Chemical Engineer

RECYCLE

M P P M

MECHANICAL MECHANICAL
TREATMENT TREATMENT
PHYSICAL PHYSICAL
TREATMENT TREATMENT
CHEMICAL
REACTION
INTRO - 1
 REACTOR TO BE DESIGNED

REACTOR MODEL DESCRIBING PERFORMANCE

Design/Model
CALCULATION OF PERFORMANCE
BASED ON MODEL

NO CALCULATED PERFORMANCE
MORE OR LESS REAL PERF. ?
COMPARE WITH EXISTING
REACTORS OF THE SAME TYPE

YES
END

INTRO - 2
CALCULATION OF PERFORMANCE
BASED ON MODEL

CAN BE SPLITTED UP INTO:

MOLAR
ENERGY BALANCES
IMPULSE PERFORMANCE
OF MODEL
CONCERNING
THERMODYNAMICS
CONCENTRATION
TEMPERATURE
KINETICS PRESSURE DROP

INTRO - 2a
MOLAR
ENERGY BALANCES
IMPULSE

CONSIST OF:

OVER WHICH PART OF THE REACTOR

THE ..... BALANCE HAS TO BE SET UP?

GENERAL SET UP OF THE BALANCE

ACTUAL SET UP =
FILLING UP THE GENERAL TERMS

INTRO - 2b
OVER WHICH PART OF THE REACTOR THE .....BALANCE HAS TO BE SET UP?

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TUBE S styreen
TUBE S

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INTRO - 2c
 GENERAL SET UP OF THE BALANCE

SET UP FOR ALL BALANCES:

ACCUMULATION = IN - OUT - CONSUMPTION + GENERATION

UNITS:
[MOLAR BALANCE] = [kmol/ unit time]
[ENERGY BALANCE] = [Joule/ unit time]
[IMPULSE] = [kg.m.s-1/unit time]

INTRO - 2d
 FILLING UP THE GENERAL TERMS

IN TRANSPORT
CONV. = - PRODUCTION
OUT TERMS

THERE ARE THREE POSSIBLE WAYS OF TRANSP. THERMODYNAMICS

CONVECTION KINETICS

CONDUCTION
ACCUMULATION
TRANSFER
CHANGE OF :
MOLAR MASS CONTENT
HEAT CAPACITY PER
IMPULSE CONTENT UNIT TIME

INTRO - 2e
 THREE POSSIBLE WAYS OF TRANSPORT

CONVECTION
MOLAR φmolA = φυC A
T
HEAT φheat = φmolA ∫ CP ⋅ dT
Ts

CONDUCTION
dC A
MOLAR φmolA = −A ⋅ D AB ⋅
dx
dT
HEAT φheat = −A ⋅ λ ⋅
dx

TRANSFER

MOLAR φmolA = A ⋅ k g ⋅ ∆C A or = A ⋅ k l ⋅ ∆C A
HEAT φheat = U ⋅ A ⋅ ∆T
INTRO - 2f
HEAT OF REACTION

Enthalpy [J/mol]

E
Reactants
-∆Hr

Products

∆HREACTION = ∆HPRODUCTS - ∆H REACTANTS

∆H = negative (-) by exothermic reaction

= positive (+) by endothermic reaction

INTRO - 3
 MOLE BALANCE OVER A CSTR

ACC = IN - OUT - CONV. + PROD.

dC
V A = CA 0φ v − C Aφv − (− rA )
dt CAO
dCA φV
V = φv ( CA0 − CA ) − (− rA )V
dt
AT STEADY STATE:
V
=τ=
( C A0 − CA )
φV
φv ( − rA ) CA

HOWEVER: THEREFORE:
C A 0X A
CA = CA0 (1 − X A ) τ=
( − rA )

INTRO - 4
 MOLE BALANCE OVER A PFR dV
CAO CA
ACC = IN - OUT - CONV. + PROD.
φV φV
φmol,A = C A φv V V + dV

dC A OVER the WHOLE

V = φ mol,A V − φ mol,A V+∆V − (− rA )∆ V
dt REACTOR:
AT STEADY STATE: V CA d ( CA )
φmol,A V +∆V − φmol,A V ∫0
dV = −φv ∫
CA 0 ( − r )
A
= −( − rA )
∆V V CA d ( C )
= τ = −∫ A
dφmol,A φv CA 0 ( − r )
⇒ = −( − rA ) A
dV THEREFORE:
d ( C A φv ) X A dX
⇒ dV = − ⇒ τ = C A0 ∫ A
( − rA ) 0 ( −rA )
INTRO - 5
 PERFORMANCE EQUATIONS

V CA0 ( XA ,OUT − X A,IN )

TANK (CSTR) =τ=
φv ( − rA )

V X A ,OUT dX
TUBE (PFR) = τ = C A0 ∫ A
φv X A , IN ( − r )
A

X A , END dX A
BATCH t = CA0 ∫
X A ,ST ART ( − r )(1 + ε X )
A A A

INTRO - 6
 SIZING OF REACTORS

CSTR
PFR

1 1
-rA τCSTR -rA
Area =
C A,0
τ PFR
Area =
C A,0

0 0.2 0.4 0.6 0.8 1.0 0 0.2 0.4 0.6 0.8 1.0
CONVERSION, X CONVERSION, X

INTRO - 7
 REACTORS in SERIES
CSTR1

CSTR2
PFR1 PFR2

1 1
-rA -rA PFR 1
CSTR 1

CSTR 2 PFR 2

0 0.2 0.4 0.6 0.8 1.0 0 0.2 0.4 0.6 0.8 1.0

CONVERSION, X CONVERSION, X

INTRO - 8
 REACTORS in SERIES
CSTR
INFINITE NO. OF
INFINITELY SMALL
CSTRs
PFR

1 1
-rA -rA
CSTR

PFR

0 0.2 0.4 0.6 0.8 1.0 0 0.2 0.4 0.6 0.8 1.0
CONVERSION, X CONVERSION, X

INTRO - 9