Appendix A: Thermodynamic Tables

Table A.1 Reaction rate coefficients

Reaction r k0 Eact; J=kmol

H2 12 O2 ! H2O kH2O2 9:87 108 3:1 107CO 12 O2 ! CO2 kCOO20:25H2O0:5 2:239 1012 1:7 108CO 12 O2 CO2 kCO2 5 108 1:7 108C2H2 52 O2 ! 2CO2 H2O kC2H20:5O21:25 3:655 1010 1:256 108C6H6 152 O2 ! 6CO2 3H2O kC6H60:1O21:85 1:125 109 1:256 108C10H22 312 O2 ! 10CO2 11H2O kC10H220:25O21:5 2:587 109 1:256 108C2H6 72 O2 ! 2CO2 3H2O kC2H60:1O21:65 6:186 109 1:256 108C2H4 3O2 ! 2CO2 2H2O kC2H40:1O21:65 1:125 1010 1:256 108C2H5OH 3O2 ! 2CO2 3H2O kC2H5OH0:15O21:6 8:435 108 1:256 109C19H30 532 O2 ! 19CO2 15H2O kC19H300:25O21:5 2:587 109 1:256 108C16H29 934 O2 ! 16CO2 292 H2O kC16H290:25O21:5 2:587 109 1:256 108C12H23 714 O2 ! 12CO2 232 H2O kC12H230:25O21:5 2:587 109 1:256 108CH4 2O2 ! CO2 2H2O kCH40:2O21:3 2:119 1011 2:027 108CH4 32 O2 ! CO 2H2O kCH40:7O20:8 5:012 1011 2 108CH3OH 32 O2 ! CO2 2H2O kCH3OH0:25O21:5 1:799 1010 1:256 108C4H10 132 O2 ! 4CO2 5H2O kC4H100:15O21:6 4:161 109 1:256 108C7H16 11O2 ! 7CO2 8H2O kC7H160:25O21:5 2:868 109 1:256 108C6H14 192 O2 ! 6CO2 7H2O kC6H140:25O21:5 3:205 109 1:256 108C8H18 252 O2 ! 8CO2 9H2O kC8H180:25O21:5 2:587 109 1:256 108C5H12 8O2 ! 5CO2 6H2O kC5H120:25O21:5 3:599 109 1:256 108C3H8 5O2 ! 3CO2 4H2O kC3H80:1O21:65 4:836 109 1:256 108C3H8 72 O2 ! 3CO2 4H2O kC3H80:1O21:65 5:62 109 1:256 108C3H6 92 O2 ! 3CO2 3H2O kC3H60:1O21:85 2:362 109 1:256 108C7H8 9O2 ! 7CO2 4H2O kC7H80:1O21:85 2:362 109 1:256 108

201

Table A.2 Chemical equilibrium constant coefficients

Reaction K A eE0RT A E0(kJ/mol)

H2 12 O2 ! H2O pH2O p1=2refpH2 p

1=2O2

1.44103 246

CO 12 O2 ! CO2 pCO2 p1=2refpCO p1=2O2

3.13105 282

C2H2 52 O2 ! 2CO2 H2O p2CO2 pH2O p1=2refpC2H2 p

5=2O2

2.99106 1,260

C6H6 152 O2 ! 6CO2 3H2O p6CO2 p3H2OpC6H6 p

15=2O2p1=2ref

5.06103 3,140

C10H22 312 O2 ! 10CO2 11H2O p10CO2 p11H2OpC10H22 p

31=2O2p9=2ref

7.861036 6,300

C2H6 72 O2 ! 2CO2 3H2O p2CO2 p3H2OpC2H6 p

7=2O2p1=2ref

2.79104 1,390

C2H4 3O2 ! 2CO2 2H2O p2CO2 p2H2OpC2H4 p3O2

0.289 1,300

C2H5OH 3O2 ! 2CO2 3H2O p2CO2 p3H2OpC2H5OH p3O2 pref

1.97106 1,260

CH4 2O2 ! CO2 2H2O pCO2 p2H2OpCH4 p2O2

0.912 801

CH4 32 O2 ! CO 2H2O pCO p2H2OpCH4 p

3=2O2p1=2ref

2.77104 519

CH3OH 32 O2 ! CO2 2H2O pCO2 p2H2OpCH3OH p

3=2O2p1=2ref

2760 661

C4H10 132 O2 ! 4CO2 5H2O p4CO2 p5H2OpC4H10 p

15=2O2p3=2ref

5.87109 2,630

C7H16 11O2 ! 7CO2 8H2O p7CO2 p8H2OpC7H16 p11O2 p

3ref

1.771019 4,460

C6H14 192 O2 ! 6CO2 7H2O p6CO2 p7H2OpC6H14 p

19=2O2p5=2ref

9.121016 3,840

C8H18 252 O2 ! 8CO2 9H2O p8CO2 p9H2OpC8H18 p

25=2O2p7=2ref

4.771024 5,040

C5H12 8O2 ! 5CO2 6H2O p5CO2 p6H2OpC5H12 p8O2 p

2ref

5.121012 3,240

C3H8 5O2 ! 3CO2 4H2O p3CO2 p4H2OpC8H8 p5O2 pref

7.2106 2,020

C3H8 72 O2 ! 3CO2 4H2O p3CO2 p4H2OpC3H8 p

7=2O2p5=2ref

2.78104 1410

C3H6 92 O2 ! 3CO2 3H2O p3CO2 p3H2OpC6H6 p

9=2O2p1=2ref

133 1,910

C7H8 9O2 ! 7CO2 4H2O p7CO2 p4H2OpC7H8 p9O2 pref

3.23105 3,750

202 Appendix A: Thermodynamic Tables

Appendix B: Electrochemical Impedance SpectroscopyExperimental Data

Fig. B.1 Impedance spectra with temperature and variable fuel utilization (pure H2 fuel)

Fig. B.2 Impedance spectra with temperature and variable fuel utilization (pure H2 fuel)

203

Fig. B.3 Impedance spectra with temperature and variable fuel utilization (pure H2 fuel)

Fig. B.4 Impedance spectra with temperature and variable fuel utilization (pure H2 fuel)

Fig. B.5 Impedance spectra with fuel utilization and variable temperature (pure H2 fuel)

204 Appendix B: Electrochemical Impedance Spectroscopy Experimental Data

Fig. B.6 Impedance spectra with fuel utilization and variable temperature (pure H2 fuel)

Fig. B.7 Impedance spectra with fuel utilization and variable temperature (pure H2 fuel)

Fig. B.8 Impedance spectra with fuel utilization and variable temperature (pure H2 fuel)

Appendix B: Electrochemical Impedance Spectroscopy Experimental Data 205

Fig. B.9 Impedance spectra with temperature and variable diluents concentration (H2 fuel)

Fig. B.10 Impedance spectra with temperature and variable diluents concentration (H2 fuel)

Fig. B.11 Impedance spectra with temperature and variable diluents concentration (H2 fuel)

206 Appendix B: Electrochemical Impedance Spectroscopy Experimental Data

Fig. B.12 Impedance spectra with temperature and variable diluents concentration (H2 fuel)

Fig. B.13 Impedance spectra with N2-diluted fuel and variable temperature

Fig. B.14 Impedance spectra with N2-diluted fuel and variable temperature

Appendix B: Electrochemical Impedance Spectroscopy Experimental Data 207

Fig. B.15 Impedance spectra with N2-diluted fuel and variable temperature

Fig. B.16 Impedance spectra with N2-diluted fuel and variable temperature

Fig. B.17 Impedance spectra with He-diluted fuel and constant temperature

208 Appendix B: Electrochemical Impedance Spectroscopy Experimental Data

Fig. B.18 Diluents effect on cell electrochemical performance: comparison between N2/H2 andHe/H2 fuel mixtures

Fig. B.19 Diluents effect on cell electrochemical performance: comparison between N2/H2 andHe/H2 fuel mixtures

Fig. B.20 Impedance spectra with temperature and variable oxidant utilization (pure H2 fuel)

Appendix B: Electrochemical Impedance Spectroscopy Experimental Data 209

Fig. B.21 Impedance spectra with temperature and variable oxidant utilization (pure H2 fuel)

Fig. B.22 Impedance spectra with temperature and variable oxidant utilization (pure H2 fuel)

Fig. B.23 Impedance spectra with temperature and variable oxidant utilization (pure H2 fuel)

210 Appendix B: Electrochemical Impedance Spectroscopy Experimental Data

Fig. B.24 Impedance spectra with temperature and variable oxidant utilization (pure H2 fuel)

Fig. B.25 Impedance spectra with temperature and variable oxidant utilization (pure H2 fuel)

Fig. B.26 Impedance spectra with temperature and variable oxidant utilization (pure H2 fuel)

Appendix B: Electrochemical Impedance Spectroscopy Experimental Data 211

Fig. B.27 Impedance spectra with temperature and variable oxidant utilization (pure H2 fuel)

212 Appendix B: Electrochemical Impedance Spectroscopy Experimental Data

Table C.1 The values of theweights for the ANN basedmodel of SOFC

Layernumber

Neuronnumberof k layer

Neuron number ofk - 1 layer if k = 1,j indicates input

value j = 0 indicatesa bias

Weight

k i j w

1 1 0 0.824091 1 1 -1.81591 1 2 -0.00312771 1 3 0.0345361 1 4 0.0296321 2 0 -1.21551 2 1 -1.90061 2 2 0.00277591 2 3 0.211061 2 4 0.0103531 3 0 -1.35841 3 1 -0.434811 3 2 0.00379891 3 3 -0.0293621 3 4 0.00857412 1 0 -0.18172 1 1 1.66212 1 2 1.4472 1 3 1.3673

Appendix C: Weight Values for ANN Models

213

Index

AActivation

energy, 33losses, 93

Area specific internal electronicresistance, 102

Area specific internal ionicresistance, 102

Arrheniusequation, 33

Artificial immunenetwork, 14

Artificial neuralnetwork, 61, 126

BBaur, 6Bayesion

regularization, 118Bruner, 4Butler-Volmer

equation, 98

CChiller

absorption, 175Constant

chemical equlibrium, 26, 28Cost

installation, 13maintain, 13

Current densitymaximum, 103

Current-voltagecurve, 70, 95

DDavid Henry, 3Diffusion, 38

binary coefficient, 41Knudsen, 38molecular, 38

Dusty model, 39

EElectrolyte

material, 10type, 10

Energyinternal, 21

Epochstraining, 119

FFermi

golden rule, 34Fick

Adolf, 39laws, 39

first, 39second, 39

Fuelbio-fuel, 184

gasification, 191synthetic, 65

Fuel utilizationfactor, 70

Fuzzy logicmethod, 56

Fuzzy neuralnetwork, 57

215

GGeneration

centralized, 14distributed, 14triple, 172

Grove Wiliam, 3

HHaber, 4Heat

absorption, 20formation, 22generation, 20

Hesslaw, 21

Hessianmatrix, 55

IImmune

response, 61Isothermal

conditions, 20

JJacques

William, 3

KKirchhoff

equations, 22, 23Kohonen

network, 58

LLanger , 2

Charles, 1, 2Le Chatelier-Braun

principle, 28Levenberg-Marquardt

algorithm, 118method, 55

Lymphocyte, 61

MModel

black-box, 114hybrid-artificial neural network, 119

MondLudwig, 1, 2

NNernst

equation, 93lamp, 6mass, 7Wiliam, 4

Networkweights, 118

Neuron, 113Newton

method, 55

OOff-desing

operation, 107Office building, 15Ostwald, 3Overfitting, 118

PPower

grid, 14Preis, 6

RRayleigh, 2Reaction

chemical, 19work, 19

degree, 34endothermic, 19exothermic, 19half-life, 32heat, 20, 21

isobaric-isothermal, 21isochoric-

isothermal, 21heterogeneous, 26homogeneous, 26isotherm, 27order, 32rate

constant, 32speed, 32work

maximum, 23Ruka, 9

216 Index

SSingular cell, 97Standard

enthalpy, 21State

standard, 21Steady state, 30

conditions, 31Stefan-Maxwell

diffusion, 40equation, 38

Systemheterogeneous, 26homogeneous, 26

TTafel

equation, 98Takagi-Sugeno

inference, 57Thompson, 3

Vvant Hoff, 23

chamber, 23isotherm, 27

Voltagemaximum, 103

WWeissbart, 9Westinghouse Electric

Corporation, 9

Index 217

Appendix A: Thermodynamic TablesAppendix B: Electrochemical Impedance SpectroscopyExperimental DataAppendix C: Weight Values for ANN ModelsIndex

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