A Modified Inhomogeneous Stochastic Simulation Algorithm to Model Reactive Boundary Conditions

摘要

The present study proposes a stochastic simulation scheme to model reactive boundaries through a position jump process which can be readily implemented into the Inhomogeneous Stochastic Simulation Algorithm by modifying the propensity of the diffusive jump over the reactive boundary. As compared to the literature, the present approach does not require any correction factors for the propensity. Also, the current expression relaxes the constraint on the compartment size allowing the problem to be solved with a coarser grid and therefore saves considerable computational cost. The modified algorithm is then applied to simulate three reaction-diffusion systems with reactive boundaries.