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Simulating reaction-diffusion with state-dependent diffusion coefficients

机译:模拟与状态相关的扩散系数的反应扩散

摘要

The present models and simulation algorithms of intracellular kinetics are usually based on the premise that diffusion is so fast that the concentrations of all the involved species are homogeneous in space. However, recents experimental measurements of intracellular diffusion constants indicate that the assumption of a homogeneous well-stirred cytosol is not necessarily valid even for small prokaryotic cells. In this work we first present a mathematical description of the diffusion induced by concentration gradient. In our model the diffusion coefficients and mechanical quantities as frictional forces are dependent on the local values of solutes concentration. We then present an algorithm implementing our model and simulating a reaction-diffusion system. The algorithm is an efficient modification of the well known Gillespie algorithm, adapted for systems that are both reactive and diffusive.
机译:当前的细胞内动力学模型和模拟算法通常基于这样的前提,即扩散是如此之快,以至于所有涉及物种的浓度在空间上都是均匀的。然而,最近对细胞内扩散常数的实验测量表明,即使对于小的原核细胞,均一的充分搅拌的胞质溶胶的假设也不一定有效。在这项工作中,我们首先对浓度梯度引起的扩散进行数学描述。在我们的模型中,作为摩擦力的扩散系数和机械量取决于溶质浓度的局部值。然后,我们提出一种实现我们的模型并模拟反应扩散系统的算法。该算法是众所周知的Gillespie算法的有效修改,适用于反应性和扩散性系统。

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