The physics of boundary conditions in reaction-diffusion problems

被引:8
|
作者
Piazza, Francesco [1 ,2 ]
机构
[1] Univ Firenze, Dipartimento Fis & Astron, Via G Sansone 1, I-50019 Sesto Fiorentino, FI, Italy
[2] INFN, Sez Firenze, Via G Sansone 1, I-50019 Sesto Fiorentino, FI, Italy
来源
JOURNAL OF CHEMICAL PHYSICS | 2022年 / 157卷 / 23期
关键词
LIGAND-BINDING;
D O I
10.1063/5.0128276
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The use of fully or partially absorbing boundary conditions for diffusion-based problems has become paradigmatic in physical chemistry and biochemistry to describe reactions occurring in solutions or in living media. However, as chemical states may indeed disappear, particles cannot, unless such degradation happens physically and should, thus, be accounted for explicitly. Here, we introduce a simple, yet general idea that allows one to derive the appropriate boundary conditions self-consistently from the chemical reaction scheme and the geometry of the physical reaction boundaries. As an illustration, we consider two paradigmatic examples, where the known results are recovered by taking specific physical limits. More generally, we demonstrate that our mathematical analysis delivers physical insight that cannot be accessed through standard treatments.
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页数:5
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