DATA AND EQUATION

Ideal Gas constant:

kPa dm3
mol K
dm3 atm
R 0.082
mol K
m3 atm
R 0.082
kmol K

ft 3 atm
R 0.73
lb molo R
Btu
R 1.987
lb molo R
cal
R 1.987
mol K

R 8.314

Volume change with conversion:

P T
V V0 0 1 X
P T0

P T
v v0 0 1 X
P T0

Arrhenius equation:
k A (T ) Ae

RT

Numerical Integration of Integrals

1. Trapezoid rules
X1

h
f X dX 2 f X f X
0

where h X1 X 0

X0

2. Simpsons one-third rule (three point)

X2

h
f X dX 3 f X 4 f X f X
0

where h

X0

X2 X0
2

3. Simpsons three-eighths rule(four point)

X3

3
f X dX 8 h f X 3 f X 3 f X f X
0

X0

Internal

where h

X3 X0
3

4. Five point quadrature formula

X3

h
f X dX 3 f X 4 f X 2 f X 4 f X f X
0

X0

Useful integrals in reactor design

dX
1
ln
1 X
1 X
dX

1 X
0

X
1 X

dX
1
ln 1 X
1 X

1 X dX 1 ln
1 X

1 X dX 1 X

1 X
0

1 X 2 dX
0 1 X 2
X

dX

1 X

1
X
1 X
ln

1
1 X

2 1 ln 1 X

MX

1 X M X M 1 ln M 1 X
0

Internal

1 X
X

1 X

M 1

where h

X3 X0
3