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Title: Dissipative Particle Dynamics Simulation Study of Poly(2-Oxazoline)-based Multicompartment Micelle Nanoreactor

Abstract

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

Authors:
 [1];  [1]; ORCiD logo [1]
  1. Georgia Institute of Technology, Atlanta, GA (United States)
Publication Date:
Research Org.:
Georgia Institute of Technology, Atlanta, GA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)
OSTI Identifier:
1656967
Alternate Identifier(s):
OSTI ID: 1657068
Grant/Contract Number:  
FG02-03ER15459; OCI-0910735
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Physical Chemistry Chemical Physics. PCCP (Print)
Additional Journal Information:
Journal Volume: 18; Journal Issue: 8; Journal ID: ISSN 1463-9076
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY; 97 MATHEMATICS AND COMPUTING; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; Hydrolytic kinetic resolution; multicompartment micelle; dissipative particle dynamics simulation; Flory-Huggins interaction parameter; Dissipative Particle Dynamics Simulation, Multicompartment Micelle, Nanoreactor

Citation Formats

Chun, Byeong Jae, Fisher, Christina Clare, and Jang, Seung Soon. Dissipative Particle Dynamics Simulation Study of Poly(2-Oxazoline)-based Multicompartment Micelle Nanoreactor. United States: N. p., 2016. Web. doi:10.1039/c5cp07100c.
Chun, Byeong Jae, Fisher, Christina Clare, & Jang, Seung Soon. Dissipative Particle Dynamics Simulation Study of Poly(2-Oxazoline)-based Multicompartment Micelle Nanoreactor. United States. https://doi.org/10.1039/c5cp07100c
Chun, Byeong Jae, Fisher, Christina Clare, and Jang, Seung Soon. Thu . "Dissipative Particle Dynamics Simulation Study of Poly(2-Oxazoline)-based Multicompartment Micelle Nanoreactor". United States. https://doi.org/10.1039/c5cp07100c. https://www.osti.gov/servlets/purl/1656967.
@article{osti_1656967,
title = {Dissipative Particle Dynamics Simulation Study of Poly(2-Oxazoline)-based Multicompartment Micelle Nanoreactor},
author = {Chun, Byeong Jae and Fisher, Christina Clare and Jang, Seung Soon},
abstractNote = {We investigate multicompartment micelles for nanoreactor applications, using the DPD simulation method to characterize the internal structure and the distribution of the reactant.},
doi = {10.1039/c5cp07100c},
url = {https://www.osti.gov/biblio/1656967}, journal = {Physical Chemistry Chemical Physics. PCCP (Print)},
issn = {1463-9076},
number = 8,
volume = 18,
place = {United States},
year = {2016},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
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Cited by: 6 works
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Works referenced in this record:

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    Works referencing / citing this record:

    Dissipative particle dynamics simulation of multicompartment micelle nanoreactor with channel for reactants
    journal, January 2018


    Molecular Modeling Approach to Determine the Flory-Huggins Interaction Parameter for Polymer Miscibility Analysis
    journal, April 2018