simulation Study on the Bulk Modulus above and below the Glass Transition Temperature.

KOBUNSHI RONBUNSHU ◽

10.1295/koron.53.852 ◽

1996 ◽

Vol 53 (12) ◽

pp. 852-859 ◽

Author(s):

Kenji MORIKAMI ◽

Eiji KUCHIKI ◽

Tetsuya KAWAMURA ◽

Yuji FUJITA ◽

Shigeyuki TOKI

Keyword(s):

Molecular Dynamics ◽

Glass Transition ◽

Transition Temperature ◽

Glass Transition Temperature ◽

Molecular Dynamics Simulation ◽

Bulk Modulus ◽

Simulation Study ◽

Glassy State ◽

Dynamics Simulation ◽

New Applications

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Effects of variation in chain length on ternary polymer electrolyte – Ionic liquid mixture – A molecular dynamics simulation study

Journal of Power Sources ◽

10.1016/j.jpowsour.2015.06.030 ◽

2015 ◽

Vol 293 ◽

pp. 983-992 ◽

Author(s):

S.G. Raju ◽

Krishnan S. Hariharan ◽

Da-Hye Park ◽

HyoRang Kang ◽

Subramanya Mayya Kolake

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulation ◽

Polymer Electrolyte ◽

Chain Length ◽

Simulation Study ◽

Liquid Mixture ◽

Dynamics Simulation ◽

Ternary Polymer

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Experimental and Molecular Dynamics Simulation Study on the Effects of the Carbon Chain Length of Gemini Surfactants on the Inhibition of the Acid-Rock Reaction Rate

Langmuir ◽

10.1021/acs.langmuir.1c00171 ◽

2021 ◽

Vol 37 (17) ◽

pp. 5232-5241

Author(s):

Feng Zhao ◽

Shibin Wang ◽

Jianchun Guo

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Chain Length ◽

Simulation Study ◽

Reaction Rate ◽

Gemini Surfactants ◽

Carbon Chain ◽

Dynamics Simulation ◽

Carbon Chain Length ◽

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Effects of Alkyl Chain Length on Interfacial Structure and Differential Capacitance in Graphene Supercapacitors: A Molecular Dynamics Simulation Study

Electrochimica Acta ◽

10.1016/j.electacta.2017.06.169 ◽

2017 ◽

Vol 247 ◽

pp. 634-645 ◽

Author(s):

Sungsik Jo ◽

Sang-Won Park ◽

Youngseon Shim ◽

YounJoon Jung

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Chain Length ◽

Simulation Study ◽

Alkyl Chain ◽

Differential Capacitance ◽

Alkyl Chain Length ◽

Interfacial Structure ◽

Dynamics Simulation

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A novel shift in the glass transition temperature of polymer nanocomposites: A molecular dynamics simulation study

Physical Chemistry Chemical Physics ◽

10.1039/d1cp00321f ◽

2021 ◽

Author(s):

Raja Azhar Ashraaf Khan ◽

Xian Chen ◽

Hang-Kai Qi ◽

Jian-Hua Huang ◽

Meng-Bo Luo

Keyword(s):

Molecular Dynamics ◽

Glass Transition ◽

Transition Temperature ◽

Glass Transition Temperature ◽

Molecular Dynamics Simulation ◽

Polymer Nanocomposites ◽

Simulation Study ◽

Dynamics Simulation ◽

Dynamics Simulations ◽

The effect of nanoparticles on the glass transition temperature, Tg, of polymer nanocomposites is studied by using molecular dynamics simulations. Tg is estimated from the variation of system volume with...

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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 ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation

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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 ◽

Molecular Dynamics Simulation ◽

Tyrosine Kinase ◽

Simulation Study ◽

Structural Features ◽

Dynamics Simulation

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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 ◽

Author(s):

Aiko Hayashi ◽

Motoyuki Shiga ◽

Masanori Tachikawa

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ab Initio ◽

Path Integral ◽

Simulation Study ◽

Dynamics Simulation ◽

Dihydrogen Bond

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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) ◽

Author(s):

Dmitry Bedrov ◽

Grant D. Smith ◽

Wolfgang Paul

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Pressure Dependence ◽

Structure Factor ◽

Dynamics Simulation

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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) ◽

Author(s):

Xi Zhuo Jiang ◽

Muye Feng ◽

Yiannis Ventikos ◽

Kai H. Luo

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Endothelial Glycocalyx ◽

Complex Structures

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