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Models for Multi-Specie Chemical Reactions Using Polynomial Stochastic Hybrid Systems

机译:使用多项式随机混合系统进行多种化学反应的模型

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摘要

A procedure for constructing approximate stochastic models for chemical reactions is presented. This is done by representing the population of various species involved in a chemical reaction as the continuous state of a polynomial Stochastic Hybrid System (pSHS). An important property of pSHSs is that the dynamics of all the statistical moments of its continuous states, evolves according to a infinite-dimensional linear ordinary differential equation (ODE). Under appropriate conditions, this infinite-dimensional ODE can be accurately approximated by a finite-dimensional nonlinear ODE, the state of which typically contains the moments of interest. In this paper, for a very general class of chemical reactions, we provide existence and uniqueness conditions for these finite-dimensional nonlinear ODEs. Furthermore, explicit formulas to construct them are also provided. To illustrate the applicability of our results, we construct an approximate stochastic model for a decaying and dimerizing chemical reaction set. Moment estimates obtained from the finite-dimensional nonlinear ODE are compared with estimates obtained from a large number of Monte Carlo simulations.
机译:提出了一种用于构建化学反应的近似随机模型的方法。这是通过代表化学反应中涉及的各种物种作为多项式随机杂交系统(PSH)的连续状态来完成的。 PSHSS的一个重要属性是,其连续状态的所有统计时刻的动态根据无限尺寸线性常微分方程(ODE)演变。在适当的条件下,通过有限维非线性颂歌可以精确地近似地逼近,该无限尺寸ode通常包含感兴趣的时刻。本文为一般一般的化学反应,我们为这些有限维非线性杂散提供了存在和唯一性条件。此外,还提供了构建它们的明确公式。为了说明我们的结果的适用性,我们构建了一种近似随机模型,用于腐烂和二聚化学反应集。将从有限维非线性ode获得的片刻估计与从大量蒙特卡罗模拟获得的估计进行比较。

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