Some possibly useful equations:

( )
( )
( ) ( )
( )
x
x
x x
x
dx x
x

+
+ + + =

+
}
1
1
1 1 2
1
1
2
2
0
2
2
c
c c c
c
ln


}

=
=
X
A
A
A
A
V r
dX
N t
V r
dt
dN
0
0


( )
exit A
A
A A A
r
X F
V
X F F F

=
=
0
0 0


}
}

=
=
X
A
A
F
F A
A
A
A
r
dX
F V
r
dF
V
dV
dF
r
A
A
0
0
0




d
r
c
r
b
r
a
r
D C B A
= = =

( ) ( )
|
|
.
|

\
|

=
=
T T R
H
C C
B
B
C
Rx
e T K T K
k
k
K
1 1
0
0


( )
RT E
Ae
T
k
/
=

D
a
d
C
a
c
B
a
b
A + = +

|
.
|

\
|
+ = 1
a
b
a
d
a
c
o


( )
X N N N
X C
V
N
C
A T T
j j A
j
j
0 0
0
o
u
+ =
+ O = =

( )
P
P
T
T
X V V
0
0
0
1 c + =
( )
( )
( )
0
0
0
0
0
0
0
0
0
0
0
0
0
0 0 0
1
1
1
P
P
T
T
F
F
C C
T
T
P
P
X
C C
T
T
P
P
X
X
C
v
F
C
T
T
P
P
X v v
y
X F F F X F F
T
j
T j
I
A I
j j
A
j
j
A
A T T j j A j
=
+
O
=
+
+ O
= =
+ =
=
+ = + O =
c
c
u
c
o c
o u

0
v
V
= t
0
0
A
A
F
V r
Da

=
1
1
1 Da
Da
X
+
=
( ) ( )
n n
k Da
X
t +
=
+
=
1
1
1
1
1
1
1

2
2
2
2
4 1 2 1
Da
Da Da
X
+ +
=
2
2
1 Da
Da
X
+
=
( ) ( )
( )
X
X
X X Da

+
+ + + =
1
1
1 1 2
2
2
2
c
c c c ln
( )
)
`

+
=
+
t
t
t
t
k
A
A
e
k
C
C
1
0
1
1

k
t
S
t
t
+
=
1
6 4.
A A
A
C k
dt
dC
ln ln ln o + = |
.
|

\
|

}
=
n
x
x
n
dx
dx
dy
y y
1
1

( )
| |
( ) ( ) ( )
| |
N A N A N A
t
A
i A i A
t
A
A A A
t
A
C C C
t dt
dC
C C
t dt
dC
t
C C C
dt
dC
N
i
3 4
2
1
2
1
2
4 3
1 2
1 1
2 1 0
0
+
A
= |
.
|

\
|

A
= |
.
|

\
|
A
+
= |
.
|

\
|

+
=
) (

( )

=
N
i
ic im
K N
r r
K N
s
1
2
2
2
o
( )
( ) 1
1
1
1
1
0
1

o
o
o
n
C k
t
A
n /


( )( )
( )
M
t cat
S
K S
S E k
r
+
=
( )
( )
( )
( ) S
r
K V r
V
K
S
V r
S
S V
K
V r
S
M S
M
S
M
S

=
+ =

+ =

max
max max
max max
1
1 1 1


( )
( ) ( ) | | 0
0
0
0 0
= A + A
O +

R P R Rx A
i Pi i A S
T T C T H X F
T T C F W Q



( ) | |

O + A
A O + A
=
Pi i P
R Rx i Pi i R P
C C X
T H X T C T C X
T
0
0

( ) ( )
( ) X C C F
H r T T Ua
dV
dT
P Pi i A
Rx A a
A + O
A +
=
0

( )
Pc c
a a
C m
T T Ua
dV
dT

=
( )
Pc c
a a
C m
T T Ua
dV
dT

=
( ) ( )
( ) ( )
R P R Rx
i Pi i A a
EB
T T C T H
T T C F T T UA
X
A + A
O +
=

0
0 0
/


( )( )
( )
( )
0 0
0
0
0 0
0
3
0
3
75 1
1 150 1
75 1
1 150 1
1
T
T
T
T
p p c
p p c
A A
t A A
S A
F PT
TF P
dz
dP
F PT
TF P
G
D D g
G
dz
dP
G
D D g
G
dz
dP
P K
C P K
C
|
|
|
|

|
|
|

=
(
(

|
|
.
|

\
|
=
(
(

|
|
.
|

\
|
=
=
+
=
-
.
.
group adsorption
group force - driving factor kinetic
Rate

( )
( )
( )
( ) ( ) ( )
( ) | | ( ) ( )
( )

1 n 0.5

...
........
s
A d d
T T R
E nE E
n
C
C
C
np p p
C
B A d d
B A A
x
x A
A
A
c c
p p c
U
W
t
E E n k
e
t
At C
C
a
e a
t A C
a
C C h T k t a p
dt
da
r
C C f T k t a r
r
dX
F
W
P
z
P
P
P A
X
P P
P
T
T
dW
dP
G
D D g
G
d A A
C
A
A
=
+

=
< < =
+
=
=
+
=
+
=
= =
= '
'
=
|
|
.
|

\
|
=

=
+ =
(
(

|
|
.
|

\
|
=
(
(

|
|
.
|

\
|

}
1
1
1
1
1
1
1
1
2
1
1
2
1
2
75 1
1 150 1
0
1 1
2
0
2 1
0
0
0
0
0
0
0
0
3
0
0
0
1
2
1
o
|
|
|
o
c
o
|
|
|

|
o
, ,
, ,
/
.
/

( )
( )
( )
( ) ( )( )

+
A ' +
= = =

= =
+

=
=
|
|
.
|

\
|
=

i s
s
s
d
p i P s
Rx A a W s
s
p s
s P s
s
A
A
W
U
k
d A
s A
C F C U
H r T T a U
dW
dT
dW
dT
T T
C U
T T a h
dW
dT
T T
e Da
e Da
X
F
W kC
Da
e
k F
U kC
X
X
~
~
If
If

1
1
1
1
2
2
0
2
0
2
0
2
0


t k
t a
d
+
=
1
1
) (
} }
+
=

t
d
X
t k
dt
k
X
dX
0 0
1 1
( ) t k
k
k
X
d
d
+ =

1 ln
1
1
ln