%0 Book Section %1 statphys23_0370 %A Kamimura, A. %A Ito, N. %A Herrmann, H.J. %B Abstract Book of the XXIII IUPAP International Conference on Statistical Physics %C Genova, Italy %D 2007 %E Pietronero, Luciano %E Loreto, Vittorio %E Zapperi, Stefano %K dynamics open reacting simulations statphys23 systems topic-3 %T Simulation of reacting systems driven from equilibrium states %U http://st23.statphys23.org/webservices/abstract/preview_pop.php?ID_PAPER=370 %X Chemical reaction shows a great variety of nonequilibrium behavior. As there exists energy production and absorption, it can be essentially nonequilibrium from microscopic point of view. Especially, open systems where energy and matter transfer through boundaries of the systems can be constrained in far-from-equilibrium states. As a first step, we introduce a simple mean-field model. This model includes energy resources explicitly and analyze its behavior, especially how reaction occurs due to the resources. This model exhibits the Arrhenius reaction rate which is commonly valid near equilibrium state, further this model exhibits non-Arrhenius reaction rate as inflow rate of the resources increases. These results suggest that chemical reaction may easily destroy equilibrium from microscopic scale. As a next step, hard sphere particle simulation is studied to include spherical correlations. The system assumes open that particles are moving in from outside and also moving out. Reaction dynamics are based on particle’s collisions and its velocities, and heat productions can be introduced due to reactions. It is commonly known that, especially in low dimensions, fluctuations might affects reaction kinetics such as slow decay of reactants compared with mean-field rate equations. We will discuss reaction dynamics in connection with the fluctuations.

@incollection{statphys23_0370, abstract = {Chemical reaction shows a great variety of nonequilibrium behavior. As there exists energy production and absorption, it can be essentially nonequilibrium from microscopic point of view. Especially, open systems where energy and matter transfer through boundaries of the systems can be constrained in far-from-equilibrium states. As a first step, we introduce a simple mean-field model. This model includes energy resources explicitly and analyze its behavior, especially how reaction occurs due to the resources. This model exhibits the Arrhenius reaction rate which is commonly valid near equilibrium state, further this model exhibits non-Arrhenius reaction rate as inflow rate of the resources increases. These results suggest that chemical reaction may easily destroy equilibrium from microscopic scale. As a next step, hard sphere particle simulation is studied to include spherical correlations. The system assumes open that particles are moving in from outside and also moving out. Reaction dynamics are based on particle’s collisions and its velocities, and heat productions can be introduced due to reactions. It is commonly known that, especially in low dimensions, fluctuations might affects reaction kinetics such as slow decay of reactants compared with mean-field rate equations. We will discuss reaction dynamics in connection with the fluctuations.}, added-at = {2007-06-20T10:16:09.000+0200}, address = {Genova, Italy}, author = {Kamimura, A. and Ito, N. and Herrmann, H.J.}, biburl = {https://www.bibsonomy.org/bibtex/291dc9b5cf1712526b1fc63fa58b0da8e/statphys23}, booktitle = {Abstract Book of the XXIII IUPAP International Conference on Statistical Physics}, editor = {Pietronero, Luciano and Loreto, Vittorio and Zapperi, Stefano}, interhash = {9fa58fbb2c584a2301a19b9293c2ed48}, intrahash = {91dc9b5cf1712526b1fc63fa58b0da8e}, keywords = {dynamics open reacting simulations statphys23 systems topic-3}, month = {9-13 July}, timestamp = {2007-06-20T10:16:18.000+0200}, title = {Simulation of reacting systems driven from equilibrium states}, url = {http://st23.statphys23.org/webservices/abstract/preview_pop.php?ID_PAPER=370}, year = 2007 }