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ATOMISTIC MOLECULAR DYNAMICS SIMULATION OF THE SELF-DIFFUSION ON n-ALKANE MELTS AND OF BINARY n-ALKANE BLENDS

机译：基于N-烷烃熔体和二元N-烷烃共混物的自扩散的原子分子动力学模拟

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来源
《AIChE annual meeting》|2003年||共7页
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作者
V.A. Harmandaris; V.G. Mavrantzas; D.N. Theodorou;
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正文语种
中图分类其他化学工业;
关键词
Diffusion; Free Volume Theory; Simulations; Blends; Rouse model;

机译：扩散;自由卷理论;模拟;混合;rouse模型;

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专利

1. Detailed molecular dynamics simulation of the self-diffusion of n-alkane and cis-1,4 polyisoprene oligomer melts [J] . V.A.Harmandaris, M.Doxastakis, V.G.Mavrantzes, The Journal of Chemical Physics . 2002,第1期

机译：正构烷烃和顺式1,4聚异戊二烯低聚物熔体自扩散的详细分子动力学模拟
2. Atomistic molecular dynamics simulation of diffusion in binary liquid n-alkane mixtures [J] . V.A.Harmandaris, D.Angelopoulou, V.G.Mavrantzas, The Journal of Chemical Physics . 2002,第17期

机译：二元液态正构烷烃混合物中扩散的原子分子动力学模拟
3. Atomistic molecular dynamics simulation of diffusion in binary liquid n-alkane mixtures [J] . V.A.Harmandaris, D.Angelopoulou, V.G.Mavrantzas, The Journal of Chemical Physics . 2002,第17期

机译：二元液态正构烷烃混合物中扩散的原子分子动力学模拟
4. ATOMISTIC MOLECULAR DYNAMICS SIMULATION OF THE SELF-DIFFUSION ON n-ALKANE MELTS AND OF BINARY n-ALKANE BLENDS [C] . V.A. Harmandaris, V.G. Mavrantzas, D.N. Theodorou AIChE annual meeting . 2003

机译：正构烷烃熔体和二元正构烷烃共混物自扩散的原子分子动力学模拟
5. Influence of polymer structure on the conformations of polyolefin melts and their blends: Molecular dynamics simulation study. [D] . Kareem, Mohammed Abdul. 2007

机译：聚合物结构对聚烯烃熔体及其共混物构象的影响：分子动力学模拟研究。
6. Interface Characteristics of Neat Melts and Binary Mixtures of Polyethylenes from Atomistic Molecular Dynamics Simulations [O] . Sanghun Lee, Curtis W. Frank, Do Y. Yoon 2020

机译：基于原子分子动力学模拟的聚乙烯的纯熔体和二元混合物的界面特征
7. Relationship between the α- and β-relaxation processes in amorphous polymers: Insight from atomistic molecular dynamics simulations of 1,4-polybutadiene melts and blends [O] . Grant D. Smith, Dmitry Bedrov 2007

机译：无定形聚合物中α-和β - 弛豫过程之间的关系：1,4-聚丁二烯熔融和共混物的原子分子动力学模拟的洞察

ATOMISTIC MOLECULAR DYNAMICS SIMULATION OF THE SELF-DIFFUSION ON n-ALKANE MELTS AND OF BINARY n-ALKANE BLENDS

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