Scribd
Upload
65 views4 pages

Variable Initial Value Minimal Value Maximal Value Final Value

The document is a report from the Polymath program calculating values for variables in ordinary differential equations modeling a chemical reaction over time. It lists the initial, minimum, maximum and final values of 16 variables and defines 10 differential equations and 6 explicit equations to model the reaction. Graphs are included comparing the concentration-time trajectories of reactants and products.

Uploaded by

j0haNN3s
Copyright
© Attribution Non-Commercial (BY-NC)
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as DOCX, PDF, TXT or read online on Scribd
65 views4 pages

Variable Initial Value Minimal Value Maximal Value Final Value

The document is a report from the Polymath program calculating values for variables in ordinary differential equations modeling a chemical reaction over time. It lists the initial, minimum, maximum and final values of 16 variables and defines 10 differential equations and 6 explicit equations to model the reaction. Graphs are included comparing the concentration-time trajectories of reactants and products.

Uploaded by

j0haNN3s
Copyright
© Attribution Non-Commercial (BY-NC)
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as DOCX, PDF, TXT or read online on Scribd
You are on page 1/ 4

POLYMATH Report

Program Polymath for TRK (EXAMPLE 7 -2)


07-Oct-2013

Ordinary Differential Equations

Calculated values of DEQ variables


Variable Initial value Minimal value Maximal value Final value
1

12.

12.

C1

0.1

0.0002109

0.1

0.0002109

C2

1.311E-09

1.311E-09

C6

3.602E-09

3.602E-09

C4

2.665E-07

1.276E-08

C7

0.0979179

0.0979179

C3

0.0012475

0.0012475

C5

0.0979179

0.0979179

C8

0.0006237

0.0006237

10

CP5

0.0979123

0.0979123

11

CP1

0.1

0.0002166

0.1

0.0002166

12

k5

3.98E+09

3.98E+09

3.98E+09

3.98E+09

13

1000.

1000.

1000.

1000.

14

k1

0.0014964

0.0014964

0.0014964

0.0014964

15

k2

2.283E+06

2.283E+06

2.283E+06

2.283E+06

16

k4

9.53E+08

9.53E+08

9.53E+08

9.53E+08

17

k3

5.71E+04

5.71E+04

5.71E+04

5.71E+04

Differential equations
1

d(C1)/d(t) = -k1 * C1 - k2 * C1 * C2 - k4 * C1 * C6

d(C2)/d(t) = 2 * k1 * C1 - k2 * C1 * C2

d(C6)/d(t) = k3 * C4 - k4 * C6 * C1

d(C4)/d(t) = k2 * C1 * C2 - k3 * C4 + k4 * C6 * C1 - k5 * C4 ^ 2

d(C7)/d(t) = k4 * C1 * C6

d(C3)/d(t) = k2 * C1 * C2

d(C5)/d(t) = k3 * C4

d(C8)/d(t) = 0.5 * k5 * C4 ^ 2

d(CP5)/d(t) = k3 * (2 * k1 / k5) ^ 0.5 * CP1 ^ 0.5

10 d(CP1)/d(t) = -k1 * CP1 - 2 * k1 * CP1 - (k3 * (2 * k1 / k5) ^ 0.5 * (CP1 ^ 0.5))


Explicit equations
1 k5 = 3980000000
2 T = 1000
3 k1 = 10 * exp((87500 / 1.987) * (1 / 1250 - 1 / T))
4 k2 = 8450000 * exp((13000 / 1.987) * (1 / 1250 - 1 / T))
5 k4 = 2530000000 * exp((9700 / 1.987) * (1 / 1250 - 1 / T))
6 k3 = 3200000 * exp((40000 / 1.987) * (1 / 1250 - 1 / T))

General
Total number of equations

16

Number of differential equations

10

Number of explicit equations

Elapsed time

0.000 sec

Solution method

stiff

Independent variable accuracy. eps

0.00001

First stepsize guess. h1

0.0001

Minimum allowed stepsize. hmin

0.00000001

Good steps

141

Bad steps
0
Data file: c:\users\user\documents\program buat trk.pol

Grafik : Contetration of active intermediate CH3

as Function of time

Grafik : Comparasion of concentration-time trajectories for ethane

Grafik : Comparasion of concentration-time trajectories for ethylene

Grafik : Comparasion of concentration-time trajectories for methane (C3) and Butane (C4)

You might also like