Ellero Marco, Español Pep, Flekkøy Eirik G
Institut für Theoretische Physik, Technische Universität Berlin, D-10623 Berlin, Germany.
Phys Rev E Stat Nonlin Soft Matter Phys. 2003 Oct;68(4 Pt 1):041504. doi: 10.1103/PhysRevE.68.041504. Epub 2003 Oct 23.
A recently proposed viscoelastic dissipative particle dynamics model is put into a thermodynamically consistent form that allows for nonisothermal situations. This model consists of fluid particles that have an additional elastic vector characterizing the state of elongation of the molecules within the fluid particle. Very simple physical mechanisms are proposed for the dynamics of the elastic vector that, with the help of the GENERIC formalism, allows us to derive the full set of dynamic equations for the model. The model is further generalized to include polymer diffusion. The connection of the present model with the CONNFFESSIT approach and the Brownian configuration field approach is discussed.
一个最近提出的粘弹性耗散粒子动力学模型被转化为一种热力学一致的形式,该形式适用于非等温情况。该模型由流体粒子组成,这些粒子具有一个额外的弹性矢量,用于表征流体粒子内部分子的伸长状态。针对弹性矢量的动力学提出了非常简单的物理机制,借助GENERIC形式体系,这使我们能够推导出该模型的全套动力学方程。该模型进一步推广以包括聚合物扩散。讨论了本模型与CONNFFESSIT方法和布朗构型场方法的联系。