How can I distinguish between the first stretching overtone N-H and O-H bands in NIR region as both of them has the adsorption bands in 1400–1500 nm?

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No title

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The procedure compute?

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fatal error

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i have some problem with chtMultiRegionSimpleFoam

--> FOAM FATAL ERROR: Maximum number of iterations exceeded From function Foam::scalar Foam::species::thermo::T(Foam::scalar, Foam::scalar, Foam::scalar, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar) const) const [with Thermo = Foam::hConstThermo >; Type = Foam::sensibleEnthalpy; Foam::scalar = double; Foam::species::thermo = Foam::species::thermo >, Foam::sensibleEnthalpy>] in file /home/ubuntu/OpenFOAM/OpenFOAM-4.1/src/thermophysicalModels/specie/lnInclude/thermoI.H at line 66. FOAM aborting #0 Foam::error::printStack(Foam::Ostream&) at ??:? #1 Foam::error::abort() at ??:? #2 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::calculate() at ??:? #3 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::correct() at ??:? #4 ? at ??:? #5 __libc_start_main in "/lib/x86_64-linux-gnu/libc.so.6" #6 ? at ??:?

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Jacques Lavau

I understand that your aim is in analytic chemistry, for molecules or conglomerate of crystals of high molecular weight ?

So no hope with this mean of investigation. You must turn elsewhere to have the missing informations.

I suggest you to correct your "adsorption" into "absorption".

Gyorgy Banhegyi

I agree, mid-IR will be more useful for your purposes. Once you have the basic frequency, you can find out the overtone. but the poblem is that in the case of H-bonded (associated) NH or OH bands these bands are rather broad, so there can be an overlap between the NH and OH ranges.