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simulation of various concentration of material

Posted: Mon Aug 15, 2016 12:13 pm
by kasra
Dear all,
I just started a research work in EPR and I want to simulate EPR spectra of a free radical such as nitroxide. I have some question in this regard:
1. If we have 2 sample which are similar in material but different in amount or concentration, will their EPR spectra be different?
2.Is the simulation of various amounts or concentrations of one material possible in easyspin? if yes how can I do this?
3.If it is not possible in easyspin, do you know any other simulation code to do this?

Please guide me...
Thank you.
Kasra

Re: simulation of various concentration of material

Posted: Wed Aug 17, 2016 2:35 am
by Yahor Savich
1. Qualitatively, absorption of microwave energy is proportional to number of spins. You can calculate 2nd integral of each spectra and find ratio. That will give you the ratio of concentrations.

2.Sure, just simulate whatever you want (pepper, chili, etc.) and plot it with different coefficients.