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Old   July 6, 1999, 07:10
Default chemical reaction
MYM. Rameez
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I am a new commer to CFD world.Nice to meet you.

Please let me know how to calculate the energy which produced by reaction of hydrogen and oxigion.
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Old   July 10, 1999, 07:50
Default Re: chemical reaction
Andrei Chernousov
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A common way to account for energy converted (not produced) from potential chemical form to another, say thermal form, due to reactions between species is to consider the thermal equation of state of the form in which chemical energy (enthalpy of formatiion) is included.

Hk(T) = Hk0(298) + Hk_(T); (1)

(H - molar enthalpy)

H(T) = Sum( Hk(T) * Xk ) (mixture) (2)

(Xk - mole fraction)

This data contains in databases and in reference books. See e.g. CHEMKIN package descriptions. So you must only calculate the progress of reaction(s) and composition of the mixture, and obtain temperature from the energy consevation condition and equations like (1-2).

Also you should read textbooks such as

1) _Numerical Simulation of Reactive Flows_ by E.S. Oran and J.P. Boris

2) _Combustion Theory_ by F.A. Williams etc.


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