APPENDIX A

Mass Diffusivity Determination

Table 11-1. Lennard Jones Constants

Properties from (Kimmel, A. (2011). Heat and

Mass Transfer Correlations for Steam Methane
Reforming in Non-Adiabatic, Process-
Intensified Catalytic Reactors. Marquette
University e-Publications, 130.)

a methane
b H2O
T,K 1073.15
Ma (g/mol) 16.04
Mb (g/mol) 18.02
p (atm) 29.607698
a (A) 3.78
b (A) 3.166
(/k)a, K 154
(/k)b, K 94.5

ab =k a b

,ab 3.473
120.63581
,ab 56k
8.8957826
kT/.ab 9
Interpolating
kT/ ,ab
8 0.7711
9 0.7555
8.89578269 0.7571257
9
Dab (cm2/s) 0.082940561

APPENDIX B
Internal Transport Calculations
 APPENDIX C
Combined Internal and External Effectiveness Factor

Combined Internal Unit

and External Properties s Value
Internal Effectiveness 1.05191E-
Isothermal Factor - 05
kmam - 5.052775
 536
2.52482E-
k - 07
4.9969E-
Damkohler Number (Da) - 08
Interphase Effectiveness 0.999999
Factor 95
Overall Effectiveness 1.05191
Factor - E-05

Internal Effectiveness 1.07211E-

Non-Isothermal Factor - 05
5.052775
kmam - 536
2.22105E-
k - 07
4.39571E-
Damkohler Number (Da) - 08
Interphase Effectiveness 0.999999
Factor 956
Overall Effectiveness 1.07211
Factor - E-05

Equations:

Da=k /k m am
1
interphaseeffectiveness factor=
1+ Da

Overall Effectiveness Factor=Internal Effectiveness FactorInterphase Effectiveness Factor

 APPENDIX D
External Transport Calculations

Fluid Properties Unit Value

Density () kg/m3 6.09082
Viscosity () Pa-s 4.05E-05
Specific Heat Capacity
(Cp) kJ/kg K 2.3751
Themal Conductivity (k) W/ mK 0.047262854
Mass Diffusivity () m2/s 8.29406E-06
Thermal Diffusivity
(k/Cp) m2/s 0.003267099

Catalyst
Unit Value
Properties
2.15249372
Surface area, at ft^2/lb 6
pore volume cm3/g 0.42
pore diameter nm 5.1
Dispersion % 5.4
particle
diameter m 0.0075
Void fraction - 0.55
58.0573120
Bulk density lb/ft^3 7
Bed surface
area ft-1 124.968

Other Properties Unit Value Calculation

Equivalent 0.2952755 0.0075 m100/2.54
in
Diameter, dp 91
Inlet velocity, v ft/hr 1500
kg
lb/hr.ft^ 570.37270 1500 ft /hr
Mass Velocity, G m3
2 57 6.09082
16.018
Reynold's Number, 11.936894 = 0.295275591in/12^2* 570.3727057/(
Re 46 4.05E-05/0.001* 2.4191)
0.3035344 =0.458/0.55*Re^-0.407
Jd
63
= (4.05E-05 Pa-s/0.001* 2.4191)/( 6.09082
0.8017249
Schmidt Number, Sc kg/m3 /16.018)/( 8.29406E-06
8
m2/s*3600/0.3048^2)
ft^3/hr.l 1135.5969 = 0.303534463* 570.3727057*
kmam
b 49 2.152493726/ 0.80172498^(2/3)/(
 6.09082/16.018)

Equations:

=d pG/

I. Isothermal Iteration

Flowrate Mole
Feed (lbmol/hr) Fraction P,b (bar) P,b (kPa)
5.98072183
Methane 1213.507 0.199357394 2 598.0721832
24.0192781
Steam 4873.586 0.800642606 7 2401.927817
Total 6087.093 1 30 3000
II. Non-Isothermal

kg
10004.05105
c m
3
Pr= p =2.3751 =2.035356899
kf 0.047262854
Btu
H rxn=88478.07395
lbmol
 APPENDIX E
Fixed Bed Reactor Design and Parametric Studies