Entropy Production in Chemically Reacting Systems

Parallel studies for chemically reacting systems

Parallel computing code can be applied to solve chemically reacting systems. In a well stirred chemical system, the number of molecules for each species can be solved by implicit tau method, and the histogram of the method is used to compare with the exact simulation called SSA. In this report, the parallel code will be implemented in both SSA and implicit tau, with the discussion that how rand...

Approximate Stochastic Models for Chemically Reacting Systems

In the stochastic formulation of chemical reactions, the time evolution of the first M order statistical moments for the number of molecules of the different species involved is generally not closed, in the sense that they depend on moments of order higher than M. For analysis purposes, the time evolution of the first M order moments is often made to be closed by approximating the higher order ...

Approximate accelerated stochastic simulation of chemically reacting systems

The stochastic simulation algorithm ~SSA! is an essentially exact procedure for numerically simulating the time evolution of a well-stirred chemically reacting system. Despite recent major improvements in the efficiency of the SSA, its drawback remains the great amount of computer time that is often required to simulate a desired amount of system time. Presented here is the ‘‘t-leap’’ method, a...

Implicit Methods for Computing Chemically Reacting Flow

On the Theory of Chemically Reacting Gas

The method to determine the molecular velocity distribution in steady reaction in homogeneous gas phase with negligible reaction heat is formulated, and especially the case where one of the reacting molecules is very light is studied in detail. In this case the perturbation of the distribution function by the chemical reaction becomes most remarkable, and the expansion by the Sonine's polynomia...