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One-pot strategy for the preparation of nanoparticles grafted with bimodal polymers: An in-silico insight
We introduce a novel one-pot strategy that integrates “grafting-to” and “grafting-from” methods to create polymer-grafted bimodal NPs.
Jinyuan Mao, Jiajia Zhou*, Hong Liu*
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One-pot strategy for the preparation of nanoparticles grafted with bimodal polymers: An in-silico insight
Entropy-Induced Localization and Sliding Dynamics of Rings on Polyrotaxane
The entropy effect determines the position of the rings.
Yan Wang, Hui Lu, An-Chang Shi*, Jiajia Zhou*, Guojie Zhang*, Hong Liu*
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Entropy-Induced Localization and Sliding Dynamics of Rings on Polyrotaxane
Olympic gels formed through catenation of dsDNA rings regulated by topoisomerase II: A coarse-grained model
An implicit DNA topoisomerase reaction model was implemented.
Zhongyan Zhang, Wenbo Zhao, Zhiyuan Cheng, Guojie Zhang*, Hong Liu*
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Olympic gels formed through catenation of dsDNA rings regulated by topoisomerase II: A coarse-grained model
Morphology evolution and dynamics of sliding nanodroplets under external forces: A molecular dynamics study
We find that when droplet motion reaches a steady state, the steady velocity shows an unusual relationship with the external force such that the profile has two nearly linear regimes.
Wenbin Liu, Jianguo Zhang*, Hong Liu*
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Morphology evolution and dynamics of sliding nanodroplets under external forces: A molecular dynamics study
Network structure and properties of crosslinked bio-based epoxy resin composite: An in-silico multiscale strategy with dynamic curing reaction process
A multiscale simulation strategy was proposed to study the curing reaction on the network formation and corresponding mechanical properties of a bio-based epoxy resin composite.
Yan Wang, Han-Lin Gan, Chi-Xin Liang, Zhong-Yan Zhang, Mo Xie, Ji-Yuan Xing, Yao-Hong Xue, Hong Liu*
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Network structure and properties of crosslinked bio-based epoxy resin composite: An in-silico multiscale strategy with dynamic curing reaction process
Self-limiting directional nanoparticle bonding governed by reaction stoichiometry
We show that for nanoparticles capped with complementary reactive polymers, a stoichiometric reaction leads to reorganization of the uniform ligand shell and self-limiting nanoparticle bonding, whereas electrostatic repulsion between colloidal bonds governs CM symmetry.
ChengLin Yi, Hong Liu, ShaoYi Zhang, YiQun Yang, Yan Zhang, Zhong-Yuan Lu, Eugenia Kumacheva*, Zhihong Nie*
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Self-limiting directional nanoparticle bonding governed by reaction stoichiometry
Inverse Design of Molecular Weight Distribution in Controlled Polymerization via a One-Pot Reaction Strategy
We propose a novel one-pot reaction strategy that can facilitate the inverse design of the shape, breadth, and skew of the MWD in a controlled polymerization.
Hong Liu, Yao-Hong Xue, You-Liang Zhu, Feng-Long Gu, Zhong-Yuan Lu*
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Inverse Design of Molecular Weight Distribution in Controlled Polymerization via a One-Pot Reaction Strategy
In-Depth Analysis of Supramolecular Interfacial Polymerization via a Computer Simulation Strategy
The supramolecular interfacial polymerization induced at the interface of water and oil phases is scrutinized with a dissipative particle dynamics simulation method coupled with a stochastic reaction model.
Ji-Yuan Xing, Yao-Hong Xue, Zhong-Yuan Lu*, Hong Liu*
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In-Depth Analysis of Supramolecular Interfacial Polymerization via a Computer Simulation Strategy
Insight into the Polymerization-Induced Self-Assembly via a Realistic Computer Simulation Strategy
The dynamic process of polymerization-induced self-assembly (PISA) is simulated by the dissipative particle dynamics method coupled with the stochastic reaction model.
Yu-Dou Yan, Yao-Hong Xue, Huan-Yu Zhao, Hong Liu*, Zhong-Yuan Lu, Feng-Long Gu
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Insight into the Polymerization-Induced Self-Assembly via a Realistic Computer Simulation Strategy
Distribution of the Number of Polymer Chains Grafted on Nanoparticles Fabricated by Grafting-to and Grafting-from Procedures
Polymer number distribution (PND) for polymer grafted nanoparticles (NPs) fabricated via the grafting-to technique can be described, without any fitting parameters, as a function of the conversion of polymer chains
Hong Liu,, Huan-Yu Zhao, Florian Müller-Plathe, Hu-Jun Qian, Zhao-Yan Sun, Zhong-Yuan Lu*
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Distribution of the Number of Polymer Chains Grafted on Nanoparticles Fabricated by Grafting-to and Grafting-from Procedures