CHEMICAL ENGINEERING

MATHEMATICS I

REFERENCES
Richard G.Rice, Duong D.Do,Applied Mathematics and Modeling for chemical Engineers,
John Wiley,New York
Mickley, Reed, Sherwood,Applied Mathematics in Chemica Engineering,MsGraw-Hill
Jenson and Jeffrey,Mathematical Methods in Chemical Engineering,Academic Press

Course Outline
1. Mathematical Formulation of Physicochemical Problems
2. Analytical Series Solution of Ordinary Differential Equation
3. Analytical Solution of Partial Differential Equation
4. Bessel and Laplace Transform
5.Vector and matriks

MATHEMATICAL FORMULATION OF
PHYSICOCHEMICAL PROBLEMS

Objective: Students have capability to develop mathematical

formulation of Physicochemical problems and solve the
mathematical problems using known mathematical methods.

MATHEMATICAL FORMULATION
The mathematical treatment of engineering problems involves three basic
steps: the expression of the problem in mathematical language, the solution of
mathematical problems, and the interpretation of the results.
Physicochemical Problems
Assumption
Law
Mathematical Formulation

Solution of Mathematical Formulation

Conservation
Rate
Equilibrium
Analytical
Numerical

Interpretation

FUNDAMENTAL LAWS
There are three basic physical and chemical law, they are: Conservation law,
Rate expression, and Equilibrium relation.
CONSERVATION LAWS
Mass, Overall:
Rate of mass accumulation in system = Rate of mass in Rate of mass out
Mass, Component:
Rate of mass accumulation of component i in system = Rate of mass of
Component i in Rate of mass of component i out +Rate of mass generation
of Component i
Energy
Rate of Energy Accumulation = Rate of Energy in Rate of Energy out +
Rate of Energy Generation
Momentum
Rate of Momentum Accumulation = Rate of Momentum in Rate of Momentum
Out + Rate of Momentum Generation
Body Force

Surface Force

FUNDAMENTAL LAWS
RATE EXPRESSION
Heat Transfer

T
x
Convection (Interface Transport) q hA (Ts Tf )
Conduction

q x kA

Mass Transfer
Diffusion :

N Ax D A S

C A
x

N A k C S(C AS C Ab )

Convection (Interface Transport):

Momentum Transfer
Molecular (Newtonian) :
Interface Transport

xy

U y
x

K.f

Chemical Reaction

aA bB cC

rA kC A C B

FUNDAMENTAL LAWS
EQUILIBRIUM RELATION
Phase Equilibrium : Vapor-liquid ------- Raoult Law
Liquid-liquid
Gas/vapor-solid
Liquid-solid
Chemical Equilibrium

aA bB cC
C cC
K a b
CACB

LUMP PARAMETER AND DISTRIBUTED

PARAMETER MODELS
Mathematical models can be classified into two distinct types: Lump parameter and
Distributed parameter models. The first type is characterized by the uniformity of the
parameter value in the system such as mixed flow reactor, while the second type is
characterized by the variability of the variable/parameter value in the system such
as plug flow reactor. The distributed parameter model is usually called Transport
Phenomena models, because it involves the phenomena of heat, mass or
momentum transport. For the distributed parameter models, we have to consider
more specifically on the boundary condition of the system.

GENERAL TYPE OF BOUNDRY

CONDITION
HEAT TRANSFER
1. The temperature at a surface may be specified
2. The heat flux at a surface may be given, e.g. q=qo. When a surface is assumed
completely isolated, then the heat flux at that surface is equal to zero.
3. At solid-fluid interface the heat flux may related to the difference between the
temperature at the interface and that in the fluid, thus

q h T Tfluid

h=heat transfer coefficient

4. At solid-solid interface, the continuity of temperature and the normal

component of the heat flux may be specified.
5. At plane, axes or point of symmetry, the heat flux is equal to zero, except
the symmetry is treated as the heat source.

GENERAL TYPE OF BOUNDRY

CONDITION
MASS TRANSPORT
1. The concentration at a surface can be specified.
2. The mass flux at a surface can be specified.
3. If diffusion is occurring in a solid, it may happen that at the solid surface
substance A is lost to a surrounding fluid stream according to the relation,

N A0 k c C A0 C Af

kc = mass transfer coefficient

4. The rate of chemical reaction at the surface can be specified. For example,
if a substance A disappears at a surface by a first-order chemical reaction,

N A0 k1"C A
5. At the plane, axes, or point of symmetry the mass flux is equal to zero.

GENERAL TYPE OF BOUNDRY

CONDITION
MOMENTUM TRANSPORT
1. At solid-fluid interfaces the fluid velocity equals the velocity with which the
surface itself is moving.
2. At liquid-gas interface, the momentum flux (hence the velocity gradient)
is equal to zero.
3. At liquid-liquid interfaces the momentum flux perpendicular to the interface,
and the velocity, are continuous across the interface.
4. At the plane, axes, or point of symmetry the momentum flux is equal to zero.

Gas-liquid interface
liquid

Solid-Liquid interface

GENERAL STEPS
1. Draw the sketch of the system to be modeled and label/define the various
geometric, physical and chemical quantities.
2. Carefully select the important variables, and list the parameters that are expected
to be important
3. Establish a control volume for a differential or finite element of the system to
be modeled.
4. Write the conservation law on the control volume and use the necessary rate
expression and equilibrium relation to derive equations describing the system.
5. Write boundary and initial condition
6. Solve the equations
7. Interpret the solution

ILLUSTRATIVE EXAMPLES (1)

Two tanks each contains 100 liters salt solution (20 gr/lit). A stream of water is fed
into the first tank at a rate of 5 liters/min. The liquid flows from the tank to the
second tank at a rate of 8 liters/min. The liquid flows from the second tank at a rate
of 8 liters/min where part of it (3 liters/min) is directed to the first tank and the
balance flows to some points out of the system. Determine the salt concentration
(gr/lit) in the first and second tank as a function of time. Assume is constant in all
streams.
SOLUTION
5 lt/min

8 lt/min

5 lt/min

ILLUSTRATIVE EXAMPLES (1)

Tank I:
Consevation of mass (overall)
d
V 5 3 8 0
dt
dV1

0
V1= const = 100
dt

Conservation of mass (salt)

d
V1C1 5,0 3C2 8C1
dt

100

dC1
3C 2 8C1
dt

(1)

Tank II
Consevation of mass (overall)
d
V2 8 8 0
dt
dV2
0
dt

V2 = const = 100

Conservation of mass (salt)

d
V2 C 2 8C1 8C 2
dt
100

dC 2
8C1 8C 2
dt

C1 C 2 12.5

dC 2
dt

(2)

ILLUSTRATIVE EXAMPLES (1)

Initial Condition:

t=0

C1=20,

Eq (2) is differentiated with respected to t:

dC1 dC 2
d 2C2

12.5 2
dt
dt
dt

(3)

C2=20

C2 = 20 = K1 + K2

dC 2
d 2C2
dC
100
1250 2 3C 2 8C 2 100 2
dt
dt
dt
d 2C2
dC
250 2 40 2 C2 0
dt
dt

; m2 = - 0.129

C 2 K 1e 0.031t K 2 e 0.129 t

Initial Condition:
t=0

Eq. (2) is substituted into Eq. (1):

m1 = - 0.031

C2 = 20

0 = - 0.031 K1 0.129 K2

dC 2
0
dt

K1 = 26.33
K2 = - 6.33

C 2 26.3261e 0.31t 6.33e 0.129t

:
(4)

(5)
dC 2
0.031K 1e 0.031t 0.129 K 2 e 0.129t
dt

C1 16.125e 0.031t 3.875e 0.129t

 Sebuah tangki berisi 4m3 air. Brine

mengandung garam 50 kg/m 3 dimasukan
ke dalam tangki dengan laju alir 0,10
m3/detik. larutan yang keluar dari tangki
memiliki laju alir 0,05 m3/detik. jika tangki
teraduk sempurna berapa konsentrasi
garam pada tangki jika tangki berisi 10 m 3
brine

 jacketed vessel memiliki luas pemanasan

sebesar A m3 dipanaskan dengan
menggunakan steam pada Ts oC,
vessel/bejana tersebut berisi M kg liquid
dengan kapasitas panas Cp = C,
Joule/kgoC. pada To oC.
jika harga koefisien panas overall (U) watt/
(m2oC). tentuan temperatur liquid di dalam
bejana sebagai fungsi waktu

ILLUSTRATIVE EXAMPLES (8)

A copper fin L ft long is rectangular in cross section. It is W
ft thick and B ft wide. The base of this metal is maintained
at a constant temperature TB and the fin loses heat by
convection to the surrounding air which is at a temperature
To. The surface coefficient of heat transfer is h Btu/hr (ft2
o
F).
Determine the temperature distribution in the fin?
Derive the formula to estimate heat losses from the fin to
the surrounding air!

ILLUSTRATIVE EXAMPLES (8)

Solution:
Accumulation = Input output
x

qx

qx

0 q x x q x

x+x

x x x

x x

2hBx (T To )

q x

2hBx (T To )

for x 0

d
hBW dT 2hB(T To )
0
dx
dx

d T 2h

(T To )
2
kW
dx

= T-To

dq x
0
2hB(T To )
dx

d 2 2h

0
2
kW
dx

ILLUSTRATIVE EXAMPLES (8)

d 2h

0
2
kW
dx
2

General Solution

2h
kW

Ke x Ke x

BC 1:

x = 0 T = TB = TB To
BC 2:
x=L

d
0
dx

TB -To = K1 + K2

d
K 1 e x K 2 e x
dx

0 K 1 e L K 2 e L

TB To
2 L
T

K
e
K2
K1
B
o
1
1
2 L
1 e
TB To x
TB To x
TB To

e TB To
e
K 2 TB To
2 L
2 L
2 L
1 e
1 e

1 e

TB To e x e ( 2 L x )
1 e 2 L

K 1 e 2 L

ILLUSTRATIVE EXAMPLES (8)

b) Heat transfer rate
L

dq x 2hBdx (T To )
0

q x 2hB (T To )dx
0

2hB(TB To ) L x
( 2 L x )

e
dx

2 L
1 e
0

2hB(TB To ) 1 x
1 x
2 L

xe

e
2 L

1 e

2hB(TB To ) 1 L
1 L 1
1
2 L

Le

2 L

1 e

2hB(TB To ) 1 L
L
2 L

qx
e e
Le
2 L
1 e