A Feynman Path Integral-like Method for Deriving Reaction–Diffusion Equations

Abstract

This work is devoted to deriving a more accurate reaction–diffusion equation for an A/B binary system by summing over microscopic trajectories. By noting that an originally simple physical trajectory might be much more complicated when the reactions are incorporated, we introduce diffusion–reaction–diffusion (DRD) diagrams, similar to the Feynman diagram, to derive the equation. It is found that when there is no intermolecular interaction between A and B, the newly derived equation is reduced to the classical reaction–diffusion equation. However, when there is intermolecular interaction, the newly derived equation shows that there are coupling terms between the diffusion and the reaction, which will be manifested on the mesoscopic scale. The DRD diagram method can be also applied to derive a more accurate dynamical equation for the description of chemical reactions occurred in polymeric systems, such as polymerizations, since the diffusion and the reaction may couple more deeply than that of small molecules.

Feynman Diagrams beyond Physics: From Biology to Economy

“…Other stimulating employments of Feynman-type graphs come from the field of chemistry, where this kind of representation is used to derive a more accurate reaction-diffusion equation starting from a path integral formulation [77], or even for the so-called 2D-Raman-THz spectroscopy of liquid water [78].…”