Difference between revisions of "Diels-Alder Reaction Experimental Design"

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  m_{tot} = n_1 \ \cdots \ M_1 \ + \ n_2 \ \cdots \ M_2 \ + \ n_3 \ \cdots \ M_3 \ + \ n_4 \ \cdots \ M_4  
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  m_{tot} = n_1 \ \cdot \ M_1 \ + \ n_2 \ \cdot \ M_2 \ + \ n_3 \ \cdot \ M_3 \ + \ n_4 \ \cdot \ M_4  
 
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Temperature in Kelvin:
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T = \vartheta + 273
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{| class="wikitable"
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== Parameters ==
 
== Parameters ==

Revision as of 11:52, 4 December 2015

This page can now be filled with content.


Model Formulation

Differential equation system:

\begin{array}{rcl} \dot{n_1}(t) &=& -k \cdot \frac{n_1(t) \ \cdot \ n_2(t)}{m_{tot}}, \\ & & \\ \dot{n_2}(t) &=& -k \cdot \frac{n_1(t) \ \cdot \ n_2(t)}{m_{tot}}, \\ & & \\ \dot{n_2}(t) &=& \ \ k \cdot \frac{n_1(t) \ \cdot \ n_2(t)}{m_{tot}} \end{array}

Reaction velocity constant:

k = k_1 \ \cdot \ exp(- \frac{E_1}{R} \ \cdot \ (\frac{1}{T} \ - \ \frac{1}{T_{ref}}) ) \ + \ k_{cat} \ \cdot \ c_{cat} \ \cdot \ exp(-\lambda \ \cdot \ t) \ \cdot \ exp( - \frac{E_{cat}}{R} \ \cdot \ (\ \frac{1}{T} \ - \ \frac{1}{T_{ref}}) )

Total mass:

m_{tot} = n_1 \ \cdot \ M_1 \ + \ n_2 \ \cdot \ M_2 \ + \ n_3 \ \cdot \ M_3 \ + \ n_4 \ \cdot \ M_4

Temperature in Kelvin:

T = \vartheta + 273


Parameter(s)
Name Symbol Value Unit
Parameter p 23 [-]
Parameter(s)
Name Symbol Value Unit
Parameter p 23 [-]


Parameter(s)
Name Symbol Value Unit
Parameter p 23 [-]

Parameters

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