The polymer poly(N-isopropylacrylamide) (PNIPAM) is studied using a novel combination of multiscale modeling methodologies. We develop an iterative Boltzmann inversion potential of concentrated PNIPAM solutions and combine it with lattice Boltzmann as a Navier–Stokes equation solver for the solvent. We study in detail the influence of the methodology on statics and dynamics of the system. The combination is successful and significantly simpler and faster than other mapping techniques for polymer solution while keeping the correct hydrodynamics. The model can semiquantitatively describe the correct phase behavior and polymer dynamics.

中文翻译：

---

迭代玻尔兹曼反演及其与格子玻尔兹曼流体动力学相结合的粗颗粒PNIPAM模型的开发与应用

使用多尺度建模方法的新颖组合研究了聚合物聚（N-异丙基丙烯酰胺）（PNIPAM）。我们开发了浓PNIPAM解决方案的迭代Boltzmann逆势，并将其与晶格Boltzmann结合起来用作溶剂的Navier–Stokes方程求解器。我们详细研究了方法论对系统静态和动态的影响。这种组合是成功的，并且比其他用于聚合物溶液的绘图技术显着更简单，更快，同时保持了正确的流体动力学。该模型可以半定量描述正确的相行为和聚合物动力学。