Molecular Simulation on the Dynamics of Ideal State in Dilute Polymer Solutions

机译：稀聚合物溶液中理想状态动力学的分子模拟

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We study the dynamic behavior of ideal state in dilute polymer solutions by dissipative particle dynamics simulation.At fixed polymer-polymer and solvent-solvent interaction strengths,the modeled polymer solution undergoes coil to globule transition as increasing polymer-solvent interaction strength.We find that the fluctuation of gyration radius is large for short chains,due to the strong inter-chain interaction.It becomes unreasonable to identify the transition state by the traditional method of using the gyration radius.Results show that solvent coverage density per monomer could well quantify the transition point.Our work thus provides a new way to identify the ideal state of polymer solution in relevant applications.

机译：我们通过耗散粒子动力学模拟研究了理想状态在稀聚合物溶液中的动力学行为。在固定的聚合物-聚合物和溶剂-溶剂相互作用强度下，模拟的聚合物溶液随着聚合物-溶剂相互作用强度的增加而经历了从盘绕到球状的转变。由于短链之间的强相互作用，回转半径的波动大。通过传统的回转半径方法来识别过渡态变得不合理。结果表明，每个单体的溶剂覆盖密度可以很好地量化因此，我们的工作提供了一种在相关应用中识别聚合物溶液理想状态的新方法。

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《The 12th International Symposium on Polymer Physics(PP’2016)(2016年第十二届国际高分子物理学术讨论会）论文集》|2016年|1|共1页
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Yicen Liu; Xiaofei Xu;
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Center for Soft Condensed Matter Physics and Interdisciplinary Research, Soochow University, Suzhou 215006, China;

College of Physics, Optoelectronics and Energy, Soochow University, Suzhou,215006, China;

Center for Soft Condensed Matter Physics and Interdisciplinary Research, Soochow University, Suzhou 215006, China;

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中图分类数理科学和化学;
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Molecular Simulation on the Dynamics of Ideal State in Dilute Polymer Solutions

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