Department of Mathematics and Statistics, Boston University, Boston, Massachusetts 02215, USA.
J Chem Phys. 2013 Aug 7;139(5):054101. doi: 10.1063/1.4816377.
The reaction-diffusion master equation (RDME) is a lattice stochastic reaction-diffusion model that has been used to study spatially distributed cellular processes. The RDME is often interpreted as an approximation to spatially continuous models in which molecules move by Brownian motion and react by one of several mechanisms when sufficiently close. In the limit that the lattice spacing approaches zero, in two or more dimensions, the RDME has been shown to lose bimolecular reactions. The RDME is therefore not a convergent approximation to any spatially continuous model that incorporates bimolecular reactions. In this work we derive a new convergent RDME (CRDME) by finite volume discretization of a spatially continuous stochastic reaction-diffusion model popularized by Doi. We demonstrate the numerical convergence of reaction time statistics associated with the CRDME. For sufficiently large lattice spacings or slow bimolecular reaction rates, we also show that the reaction time statistics of the CRDME may be approximated by those from the RDME. The original RDME may therefore be interpreted as an approximation to the CRDME in several asymptotic limits.
反应-扩散主方程 (RDME) 是一种晶格随机反应-扩散模型,用于研究空间分布的细胞过程。RDME 通常被解释为对空间连续模型的一种近似,其中分子通过布朗运动移动,并在足够接近时通过几种机制之一反应。在晶格间距趋于零的极限情况下,在二维或更多维度下,RDME 已经被证明失去了双分子反应。因此,RDME 不是任何包含双分子反应的空间连续模型的收敛近似。在这项工作中,我们通过对多伊推广的空间连续随机反应-扩散模型进行有限体积离散化,推导出一个新的收敛 RDME (CRDME)。我们演示了与 CRDME 相关的反应时间统计的数值收敛性。对于足够大的晶格间距或缓慢的双分子反应速率,我们还表明 CRDME 的反应时间统计可以通过 RDME 的反应时间统计来近似。因此,原始 RDME 可以在几个渐近极限下解释为 CRDME 的近似。