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Legendre integrators, post-processing and quasiequilibrium
Authors:Alexander N Gorban  Pavel A Gorban  Iliya V Karlin  
Institution:a Department of Materials, Institute of Polymer Physics, Swiss Federal Institute of Technology, ETH-Zentrum, Sonneggstrasse 3, ML J 27, CH-8092, Zurich, Switzerland;b Krasnoyarsk State Technical University, Institute of Computational Modeling RAS, Krasnoyarsk 660036, Russia
Abstract:A toolbox for the development and reduction of the dynamical models of nonequilibrium systems is presented. The main components of this toolbox are: Legendre integrators, dynamical post-processing, and the thermodynamic projector. The thermodynamic projector is the tool to transform almost any anzatz to a thermodynamically consistent model. The post-processing is the cheapest way to improve the solution obtained by the Legendre integrators. Legendre integrators give the opportunity to solve linear equations instead of nonlinear ones for quasiequilibrium (“maximum entropy”, MaxEnt) approximations. The essentially new element of this toolbox, the method of thermodynamic projector, is demonstrated on application to the FENE-P model of polymer kinetic theory. The multi-peak model of polymer dynamics is developed.
Keywords:Nonequilibrium systems  Mathematical modeling  Entropy  Thermodynamic projector  Post-processing  Fokker–  Planck equation
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