Interaction between components in NC/PEG blended system and its microscopic structure

Xiao Fei Qi; Li Gang Wang; Xin Guo; Ning Yan; Qi Long Yan; Jun Ping Zhang

doi:10.3969/j.issn.1006-9941.2014.03.002

Interaction between components in NC/PEG blended system and its microscopic structure

Xiao Fei Qi, Li Gang Wang, Xin Guo, Ning Yan, Qi Long Yan, Jun Ping Zhang

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

Abstract

The blend of nitrocellulose (NC) and polyethlene glycol (PEG) was prepared by solution blending method. The interaction between the two components PEG and NC, and the microscopic structure of the blend were characterized via infrared spectroscopy and polarizing microscope. Results show that there is a strong interaction between NC and PEG, and PEG fragmentary crystallites disperse in the blended system. The mechanism of the interaction between NC and PEG was studied by molecular dynamics simulation, and the microscopic structure and density distribution were obtained by the mesoscopic dynamic simulation. The above two simulations have a good accordance with the experimental results. Molecular interaction and microstructure of NC/PEG system can be characterized by molecular dynamics and mesoscopic dynamic simulation.

Original language	English
Pages (from-to)	281-285
Number of pages	5
Journal	Hanneng Cailiao/Chinese Journal of Energetic Materials
Volume	22
Issue number	3
DOIs	https://doi.org/10.3969/j.issn.1006-9941.2014.03.002
State	Published - Jun 2014
Externally published	Yes

Keywords

Mesoscopic dynamic simulation
Molecular dynamics simulation
Nitrocellulose (NC)
Physical chemistry
Polyethlene glycol (PEG)

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10.3969/j.issn.1006-9941.2014.03.002

Cite this

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title = "Interaction between components in NC/PEG blended system and its microscopic structure",

abstract = "The blend of nitrocellulose (NC) and polyethlene glycol (PEG) was prepared by solution blending method. The interaction between the two components PEG and NC, and the microscopic structure of the blend were characterized via infrared spectroscopy and polarizing microscope. Results show that there is a strong interaction between NC and PEG, and PEG fragmentary crystallites disperse in the blended system. The mechanism of the interaction between NC and PEG was studied by molecular dynamics simulation, and the microscopic structure and density distribution were obtained by the mesoscopic dynamic simulation. The above two simulations have a good accordance with the experimental results. Molecular interaction and microstructure of NC/PEG system can be characterized by molecular dynamics and mesoscopic dynamic simulation.",

keywords = "Mesoscopic dynamic simulation, Molecular dynamics simulation, Nitrocellulose (NC), Physical chemistry, Polyethlene glycol (PEG)",

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T1 - Interaction between components in NC/PEG blended system and its microscopic structure

AU - Qi, Xiao Fei

AU - Wang, Li Gang

AU - Guo, Xin

AU - Yan, Ning

AU - Yan, Qi Long

AU - Zhang, Jun Ping

PY - 2014/6

Y1 - 2014/6

N2 - The blend of nitrocellulose (NC) and polyethlene glycol (PEG) was prepared by solution blending method. The interaction between the two components PEG and NC, and the microscopic structure of the blend were characterized via infrared spectroscopy and polarizing microscope. Results show that there is a strong interaction between NC and PEG, and PEG fragmentary crystallites disperse in the blended system. The mechanism of the interaction between NC and PEG was studied by molecular dynamics simulation, and the microscopic structure and density distribution were obtained by the mesoscopic dynamic simulation. The above two simulations have a good accordance with the experimental results. Molecular interaction and microstructure of NC/PEG system can be characterized by molecular dynamics and mesoscopic dynamic simulation.

AB - The blend of nitrocellulose (NC) and polyethlene glycol (PEG) was prepared by solution blending method. The interaction between the two components PEG and NC, and the microscopic structure of the blend were characterized via infrared spectroscopy and polarizing microscope. Results show that there is a strong interaction between NC and PEG, and PEG fragmentary crystallites disperse in the blended system. The mechanism of the interaction between NC and PEG was studied by molecular dynamics simulation, and the microscopic structure and density distribution were obtained by the mesoscopic dynamic simulation. The above two simulations have a good accordance with the experimental results. Molecular interaction and microstructure of NC/PEG system can be characterized by molecular dynamics and mesoscopic dynamic simulation.

KW - Mesoscopic dynamic simulation

KW - Molecular dynamics simulation

KW - Nitrocellulose (NC)

KW - Physical chemistry

KW - Polyethlene glycol (PEG)

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M3 - 文章

AN - SCOPUS:84904762610

SN - 1006-9941

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JO - Hanneng Cailiao/Chinese Journal of Energetic Materials

JF - Hanneng Cailiao/Chinese Journal of Energetic Materials

IS - 3

ER -

Interaction between components in NC/PEG blended system and its microscopic structure

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Keywords

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