best therm.dat and mech.dat dile for C3H8 -H2 blending combustion

bmo2024 · May 30, 2025, 14:11

Hi everyone! I am doing a CFD simulation of a boiler that uses hydrogen and C3H8 as fuel.

But I am having difficulty finding therm.dat file and mech.dat file for simulation in Converge. Can someone suggest some credible sources to obtain such files?

Thanks for your response.

bolun_converge · August 27, 2025, 11:17

Hi,

As for the therm.dat, you should be able to get the default one from CONVERGE itself for H2 when you choose Materials -> Gas simulation. And I assume your C3H8 is a liquid to begin with, so you will turn on Materials -> Liquid simulation as well, and in the dialog box of Liquid simulation, you can click on Predefined liquids and find C3H8 there.

As for the mechanism, I recommend you load one of CONVERGE examples for internal combustion engines, and pick those that have H2 as the fuel, then export the mech.dat for your own case. You can also use C3 mechanisms from CONVERGE. In the CONVERGE studio, at the bottom there is a row of buttons, choose the one next to the CONVERGE icon, which is the Chemistry tool. On the right-side panel, you can pick C3 Mechanism. Then in the popped-up dialog box, choose H2 and C3H8 in the column of Fuel species, and click extract, then you should be able to obtain a mech.dat file that includes those 2 species.

May 30, 2025, 14:11	best therm.dat and mech.dat dile for C3H8 -H2 blending combustion	#1
bmo2024 New Member Benjamín Molina Join Date: Dec 2023 Posts: 1 Rep Power: 0	Hi everyone! I am doing a CFD simulation of a boiler that uses hydrogen and C3H8 as fuel. But I am having difficulty finding therm.dat file and mech.dat file for simulation in Converge. Can someone suggest some credible sources to obtain such files? Thanks for your response.

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August 27, 2025, 11:17		#2
bolun_converge New Member Bolun Xu Join Date: Aug 2023 Location: Madison, WI Posts: 17 Rep Power: 4	Hi, As for the therm.dat, you should be able to get the default one from CONVERGE itself for H2 when you choose Materials -> Gas simulation. And I assume your C3H8 is a liquid to begin with, so you will turn on Materials -> Liquid simulation as well, and in the dialog box of Liquid simulation, you can click on Predefined liquids and find C3H8 there. As for the mechanism, I recommend you load one of CONVERGE examples for internal combustion engines, and pick those that have H2 as the fuel, then export the mech.dat for your own case. You can also use C3 mechanisms from CONVERGE. In the CONVERGE studio, at the bottom there is a row of buttons, choose the one next to the CONVERGE icon, which is the Chemistry tool. On the right-side panel, you can pick C3 Mechanism. Then in the popped-up dialog box, choose H2 and C3H8 in the column of Fuel species, and click extract, then you should be able to obtain a mech.dat file that includes those 2 species.