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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".

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Temperature Programmed Desorption (TPD) rate calculation

This application calculates the temperature programmed desorption rate. The program is written in C++ and Qt. Once initial coverage, heating rate, desorption energy, temperature range etc are provided the program solves Polyani-Wigner differential equation using Runge Kutta method and prints the coverage and rate in a three column file "Coverage.dat" (1st column=temperature, 2nd column=coverage, 3rd column=rate). Currently the application works for only Linux, later it will be updated for MAC and windows. Download the Application file. Change the permissions (in bash you may issue: chmod +x TPD.run)

(Written by : Satadeep Bhattacharjee, IKST, Bangalore, email: satadeep.bhattacharjee@ikst.res.in )

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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".

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