There are 1 repository under desorption topic.
This program calculates the temperature programmed desorption rate. Once initial coverage, heating rate, desorption energy are provided the program solves Polyani-Wigner equation differential equation using 4th order Runge Kutta method and prints the coverage and rate in a two columned file "Coverage.dat".
Series of simulations analyzing common chemical engineering, thermodynamic, and kinetic phenomena