{"title":"The 3D Narrow Capture Problem for Traps with Semipermeable Interfaces","authors":"Paul C. Bressloff","doi":"10.1137/22m1535462","DOIUrl":null,"url":null,"abstract":"In this paper we analyze the narrow capture problem for a single Brownian particle diffusing in a three-dimensional (3D) bounded domain containing a set of small, spherical traps. The boundary surface of each trap is taken to be a semipermeable membrane. That is, the continuous flux across the interface is proportional to an associated jump discontinuity in the probability density. The constant of proportionality is identified with the permeability . In addition, we allow for discontinuities in the diffusivity and chemical potential across each interface; the latter introduces a directional bias. We also assume that the particle can be absorbed (captured) within the interior of each trap at some Poisson rate . In the small-trap limit, we use matched asymptotics and Green’s function methods to calculate the splitting probabilities and unconditional mean first passage time (MFPT) to be absorbed by one of the traps. However, the details of the analysis depend on how various parameters scale with the characteristic trap radius . Under the scalings and , we show that the semipermeable membrane reduces the effective capacitance of each spherical trap compared to the standard example of totally absorbing traps. The latter case is recovered in the dual limits and , with equal to the intrinsic capacitance of a sphere, namely, the radius. We also illustrate how the asymptotic expansions are modified when (slow absorption) or (low permeability). Finally, we consider the unidirectional limit in which each interface only allows particles to flow into a trap. The traps then act as partially absorbing surfaces with a constant reaction rate . Combining asymptotic analysis with the encounter-based formulation of partially reactive surfaces, we show how a generalized surface absorption mechanism (non-Markovian) can be analyzed in terms of the capacitances . We thus establish that a wide range of narrow capture problems can be characterized in terms of the effective capacitances of the traps.","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":null,"pages":null},"PeriodicalIF":16.4000,"publicationDate":"2023-09-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"3","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Accounts of Chemical Research","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1137/22m1535462","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 3
Abstract
In this paper we analyze the narrow capture problem for a single Brownian particle diffusing in a three-dimensional (3D) bounded domain containing a set of small, spherical traps. The boundary surface of each trap is taken to be a semipermeable membrane. That is, the continuous flux across the interface is proportional to an associated jump discontinuity in the probability density. The constant of proportionality is identified with the permeability . In addition, we allow for discontinuities in the diffusivity and chemical potential across each interface; the latter introduces a directional bias. We also assume that the particle can be absorbed (captured) within the interior of each trap at some Poisson rate . In the small-trap limit, we use matched asymptotics and Green’s function methods to calculate the splitting probabilities and unconditional mean first passage time (MFPT) to be absorbed by one of the traps. However, the details of the analysis depend on how various parameters scale with the characteristic trap radius . Under the scalings and , we show that the semipermeable membrane reduces the effective capacitance of each spherical trap compared to the standard example of totally absorbing traps. The latter case is recovered in the dual limits and , with equal to the intrinsic capacitance of a sphere, namely, the radius. We also illustrate how the asymptotic expansions are modified when (slow absorption) or (low permeability). Finally, we consider the unidirectional limit in which each interface only allows particles to flow into a trap. The traps then act as partially absorbing surfaces with a constant reaction rate . Combining asymptotic analysis with the encounter-based formulation of partially reactive surfaces, we show how a generalized surface absorption mechanism (non-Markovian) can be analyzed in terms of the capacitances . We thus establish that a wide range of narrow capture problems can be characterized in terms of the effective capacitances of the traps.
期刊介绍:
Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance.
Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.