CottonSocks
Chemical
- Sep 1, 2015
- 1
Hi folks,
I am looking into writing a solver for a precipitation reaction (struvite to be precise): A+B+C+D <=> E+F
A, B, C, D, F - liquids; E - solid (for now I ignore the 'solid' part and focus only on mass transfer)
As far as I understand precipitation is a thermoneutral reaction (or at least in comparison to combustive reactions), hence I have avoided using combustion-thermo-chemistry libs/classes and methods in OpenFOAM (same is valid for FLUENT).
So far I have written a simple multispecies transfer solver that performs a forwards reaction. For mass transport source term currently my option is on using 'Laminar finite rate model' as in Fluent, though - I was not able to find out in the literature whether this is appropriate for precipitation reactions (If anyone could answer that then I'd be grateful).
Unfortunately, this is where I end up at and in order to move the development forwards (get backwards transfer working) I either need to rewrite some classes from chemistry/thermo/combustion libs, or go with modifying existent combustion solvers.
I'd be glad if anyone could give me some pointers on:
a) Correct methodologies used to tackle such simulations?
b) Any literature pointers on what models are used on such reactions?
c) If anyone worked on similar stuff maybe you could share your ideas on what would be the best way to approach these type of problems?
Cheers,
Ben
I am looking into writing a solver for a precipitation reaction (struvite to be precise): A+B+C+D <=> E+F
A, B, C, D, F - liquids; E - solid (for now I ignore the 'solid' part and focus only on mass transfer)
As far as I understand precipitation is a thermoneutral reaction (or at least in comparison to combustive reactions), hence I have avoided using combustion-thermo-chemistry libs/classes and methods in OpenFOAM (same is valid for FLUENT).
So far I have written a simple multispecies transfer solver that performs a forwards reaction. For mass transport source term currently my option is on using 'Laminar finite rate model' as in Fluent, though - I was not able to find out in the literature whether this is appropriate for precipitation reactions (If anyone could answer that then I'd be grateful).
Unfortunately, this is where I end up at and in order to move the development forwards (get backwards transfer working) I either need to rewrite some classes from chemistry/thermo/combustion libs, or go with modifying existent combustion solvers.
I'd be glad if anyone could give me some pointers on:
a) Correct methodologies used to tackle such simulations?
b) Any literature pointers on what models are used on such reactions?
c) If anyone worked on similar stuff maybe you could share your ideas on what would be the best way to approach these type of problems?
Cheers,
Ben
