LECT 3: GOVERNING

EQUATIONS
Prof. Ir. Dr. Mohd Sobri Takriff & Dr. Nur Tantiyani Ali Othman
Department of Chemical and Process Engineering
Universiti Kebangsaan Malaysia
 FUNDAMENTAL LAWS
1. Conservation of Mass
• Equation of Continuity / Mass transfer
2. Conservation of Energy
• Equation of Energy / Heat transfer
3. Momentum balance
• Equation of Motions
Navier-Stokes Equation
Euler Equation
4. Equation of State
5. Thermodynamics equilibrium
 SYSTEM & CONTROL VOLUME
• General balance equation for any system or control
volume

rate of changes 
  = {rate in} − {rate out} + {rate of generation}
 within a system
CHEESE CAKE BALANCE
 GENERAL MASS BALANCE

rate of mass 
  rate of  rate of  rate of mass
changes within  =  − + 
 a system  mass in  mass out   generation 
 

dm system • • •
= m in − m out + m generation
dt

dm system
• Steady state condition =0
dt
 (1) EQUATION OF CONTINUITY
• Mass balance around a control volume ∆x∆y∆z

(ρvx) x (ρvx) x+∆x

∆y
∆z
∆x

rate of  rate of 
rate of     
  = mass  − mass 
accumulation  entering system leaving system
   
 EQUATION OF CONTINUITY
∂ρ
Rate of accumulation ∆x∆y∆x
∂t

Mass entering the system at position x ∆y∆z ( ρv x ) x

Mass leaving the system at position x + ∆x ∆y∆z ( ρv x ) x + ∆x

Mass entering the system at position y ∆x ∆z (ρv y ) y

Mass leaving the system at position y + ∆y ∆x ∆z (ρv y ) y + ∆y

Mass entering the system at position z ∆y∆x( ρv z ) z

Mass leaving the system at position z + ∆z ∆y∆x( ρv z ) z + ∆z

 EQUATION OF CONTINUITY
• Substitution into the mass balance equation

∆x∆y∆z
∂ρ
∂t
[
= ∆y∆z (ρv x ) x − (ρv x ) x + ∆x
]+ ∆x∆z [(ρv )
y y
− (ρv y ) y + ∆y
]
[
+ ∆x∆y (ρv z ) z − (ρvz ) z + ∆z
]
• Division by ∆x∆y∆z, applying limits ∆x→0, ∆y→0 and
∆z→0 and based on the definition of a derivatives

∂ρ ∂ ∂ ∂ 
= −  ( ρvx ) + (ρv y ) + (ρvzx )
∂t  ∂x ∂y ∂z 
EQUATION OF CONTINUITY
 (2) EQUATION OF MOTION
• General momentum balance on a stationary
control volume ∆x∆y∆z
z

(x,y,z)

rate of  rate of  rate of  summation 

       
 momentum =
  momentum −
  momentum +
 of all 
accumulation  entering system leaving system forces 
       
 EQUATION OF MOTION
• Substituting these elements into the general
momentum balance equation, followed by division
by ∆x∆y∆z and then taking the limit of ∆x→0,
∆y→0, results in the equation of motion
∂  ∂ (v x ρ ) ∂ ( v ρ ) ∂ ( v ρ ) 
(ρv x ) = − v x + vy x
+ vz x 

∂t  ∂ x ∂ y y ∂ z x 

 ∂ ∂ ∂  ∂P
−  τ xx + τ yx + τ zx  − + ρg x
∂x ∂y ∂ z  ∂x
 EQUATION OF MOTION
For y dan z componenets :
∂  ∂ ∂ ∂ 
(ρv y ) = − v x ρ v y + v y ρ v y + v z ρ v y 
∂t  ∂x ∂y ∂z 
 ∂ ∂ ∂  ∂P
−  τ x y + τ y y + τ z y  − + ρg y
∂x ∂y ∂ z  ∂y

∂  ∂ ∂ ∂ 
(ρv z ) = − v x ρ v z + v y ρ v z + v z ρ v z 
∂t  ∂x ∂y ∂z 
 ∂ ∂ ∂  ∂P
−  τ xz +
 τ y z + τ z z  − + ρg z
∂x ∂y ∂ z  ∂z
 EQN. OF MOTION
Assuming : Constant density & viscosity

Component x
 ∂ ∂v ) ∂ ( v ) ∂ ( v ) 
ρ  (v x ) + v x x
+ vy x
+ vz x 
 ∂t ∂ x ∂ y ∂ z 
 y x 
 ∂ 2v 2 2  ∂P
∂ v ∂ vz
=µ  x
+
y
+ − + ρg x
 ∂x 2
∂ y 2
∂ z 2  ∂x
 
 EQN. OF MOTION (NAVIER-STOKE)
Component y
 ∂ ∂v y ) ∂(v y ) ∂(v y ) 
ρ 
 ∂t
(vx ) + vx + vy + vz 
 ∂x ∂y y ∂ z x 
 ∂ 2v 2  ∂P
∂ v y ∂ 2vz
=µ  x
+ + − + ρg x
 ∂ x2 ∂ y 2
∂ z 2  ∂x
 
Component z
 ∂ ∂v z ) ∂(v z ) ∂ ( v z ) 
ρ  (v ) + v x
 ∂t x
+ vy + vz

 ∂ x ∂ y y ∂ z x 
 ∂ 2v 2 2  ∂P
∂ v ∂ vz
= µ −
x y
+ + + ρg x
 ∂ x2 ∂ y 2
∂ z 2  ∂x
 
 EQN. OF MOTION (EULER)
Assuming : Viscosity, µ~0
Component x
 ∂ ∂v ) ∂ ( v ) ∂ ( v ) 
ρ  (v x ) + v x x + v y x
+ vz x 
 ∂t ∂ x ∂ y ∂ z 
 y x 
∂P
=− + ρg x
∂x
EQN. OF MOTION
EQN. OF MOTION
(3) EQN. OF ENERGY
 Example 1
• Heat and mass balance for a simple system

The reaction: The forward reaction is 1.5th order in A and the reverse
reaction is 1st order in B
2A ↔ B
Heat is generated at the rate of G per unit volume
 (4) EQUATION OF STATE
• Equation of state is an algebraic equation
which is used to fit PVT data (pressure,
volume, temperature)
• Equations of state are useful in as a tool in
predicting the behavior of a fluid from PVT
information
• Used of Equation of State
– Properties prediction
• E.g. density, viscosity. enthalpy, equilibrium, etc.
 (4) EQUATION OF STATE
• PV relation at different temperatures, T
80

70

60
V(m3/kg)

50

40

30

20
0 0.2 0.4 0.6 0.8 1
P(bar)
 (4) EQUATION OF STATE
• Ideal gas law ~ the simplest equation of
state
PV = nRT
 (4) EQUATION OF STATE
 The Van der Waals equation of state is one of
the best known equations of state
RT a
P= − 2
v−b v
a
v2 accounts for attractive forces of between
molecules
RT
v−b
represents the repulsive interaction between
molecules
 (4) EQUATION OF STATE
• Parameter b represent a correction for the
volume occupied by the molecules
themselves or the repulsive forces between
molecules.
• Can be evaluated in terms of the critical
temperature and pressure
2
27 R Tc
2
RTc
a= b=
64Pc 8Pc
 (4) EQUATION OF STATE
• Soave-Redlich Kwong (SRK) EOS

RT a (T )
P= −
v − b v(v + b) )
 (4) EQUATION OF STATE
• Peng-Robinson EOS
RT a (T )
P= − 2 2
v − b v + 2bv − b

where RTc
b = 0.07780
Pc
2
R 2 Tc
a (Tc ) = 0.45724
Pc
 (4) EQUATION OF STATE
• Compressibility factor
PV
Z=
RT
where
Z = Z(Tr , Pr ; Zc )

f (P, v, T; Tc , Pc , Zc ) = 0

( ) ( )
Z3 + (B − 1)Z 2 + A − 3B2 − 2B Z + B3 + B2 − AB = 0
 Example No. 2
• Determine the density of methane at
T=30 oC and Pressure P=1.0 bar using
Peng-Robinson Equation of State.
 Example No 2
• For methane
– MW16.04 kg/kgmol
– Tc 191.1 K
– Pc 42 bar
–ω 0.011
By using these equations
(1) Tr =
T 303.15K (2) P = P = 1barK = 0.0238
= = 1.5863 r
Tc 191.1K Pc 42barK
 Example No 2
(3) κ = 0.37464 + 1.54226ω − 0.26992ω2

κ = 0.37464 + 1.542260.011 − 0.26992(0.011) = 0.3916

2

(4) A = 0.45724
Tr
Pr
2
[1 + κ(1 − T )]
r
1
2
2

2
0.0238   1
2   = 0.0035
A = 0.45724 2 
1 + 0 . 3916 1 − 1. 5863 
1.5863r   

Pr
(5) B = 0.07780
Tr
0.0238
B = 0.07780 = 0.0012
1.5863
 Example No 2
Put the value from equations (1) – (5) to equation (6)
(6) ( ) (
Z3 + (B − 1)Z 2 + A − 3B2 − 2B Z + B3 + B2 − AB = 0 )
( ) ( )
Z 3 (0.0012 − 1)Z 2 0.0035 − 3(0.0012 ) 2(0.0012 ) Z + (0.0012 ) (0.0012 ) − (0.0012(0.0035)) = 0
2 3 2

The value of Z are Roots

0.9977
0.0006 + 0.0015i
0.0006 - 0.0015i
use Z=0.9977
 Example No 2
Then, put the value of Z=0.9977 to equation (7)
PV
(7) Z=
RT
ZRT 0.9977 * 8314 * 303.15
v= = = 25.14
P 100000

MW 16.04
ρ= = = 0.6379
v 25.14

value form HYSIS (0.6378 )

 Example No 3
• Heat and mass balance for gas reaction system
 Example No 3
By using equations (1) – (8), solve the mass and heat
balance for example 3…
dρ
(1) V = ρ 0 F0 − ρF
dt
dC A
(2) V
1.5
= F0 C A 0 − FC A − Vk 1C A + 2Vk 2 C B
dt
 (P − P0 ) 
(3) F = Cv  
 ρ 

pM [yM A + (1 − y)M B ]P
(4) ρ= =
ZRT ZRT

CA =
yP
(7) C B =
(1 − y )P
(6)
RT RT

dT •
(8) VρC p = F0 C p T0 − FC p T + V G
dt