The diffusion of molecules in complex intracellular environments can be strongly influenced by spatial heterogeneity and stochasticity. A key challenge when modelling such processes using stochastic random walk frameworks is that negative jump coefficients can arise when transport operators are discretized on heterogeneous domains. Often this is dealt with through homogenization approximations by replacing the heterogeneous medium with an effective homogeneous medium. In this work, we present a new class of homogenization approximations by considering a stochastic diffusive transport model on a one-dimensional domain containing an arbitrary number of layers with different jump rates. We derive closed form solutions for the kth moment of particle lifetime, carefully explaining how to deal with the internal interfaces between layers. These general tools allow us to derive simple formulae for the effective transport coefficients, leading to significant generalisations of previous homogenization approaches. Here, we find that different jump rates in the layers give rise to a net bias, leading to a non-zero advection, for the entire homogenized system. Example calculations show that our generalized approach can lead to very different outcomes than traditional approaches, thereby having the potential to significantly affect simulation studies that use homogenization approximations.
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28 January 2019
Research Article|
January 23 2019
New homogenization approaches for stochastic transport through heterogeneous media Available to Purchase
Elliot J. Carr
;
Elliot J. Carr
School of Mathematical Sciences, Queensland University of Technology
, Brisbane, Australia
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Matthew J. Simpson
Matthew J. Simpson
School of Mathematical Sciences, Queensland University of Technology
, Brisbane, Australia
Search for other works by this author on:
Elliot J. Carr
School of Mathematical Sciences, Queensland University of Technology
, Brisbane, Australia
Matthew J. Simpson
School of Mathematical Sciences, Queensland University of Technology
, Brisbane, Australia
J. Chem. Phys. 150, 044104 (2019)
Article history
Received:
October 16 2018
Accepted:
January 07 2019
Citation
Elliot J. Carr, Matthew J. Simpson; New homogenization approaches for stochastic transport through heterogeneous media. J. Chem. Phys. 28 January 2019; 150 (4): 044104. https://doi.org/10.1063/1.5067290
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