Differntial-algebraic equation DAE - chemical reactor

[fgörlich]

Hi,

I have a question to solve a DAE-system of a chemical reactor. In the picture you can see a minimal example. Its a simple reaction A to B with a first order kinetic multiplicated with an arhenius equation and an empirical pressure factor. To solve the DGL system, I have to predict the pressure p, wich depends on the mol fractions and temperatur. So this is my algebraic equation. This equation is combined with a DGL of the energy balance and two mass balnce. How can I solve such a system? With the example of mathcad, i can't solve this. Is there a simple way or standard method? I want to solve the system with RADAU so i have to built the vector function D. How i have to implement the pressure equation?

Thanks for your help

[ValeryOchkov]

Sorry, I have not Prime 4

But someone I have here

Chemical Kinetics with Mathcad and Maple

[-MFra-]

[ValeryOchkov]

F.M. написал(а):

It is not a temperature - it is one coefficient?

[-MFra-]

It is evident that the unit of measurement is incorrect. He must use the most appropriate one.

[fgörlich]

It is a simplification of an antoine-equation. Its a fit parameter.

The equation of arhenus was wrong. I correct it. But i only need the method to solve a DAE. The values of the parameters are only for the prediction. they are not messured or physically correct.

@

[mvenich]

Before anyone spends time on this, you need to resolve all the typographical errors in the Mathcad worksheet.

For example, in the parameters you have m_FA, but in the equations you have m_AF, etc

[DJF]

As an interesting aside, negative absolute temperatures are actually possible.  Although they are hotter than infinite temperature ...

A temperature below absolute zero | Max Planck Society

Negative temperature - Wikipedia

[-MFra-]

... it sounds to me almost as if I say something goes at a speed v> c. I agree that numerically everything is possible...