scholarly journals Dissipative particle dynamics simulation of multicompartment micelle nanoreactor with channel for reactants

RSC Advances ◽  
2018 ◽  
Vol 8 (66) ◽  
pp. 37866-37871 ◽  
Author(s):  
Seung Min Lee ◽  
Nicholas Bond ◽  
Connor Callaway ◽  
Benjamin Clark ◽  
Emily Farmer ◽  
...  
Keyword(s):  
Structural Variation ◽  
Dissipative Particle Dynamics ◽  
Simulation Method ◽  
Particle Dynamics ◽  
Dynamics Simulation ◽  
Reactor Application ◽  
Multicompartment Micelles ◽  
Dissipative Particle Dynamics Simulation

The structural variation of multicompartment micelles is investigated using a dissipative particle dynamics simulation method for nano-reactor application.

scholarly journals Dissipative particle dynamics simulation study of poly(2-oxazoline)-based multicompartment micelle nanoreactor

2016 ◽  
Vol 18 (8) ◽  
pp. 6284-6290 ◽  
Author(s):  
Byeong Jae Chun ◽  
Christina Clare Fisher ◽  
Seung Soon Jang
Keyword(s):  
Internal Structure ◽  
Simulation Study ◽  
Dissipative Particle Dynamics ◽  
Simulation Method ◽  
Particle Dynamics ◽  
Dynamics Simulation ◽  
Multicompartment Micelles ◽  
Dissipative Particle Dynamics Simulation ◽  
Dpd Simulation

We investigate multicompartment micelles for nanoreactor applications, using the DPD simulation method to characterize the internal structure and the distribution of the reactant.

Computer Simulation of Vesicle Fusion

2011 ◽  
Vol 474-476 ◽  
pp. 943-948
Author(s):  
Shao Gui Wu ◽  
Hong Xia Guo
Keyword(s):  
Computer Simulation ◽  
Molecular Level ◽  
Dissipative Particle Dynamics ◽  
Simulation Method ◽  
Particle Dynamics ◽  
Vesicle Fusion ◽  
Simulation System ◽  
Dynamics Simulation ◽  
Dissipative Particle Dynamics Simulation ◽  
Insight Into

A dissipative particle dynamics simulation method is used to get insight into molecular-level details of vesicle fusion in this study. For simplicity, the simulation system contains water and amphiphiles. The fusion mechanism is investigated in detail. It is found that the whole fusion process is in well agreement with the “stalk-pore” hypothesis. The dynamics of vesicle fusion is analyzed by monitoring the time evolutions of morphologies.

Energy Analysis of Vesicle Fusion by Dissipative Particle Dynamics Simulation

2011 ◽  
Vol 474-476 ◽  
pp. 949-954
Author(s):  
Shao Gui Wu ◽  
Hong Xia Guo
Keyword(s):  
Energy Analysis ◽  
Dissipative Particle Dynamics ◽  
Simulation Method ◽  
Particle Dynamics ◽  
Vesicle Fusion ◽  
Pressure Variation ◽  
Dynamics Simulation ◽  
Interaction Energies ◽  
Particle Pairs ◽  
Dissipative Particle Dynamics Simulation

A dissipative particle dynamics simulation method is used to investigate the vesicle fusion behavior in this study, especially to probe the driving force for vesicle fusion. Based on the former study, the fusion mechanism is investigated from the point of conservative energies. It is found that the total energy is decreasing during vesicle fusion, which is mainly caused by the reduction of conservative energy. Through further exploring the six interaction energies of particle-pairs, it is demonstrated that the energy reduction is attributed to the interaction energy between water and amphiphiles. The pressure variation confirms that vesicle fusion is a process of energy releasing.

A dissipative particle dynamics simulation study on phase diagrams for the self-assembly of amphiphilic hyperbranched multiarm copolymers in various solvents

Soft Matter ◽  
2017 ◽  
Vol 13 (36) ◽  
pp. 6178-6188 ◽  
Author(s):  
Haina Tan ◽  
Chunyang Yu ◽  
Zhongyuan Lu ◽  
Yongfeng Zhou ◽  
Deyue Yan
Keyword(s):  
Phase Diagrams ◽  
Simulation Study ◽  
Self Assembly ◽  
Dissipative Particle Dynamics ◽  
Particle Dynamics ◽  
The Self ◽  
Dynamics Simulation ◽  
Dynamics Simulations ◽  
First Time ◽  
Dissipative Particle Dynamics Simulation

This work discloses for the first time the self-assembly phase diagrams of amphiphilic hyperbranched multiarm copolymers in various solvents by dissipative particle dynamics simulations.

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