Establishing a discrete Ising model for zeolite deactivation: inspiration from the game of Go

Abstract

Herein, we have built a discrete Ising model for deactivation considering the cage connectivity, inspired by the game of Go. An analytical solution for a simplistic 1D model is found, and it shows good consistency with the experimental results over ZSM-12. Some anomalous pseudo-phase transition phenomena in the deactivation process and in the acid density are presented by modeling the deactivation of SAPO-34. This model may bring new methodologies to research on the zeolite deactivation mechanism.