Looking for software to simulate gas sensor mechanism

I'm looking for a graphical software to simulate a gas sensor mechanism. I thought "comsol multiphysics" could help me to determine the sensing mechanism of semiconductor gas sensor , but I didn't find any thing about this.
I would appreciate you If you recommend an appropriate application except "quantum espresso" to help me.


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If your budget can afford them, check MATLAB and Simulink. Or MATRIXx and SystemBuild.
I prefer to use a software that with prepared libraries or graphical interface.

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