Hello everyone.
I am simulating a case of coal gasification. For that i am employing species transport method. I have written a chemkin mechanism file for the coal reaction. The problem that i am facing is that though my reactions are working and i get appreciable results, but i haven't given input for the coal specification i.e. the ultimate and proximate analysis data. In the chemkin file i only mentioned the elements C,H,N,S and not the concentration of C,H,N,S.
Can someone help me with this? I am not sure if it is using the same coal that i want to? How can i add ultimate and proximate analysis data in the pre processing?
Mechanism studies necessitate pure compounds and coal is a naturally occurring material that the changes or the processes will be very much affected by other components.
I have not used CHEMKIN in quite a while. However I do not think CHEMKIN can do anything with the proximate analysis. However you should be able to enter the element values of your ultimate analysis.
You must appreciate that Chemkin is a gas phase analysis tool - equilibrium, kinetics, flame propagation. If coal is intended object, it is a solid. Depending on the heat flux back to the solid and the environment - whether it is oxidative or otherwise, the gas phase has various chemical compounds - in fact very large number of them measured in experiments. From these, you can extract the initial composition which can be used for further analysis. It is important to define what you are looking for from coal related work. More cannot be said because you have not defined your problem in completeness.
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