How to simulate Proton transfer reaction??

manoj150816 · December 12, 2023, 07:59

How can I simulate the proton transfer reaction between two immiscible liquids in a microchannel. Its basically a redox reaction of formation of H2O2. Anyone with basic knowledge on this also please respond..

ghorrocks · December 12, 2023, 17:58

CFX has a chemistry model built in. There are some basic tutorials on it available on the ANSYS Customer site.

Opaque · December 12, 2023, 18:32

Quote:

Originally Posted by manoj150816

How can I simulate the proton transfer reaction between two immiscible liquids in a microchannel. Its basically a redox reaction of formation of H2O2. Anyone with basic knowledge on this also please respond..

Write your redox reaction equation here, in common literature nomenclature, and we can try to help you

manoj150816 · December 14, 2023, 07:26

Thank you for your response

I am attaching an image containing reaction please refer.

Description:

DMFc is Decamethylferrocene, and the water phase contains acid HCLO4.

The oil phase is α,α,α-triﬂuorotoluene (TFT)

For more info please refer to this paper DOI: https://doi.org/10.1021/acs.jpcc.5b06620

Thanks again

Waiting for response..

December 12, 2023, 07:59	How to simulate Proton transfer reaction??	#1
manoj150816 New Member Manoj Join Date: Nov 2023 Posts: 6 Rep Power: 2	How can I simulate the proton transfer reaction between two immiscible liquids in a microchannel. Its basically a redox reaction of formation of H2O2. Anyone with basic knowledge on this also please respond..

December 12, 2023, 17:58		#2
ghorrocks Super Moderator Glenn Horrocks Join Date: Mar 2009 Location: Sydney, Australia Posts: 17,854 Rep Power: 144	CFX has a chemistry model built in. There are some basic tutorials on it available on the ANSYS Customer site. __________________ Note: I do not answer CFD questions by PM. CFD questions should be posted on the forum.

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