Steady-state 0-D reactors

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Zero-dimensional reactor library is very useful for simple calculations. Since 
these reactors do not accept the calculation of steady-state directly you must 
integrate in time until to consider to have reaching steady-state. This 
procedure spends valuable time for calculation!
One option should be to have a parameter such as steady-state='on' in Reactor 
class that eliminates the time terms of mass and energy balances. 

Original issue reported on code.google.com by rodolfo.enq on 16 Jul 2012 at 7:36

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Eliminating the time derivatives in the mass and energy equations transforms 
the equations into a system of non-linear algebraic equations. Robust 
algorithms for solving such systems are hard to come by, so time marching is 
probably the simplest way to find steady-state solutions.

That said, it would be useful to have an easier interface for getting the 
steady-state solution of a reactor network instead of requiring the user to 
advance the integrator and check for convergence manually.

Original comment by yarmond on 26 Jul 2012 at 9:48

• Changed state: Accepted
• Removed labels: OpSys-Linux

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Hi,

If there is a way to access the function argument going to the DAE solver, then 
the matter of finding the robust nonlinear programming routine can be left to 
the user.

Thanks.

Ali Al-Matouq

Original comment by aaalmat...@gmail.com on 18 May 2013 at 7:05

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If all you want is access to the residual function, it's already there (in C++, 
at any rate). See "ReactorNet::eval" and the related 
"ReactorNet::getInitialConditions" function.

Original comment by yarmond on 23 May 2013 at 6:39