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POLYMATH DEQ Migration Document: Variable Value

This document contains a migration of variables and equations from an explicit format to a Polymath equation format. It includes kinetic rate constants, integration variables, ordinary differential equations, and comments related to an ethylene reaction mechanism. The independent variable is time ranging from 0 to 1.

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44 views2 pages

POLYMATH DEQ Migration Document: Variable Value

This document contains a migration of variables and equations from an explicit format to a Polymath equation format. It includes kinetic rate constants, integration variables, ordinary differential equations, and comments related to an ethylene reaction mechanism. The independent variable is time ranging from 0 to 1.

Uploaded by

AnggaAchmad
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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POLYMATH DEQ Migration Document

Variable Value Polymath Equation


Explicit Eqs k1 10.058887691 k1=10*exp((87500/R)*(1/1250-1/T))
k3 32086007.004 k3=3.2*(10^6)*exp((40000/R)*(1/1250-1/T))
k5 398000000000 k5=3.98*(10^9)
k2 845737446.25 k2=8.45*(10^6)*exp((13000/R)*(1/1250-1/T))
k4 253164730673 k4=2.53*(10^9)*exp((9700/R)*(1/1250-1/T))
R 1987 R=1.987
T 1500 T=1500
Integration Vars c5 0 c5(0)=0
c4 0 c4(0)=0
c3 0 c3(0)=0
c2 0 c2(0)=0
c8 0 c8(0)=0
c7 0 c7(0)=0
c6 0 c6(0)=0
c1 0.1 c1(0)=0,1
CP5 0 CP5(0)=0
CP1 0.1 CP1(0)=0,1
ODE Eqs d(c5)/d(t) 0 d(c5)/d(t) = k3*c4
d(c4)/d(t) 0 d(c4)/d(t) = k2*c1*c2-k3*c4+k4*c1*c6-k5*(c4^2)
d(c3)/d(t) 0 d(c3)/d(t) = k2*c1*c2
d(c2)/d(t) 2.0117775382 d(c2)/d(t) = 2*k1*c1-k2*c2*c1
d(c8)/d(t) 0 d(c8)/d(t) = 1/2*k5*(c4^2)
d(c7)/d(t) 0 d(c7)/d(t) = k4*c1*c6
d(c6)/d(t) 0 d(c6)/d(t) = k3*c4-k4*c1*c6
d(c1)/d(t) -1.0058887691 d(c1)/d(t) = -k1*c1-k2*c1*c2-k4*c1*c6
d(CP5)/d(t) 1.05877E-049 d(CP5)/d(t) = k3*((2*k1/k5)^0.5)*(CP1^0.5)
d(CP1)/d(t) -3.0176663073 d(CP1)/d(t) = -k1*CP1-2*k1*CP1-(k3*(2*k1/k5)^0.5)*(CP1^0.5)
Indep Var t 0 t(0)=0 ; t(f)=1
Comments
K

ethylene
ethaneradical
Methane
Methaneradical
butane
hidrogen
Hradical
Ethane

k1/k5)^0.5)*(CP1^0.5)

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