05-12-2018, 08:39 AM

I am trying to figure out the reaction rate of the following reaction:

2⋅H2+O2→2⋅H2O

So basically hydrogen with oxygen to produce water and I will be trying to model this reaction. I will assume that all the parts are in the gaseous state, for simplicity's sake.

I am not sure how to go about it since the reaction requires heat (energy) to get started and is overall an exothermic reaction. Not only that, there are many small steps that need to be taken (chemistry) as can be seen from NASA reports here and here (PDFs!).

So the rate of reaction can be written generically as ν=k [A]α [C]c ... where k is the rate constant i.e. the rate is proportional to the concentrations of the reactants each raised to some power (B with the brackets made everything bold so I just used C).

The overall reaction I have is a bimolecular reaction, i.e. two reactants for one product, assuming perfect conditions. A is hydrogen, C is oxygen, and it is therefore a second order reaction. I am looking it as a CSTR where water and heat are produced.

One can use the Arrhenius equation

k=A(TT0)n⋅e−Ea(RT)

Other forms exist, so they may be easier to use but I am not sure where to get the data for Ea, A, or n.

I do not have experimental data, so I am not sure how to go about this. I have searched online, but am at a loss. Any ideas where to go from here?

2⋅H2+O2→2⋅H2O

So basically hydrogen with oxygen to produce water and I will be trying to model this reaction. I will assume that all the parts are in the gaseous state, for simplicity's sake.

I am not sure how to go about it since the reaction requires heat (energy) to get started and is overall an exothermic reaction. Not only that, there are many small steps that need to be taken (chemistry) as can be seen from NASA reports here and here (PDFs!).

So the rate of reaction can be written generically as ν=k [A]α [C]c ... where k is the rate constant i.e. the rate is proportional to the concentrations of the reactants each raised to some power (B with the brackets made everything bold so I just used C).

The overall reaction I have is a bimolecular reaction, i.e. two reactants for one product, assuming perfect conditions. A is hydrogen, C is oxygen, and it is therefore a second order reaction. I am looking it as a CSTR where water and heat are produced.

One can use the Arrhenius equation

k=A(TT0)n⋅e−Ea(RT)

Other forms exist, so they may be easier to use but I am not sure where to get the data for Ea, A, or n.

I do not have experimental data, so I am not sure how to go about this. I have searched online, but am at a loss. Any ideas where to go from here?