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POLYMATH Report Calculated Values of DEQ Variables PUNTOS A, B y C Variable Initial Value Final Value Minimal Value Maximal Value

This document contains the results of calculations for a system of ordinary differential equations (ODEs) modeling chemical reactions. It provides the initial and final values, as well as the minimum and maximum values, for the variables in the ODE system over a time period from 0 to 15 seconds. The ODEs model a reaction with species A and B, where the rate of change of A depends on its concentration and a rate constant k1, and the rate of change of B depends on the rates of production of B from A and its loss with rate constant k2. The document also shows the calculated concentrations of A and B at 50 time points throughout the simulation.
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0% found this document useful (0 votes)
30 views7 pages

POLYMATH Report Calculated Values of DEQ Variables PUNTOS A, B y C Variable Initial Value Final Value Minimal Value Maximal Value

This document contains the results of calculations for a system of ordinary differential equations (ODEs) modeling chemical reactions. It provides the initial and final values, as well as the minimum and maximum values, for the variables in the ODE system over a time period from 0 to 15 seconds. The ODEs model a reaction with species A and B, where the rate of change of A depends on its concentration and a rate constant k1, and the rate of change of B depends on the rates of production of B from A and its loss with rate constant k2. The document also shows the calculated concentrations of A and B at 50 time points throughout the simulation.
Copyright
© © All Rights Reserved
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
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POLYMATH Report

DEQ

Ordinary Differential Equations

2016-Sep-26

Calculated values of DEQ variables


PUNTOS a,b y c
Variable

Initial value

Final value

Minimal value

Maximal value

1 A

0.006738

0.006738

2 B

0.897262

0.904905

3 k1

10

10

10

10

4 k2

0.192

0.192

0.192

0.192

5 t

0.5

0.5

Differential equations
1
d(A)/d(t) = -k1*A
2
d(B)/d(t) = k1*A - k2

16

0.163558

0.194839

0.773758

17

0.171558

0.179859

0.787202

18

0.187558

0.153266

0.810723

Explicit equations
1
k1 = 10
2
k2 = 0.192

19

0.195558

0.141482

0.820971

20

0.203558

0.130604

0.830313

21

0.211558

0.120563

0.838818

22

0.227558

0.102737

0.853572

23

0.235558

0.094838

0.859935

24

0.243558

0.087547

0.86569

25

0.251558

0.080816

0.870885

26

0.267558

0.068867

0.879762

27

0.275558

0.063572

0.883521

28

0.283558

0.058684

0.886873

29

0.291558

0.054172

0.889848

30

0.307558

0.046163

0.894786

31

0.315558

0.042614

0.896799

32

0.323558

0.039337

0.89854

33

0.331558

0.036313

0.900028

Problem source text


# S. 10 - ODE System
# Simple set of consecutive reactions
d(A)/d(t) = -k1*A
d(B)/d(t) = k1*A - k2
k1 = 10
k2 = 0.192
A(0) = 1
B(0) = 0
t(0) = 0
t(f) = 0.5
Calculated data points
t

34

0.347558

0.030944

0.902325

35

0.355558

0.028565

0.903168

0.027558

0.759129

0.235579

36

0.363558

0.026369

0.903828

0.035558

0.700765

0.292408

37

0.371558

0.024341

0.90432

0.043558

0.646887

0.344749

38

0.387558

0.020742

0.904847

0.051558

0.597152

0.392949

39

0.395558

0.019147

0.904905

0.067558

0.50886

0.478169

40

0.403558

0.017675

0.904841

0.075558

0.469737

0.515756

41

0.411558

0.016316

0.904664

0.083558

0.433622

0.550335

42

0.427558

0.013904

0.904005

0.091558

0.400283

0.582138

43

0.435558

0.012835

0.903538

10

0.107558

0.341099

0.63825

44

0.443558

0.011848

0.902989

11

0.115558

0.314874

0.662939

45

0.451558

0.010937

0.902364

12

0.123558

0.290665

0.685612

46

0.467558

0.00932

0.900909

13

0.131558

0.268318

0.706423

47

0.475558

0.008604

0.900089

14

0.147558

0.228645

0.743023

48

0.483558

0.007942

0.899215

15

0.155558

0.211066

0.759067

49

0.491558

0.007331

0.898289

50

0.5

0.006738

0.897262

d) Clculos para el consumo durante la primera media hora


Calculated values of DEQ variables
Variable

Initial value

Final value

Minimal value

Maximal value

1 A

0.006738

0.006738

2 B

0.897262

0.904905

3 k1

10

10

10

10

4 k2

0.192

0.192

0.192

0.192

5 t

0.5

0.5

Differential equations
1 d(A)/d(t) = -k1*A
2 d(B)/d(t) = k1*A - k2

12

0.123558

0.290665

0.685612

13

0.131558

0.268318

0.706423

14

0.147558

0.228645

0.743023

Explicit equations
1
k1 = 10
2
k2 = 0.192

15

0.155558

0.211066

0.759067

16

0.163558

0.194839

0.773758

17

0.171558

0.179859

0.787202

18

0.187558

0.153266

0.810723

19

0.195558

0.141482

0.820971

20

0.203558

0.130604

0.830313

21

0.211558

0.120563

0.838818

22

0.227558

0.102737

0.853572

23

0.235558

0.094838

0.859935

24

0.243558

0.087547

0.86569

25

0.251558

0.080816

0.870885

26

0.267558

0.068867

0.879762

27

0.275558

0.063572

0.883521

28

0.283558

0.058684

0.886873

29

0.291558

0.054172

0.889848

30

0.307558

0.046163

0.894786

31

0.315558

0.042614

0.896799

32

0.323558

0.039337

0.89854

33

0.331558

0.036313

0.900028

34

0.347558

0.030944

0.902325

35

0.355558

0.028565

0.903168

36

0.363558

0.026369

0.903828

37

0.371558

0.024341

0.90432

38

0.387558

0.020742

0.904847

39

0.395558

0.019147

0.904905

40

0.403558

0.017675

0.904841

41

0.411558

0.016316

0.904664

Problem source text


# S. 10 - ODE System
# Simple set of consecutive reactions
# Verified Final Values
d(A)/d(t) = -k1*A
d(B)/d(t) = k1*A - k2
k1 = 10
k2 = 0.192
A(0) = 1
B(0) = 0
t(0) = 0
t(f) = 0.5
Calculated data points
t

0.027558

0.759129

0.235579

0.035558

0.700765

0.292408

0.043558

0.646887

0.344749

0.051558

0.597152

0.392949

0.067558

0.50886

0.478169

0.075558

0.469737

0.515756

0.083558

0.433622

0.550335

0.091558

0.400283

0.582138

10

0.107558

0.341099

0.63825

11

0.115558

0.314874

0.662939

42

0.427558

0.013904

0.904005

43

0.435558

0.012835

0.903538

44

0.443558

0.011848

0.902989

45

0.451558

0.010937

0.902364

46

0.467558

0.00932

0.900909

47

0.475558

0.008604

0.900089

48

0.483558

0.007942

0.899215

49

0.491558

0.007331

0.898289

50

0.5

0.006738

0.897262

Calculated values of DEQ variables


Variable

Initial value

Final value

Minimal value

Maximal value

1 A

1.00674

1.33E-108

1.33E-108

1.00674

2 B

0.897262

-0.88

-0.88

1.78897

3 k1

10

10

10

10

4 k2

0.192

0.192

0.192

0.192

5 t

0.5

15

0.5

15

Clculos para el consumo durante la segunda media hora


Differential equations
1 d(A)/d(t) = -k1*A
2 d(B)/d(t) = k1*A - k2

17

5.45384

1.17E-29

0.952863

18

5.91784

1.67E-33

0.863775

19

6.14984

2.0E-35

0.819231

Explicit equations
1
k1 = 10
2
k2 = 0.192

20

6.38184

2.4E-37

0.774687

21

6.61384

2.87E-39

0.730143

22

7.07784

4.12E-43

0.641055

23

7.30984

4.93E-45

0.596511

24

7.54184

5.9E-47

0.551967

d(A)/d(t) = -k1*A
d(B)/d(t) = k1*A - k2
k1 = 10
k2 = 0.192
A(0) = 1.006738
B(0) =0.897262
t(0)= 0.5
t(f) = 15

25

7.77384

7.06E-49

0.507423

26

8.23784

1.01E-52

0.418335

27

8.46984

1.21E-54

0.373791

28

8.70184

1.45E-56

0.329247

29

8.93384

1.74E-58

0.284703

30

9.39784

2.49E-62

0.195615

31

9.62984

2.98E-64

0.151071

Calculated data points

32

9.86184

3.57E-66

0.106527

33

10.0938

4.28E-68

0.061983

10.5578

6.13E-72

-0.027105

Problem source text

0.5

1.00674

0.897262

34

1.08384

0.002933

1.78897

35

10.7898

7.34E-74

-0.071649

11.0218

8.79E-76

-0.116193

1.3755

0.000159

1.73574

36

1.66717

8.59E-06

1.67989

37

11.2538

1.05E-77

-0.160737

11.7178

1.51E-81

-0.249825

1.96405

4.41E-07

1.6229

38

2.24787

2.58E-08

1.56841

39

11.9498

1.81E-83

-0.294369

1.51305

40

12.1818

2.16E-85

-0.338913

12.4138

2.59E-87

-0.383457

2.53621

1.44E-09

2.86562

5.36E-11

1.4498

41

3.13635

3.56E-12

1.39782

42

12.8778

3.71E-91

-0.472545

13.1098

4.45E-93

-0.517089

10

3.40878

2.24E-13

1.34551

43

11

3.82984

3.31E-16

1.26467

44

13.3418

5.32E-95

-0.561633

1.22013

45

13.5738

6.37E-97

-0.606177

14.0378

9.14E-101

-0.695265

12

4.06184

3.96E-18

13

4.29384

4.74E-20

1.17558

46

14

4.75784

6.8E-24

1.0865

47

14.2698

1.09E-102

-0.739809

14.5018

1.31E-104

-0.784353

14.7338

1.57E-106

-0.828897

15

4.98984

8.14E-26

1.04195

48

16

5.22184

9.74E-28

0.997407

49

50

15

1.33E-108

-0.88

Calculated values of DEQ variables


Variable

Initial value

Final value

Minimal value

Maximal value

1 A

1.54E-53

0.172016

2 B

-1.304

-1.304

0.745569

3 k1

10

10

10

10

4 k2

0.192

0.192

0.192

0.192

5 t

12

12

Differential equations
d(A)/d(t) = if (t <1)then (-k1*A+2*t)
1
else(-k1*A)
2 d(B)/d(t) = k1*A - k2

15

3.72487

2.53E-13

0.284821

16

3.91053

3.32E-14

0.249174

17

4.10253

3.87E-15

0.21231

18

4.48653

5.24E-17

0.138582

Explicit equations
1
k1 = 10
2
k2 = 0.192

19

4.67853

6.1E-18

0.101718

20

4.87053

7.11E-19

0.064854

21

5.06253

8.27E-20

0.02799

22

5.44653

1.12E-21

-0.045738

23

5.63853

1.31E-22

-0.082602

24

5.83053

1.52E-23

-0.119466

25

6.02253

1.77E-24

-0.15633

26

6.40653

2.4E-26

-0.230058

27

6.59853

2.8E-27

-0.266922

28

6.79053

3.25E-28

-0.303786

29

6.98253

3.79E-29

-0.34065

30

7.36653

5.14E-31

-0.414378

31

7.55853

5.98E-32

-0.451242

32

7.75053

6.97E-33

-0.488106

Problem source text


d(A)/d(t) = if (t <1)then (-k1*A+2*t) else(k1*A)
d(B)/d(t) = k1*A - k2
k1 = 10
k2 = 0.192
A(0) = 0
B(0) =0
t(0)= 0
t(f) = 12
Calculated data points

33

7.94253

8.11E-34

-0.52497

34

8.32653

1.1E-35

-0.598698

35

8.51853

1.28E-36

-0.635562

0.499437

0.080023

0.073522

36

8.71053

1.49E-37

-0.672426

0.761823

0.132374

0.30173

37

8.90253

1.74E-38

-0.70929

0.960071

0.172016

0.565387

38

9.28653

2.35E-40

-0.783018

1.20788

0.022514

0.745569

39

9.47853

2.74E-41

-0.819882

1.44883

0.002023

0.719798

40

9.67053

3.19E-42

-0.856746

1.68977

0.000182

0.675378

41

9.86253

3.71E-43

-0.89361

1.93071

1.63E-05

0.629283

42

10.2465

5.04E-45

-0.967338

2.17166

1.47E-06

0.583036

43

10.4385

5.86E-46

-1.0042

10

2.40468

1.43E-07

0.538297

44

10.6305

6.83E-47

-1.04107

11

2.65414

1.18E-08

0.4904

45

10.8225

7.95E-48

-1.07793

12

2.90438

9.65E-10

0.442355

46

11.2065

1.08E-49

-1.15166

13

3.18827

5.64E-11

0.387847

47

11.3985

1.25E-50

-1.18852

14

3.45626

3.86E-12

0.336394

48

11.5905

1.46E-51

-1.22539

49

11.7825

1.7E-52

-1.26225

50

12

1.54E-53

-1.304

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