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Lecture Notes For Che346
Lecture Notes For Che346
ENGINEERING I
CHE 346
2
COURSE OUTLINE
• IDEAL REACTORS
• ASSUMPTIONS (IDEAL VS. REAL)
• MATERIAL BALANCE / PERFORMANCE OR
DESIGN EQUATIONS
• COMPARISON OF IDEAL REACTORS
• NONISOTHERMAL OPERATION
• ENERGY BALANCE EQUATION
• APPLICATION TO DESIGN
OUTLINE: CONTD.
• REAL VERSUS IDEAL REACTORS
• SOURCE OF DEVIATIONS
• RESIDENCE TIME DSTRIBUTION
• RTD FUNCTIONS
• CONVERSIONS-1ST ORDER RXNS
• REACTOR MODELS
REQUIREMENTS FOR PASSING THE
COURSE
•ATTENTION IN CLASS
•RE-READ NOTES
2.Continuously(operated)
Stirred Tank Reactor (CSTR)
12
Batch Reactor (BR)2
• operates in unsteady mode with respect to
time at any position (u.t- unsteady wt time)
• operates in steady mode w.r.t space. No
variation from point to point because of
perfect mixing at any point in time (within
vessel) (s.s – steady space) @ any time comp
= same bt @ diff times, comp of reactor
content differs frm previous bt same all round
• Composition at any point in reactor changes
continuously w.r.t time (cos of conversion)
• 1st order reaction: CA=CA0e-kt
Changes in a Batch Reactor
• reactants are consumed and products
formed with reaction
• composition of mixture changes
continuously[reactants decrease and
products increase)
• at any given time there is no variation in
composition at different points in the
reactor because of perfect mixing inside
the reactor 15
CA VS t,
CA VS t,p Fig
• 1
17
Q2
The gas-phase reaction
A B+C
is carried out isothermally in a 20-dm 3 constant-volume batch reactor. Twenty moles of pure A is initially placed in the reactor. The reactor is
well mixed
(a) If the reaction is first order with a specific rate constant of 0.865 min -1
calculate the time necessary to reduce the number of moles of A in the reactor to 0.2 mol.
(Ans.: t = 5.3 min)
(b) If the reaction is second order with a specific rate constant of 2 dm 3/ mol.min, calculate the time necessary to consume 19.0 mol of A.
(c) If the temperature is 127"C, what is the initial total pressure?
What is the final total pressure assuming the reaction goes to completion?
Q3 Repeat Q2 assuming the reaction is in a constant-pressure batch reactor
Q4
The irreversible gas-phase nonelementary reaction
A+2B - - - -> C
is to be carried out isothermally in a constant-pressure batch reaction. The feed is at a temperature of 227 0C, a pressure of 1013 kPa,
and its composition is 33.3% A and 66.7% B. Laboratory data taken under identical conditions are as follows:
Calculate :
•The volume of the reaction mixture at x A=0
•The time required to attain 60% conversion
•The volume of the reaction mixture at x A=0.60
Advantages/Disadvantages of BR
• is simple,
• needs little supporting equipments,
• high flexibility-high conversions
through high reaction time as
desired
• ideal for small-scale experiments
(kinetics studies).
Advantages/Disadvantages of BR2
• single unit may be used for the
manufacture of relatively small
amounts of different material
(drugs, dyes, cosmetic articles)
• not a dedicated unit
• Disadvantages -idle periods (for
loading, unloading, cleaning, heating
etc).
Design equation of BR
• Obtained from the law of conservation of
matter.
• Written for any component in the system [
reactant, product, inert]
• Usually in terms of limiting reactant ,A
• Control volume is the whole volume of
reactor because of uniform conditions
within it
Control volume/element of
volume
• Reactions occur in a localized region of space
• Control volume or element of volume is
any region of space that has a finite volume
with boundaries that clearly separate the region
from the rest of the universe.
• real or abstract , macro sized
• Chosen according to the dictates of the
analysis that we are undertaking
22
Law of conservation of mass
• a
Balance after t>0
• Rate in=0 no inflow after charging
• Rate out=0 no outflow after charging
• Rate of disappearance by reaction=V(-rA)
• V(-rA)= vol x [mol/vol-time]=mol/time
• Rate of accumulation=dNA/dt
• t=reaction time
• V= volume of the reaction mixture
Substituting in equation:
0 -0 - V(-rA) = -
NA0dXA/dt
Integrating between from t=0, XA=0
X Ae
t X Ae
dX A dX A
dt N
0
A0
0
V( rA )
t NA0
0
V( rA )
For constant volume reaction mixture
X Ae
dX A
t CA 0
0
( rA )
26
Reaction time, t, is the performance
measure for a Batch Reactor
• Integral =area under the curve of 1/(-rA )
vs. XA.
• It may be evaluated:
1.Analytically
2.Graphically
3.Numerically( minimum of 5 points
considered sufficient) 27
f(x)
Graphical
1
2
3
t
CONTINUOUS STIRRED TANK REACTOR
(CSTR)
• feed mixture continuously enters and the outlet
mixture is continuously withdrawn. Hence
• ‘Continuous’ refers to the inflow and outflow of
materials. Hence Continuous flow stirred tank
reactor is a better name CFSTR
• CSTR also misses the essence of the idealization
completely
• ideality arises from assumption that the reactor is
perfectly mixed and hence homogeneous. Hence:
• Continuous perfectly mixed reactor(=CPMR) is an
even better name
• used alone or as part of a battery of CSTRs
31
CSTR: Homogeneous reaction
mixture, constant inflow &
outflow
Steady inflow
Steady outflow
32
33
CSTR contd2.
• mixing so perfect that concentration and
temperature are spatially uniform within
whole of reactor and
• correspond to those of the exit stream;
• operates in a steady mode w.r.t. time
– at all times, Ci is same at any point
• operates in a steady mode w.r.t. Space
– Ci is same at all points at any t
35
Design equation: CSTR
element of volume= whole reactor. Why?-
whole reactor forms a homogeneous
mixture
• Rate in=FA0
• Rate out=FAe
• Rate of disappearance by reaction = V(-rA)
• Rate of accumulation = 0 (steady state)
• FA0 - FAe- V(-rA)=0
CSTR contd.
•reactants continuously fed into the reactor
•products continuously drawn from reactor
• *
•Also called vat,
•backmix reactor,
•Mixed-flow reactor
•100% back mixing reactor
38
Term In Square Brackets
=area of the rectangle: 1/(-rAe) By XAe
• Rearranging to obtain the space time,
CA0/-rAe
CA0/-rA
xA xAe 39
40
VCSTR=[FA0/(-rA)] x XAe
Space time and space velocity
• τ = time required to process one reactor volume of feed
measured at specified conditions, usually feed conditions
• τ = V/vo = (reactor volume)/(volumetric feed rate
• =space time
• Space velocity=1/space time
• But feed and reaction mixture may be in different phases.
• gas hourly Space velocity=GHSV=
• = [volume of gaseous feed per hour]=/[volume of reactor]
• liquid hourly Space velocity=LHSV=
• =[volume of liquid feed per hour]/[volume of reactor]
• feed may enter as a liquid but react as a vapour -important
to state conditions 42
APPLICATION OF CSTR.
For continuous production
• WHEN INTENSE MIXING IS REQUIRED
• CAN BE USED ALONE OR AS part OF BATTERY of
CSTRs
• EASY TO MAINTAIN GOOD TEMPERATURE
CONTROL-perfect mixing
• CONVERSION OF REACTANT PER VOLUME IS
LOWEST OF THE FLOW REACTORS- large volume is
required
• USED FOR MOST LIQUID PHASE REACTIONS
43
Plug/Piston/ slug flow reactor [PFR]
Continuous Tubular Reactors (CTRs).
Plug flow Tubular Reactors (PFTR)
51
From : FA= FA0(1- XA)
Separating variables
Space time
Applications of PFR
• Large-scale reactions
• Homogeneous or heterogeneous reactions
• Continuous production
• Most gas phase reactions
• Relatively Easy to maintain(no moving parts)
• Highest conversion per volume
• Difficult to control temperature within the
reactor, hence hot spots for exothermic rxns
• As one long tube or as a tube bank 53
Actual residence time and space time
• THE actual time a fluid element resides in
the reactor will be equal to the space time
only if:
1. There is no change in the number of moles
during the reaction
2. There is no change in temperature along the
reactor
3. There is no change in pressure
Because: υ= vo(1+XAεA) [T /T0][P 0 /P]
Actual residence time: PFR
If the time to traverse an element of volume of
reactor dV at constant and pressure, is dtr
• then
• From differential form of the design equation
Q
The vapor-phase cracking of acetone to ketene and methane: CH3OCH3 → CH2O+ CH4
is first-order with respect to acetone and the specific reaction rate can be expressed by:
k=exp(34.34-34222/T) ; where k is in reciprocal seconds and T is in Kelvin.
In this design, it is desired to feed 2.5 g mol/min of acetone to a tubular reactor that is operated isothermally.
The feed of pure acetone enters at 1000 K and a pressure of 162 kPa. Assuming the same constant pressure
and temperature throughout the reactor, determine for 40% conversion of the acetone
• the space time ,
• space velocity and
• the actual residence time
• Explain any difference between the space tie and the actual residence time
PFR VS CSTR
• In a PFR, each and every molecule spends the same
amount of time in the reactor
• that period is equal to the residence time
• the concentration in each parcel of fluid entering the
reactor drops by the same amount.
• In contrast, in a CSTR there is no single amount of time
that each small parcel of fluid spends in the reactor.
• perfect mixing: some parcels may spend a long time
mixing around inside the CSTR
• others may, by chance, reach the exit in a relatively short
time. Since all these parcels are mixed together to result in
a single outlet concentration, an average value of
residence concentration results
57
Some comments about the ideal reactors
• Comparison can be made from the Levenspiel plots
• For the plots shown VCSTR > VPFR Why?
Comparison: CSTR vs. PFR
59
CSTR IN SERIES VS. SINGLE CSTR
V SINGLE CSTR >V TWO CSTR in series
Why?
FA0
1/-rA2
XA2
FA2
1/-rA1
V1 XA1
V2
FA1
60
PFR IN SERIES VS. SINGLE PFR
V SINGLE PFR =V TWO PFR in series
Order of Sequencing Reactors in series
•Performance depends on intermediate conversion
62
• As the number of equal-size CSTR in series is
increased
• the performance approaches that of a single PFR
of the same total volume
63
cost of using several smaller reactors, which will be
greater than the cost of a single larger reactor.
64
TEMPERATURE EFFECTS
• Heat capacity:
Energy/mole-K
• Enthalpy of i at T
•
Heat of Reaction /mole A:
• Heat of Reaction /mole A at temperature,T
• *
What is ΔCp?
δ=d+c-b-a
Ws
The statement of conservation of energy for
this system takes the form:
( rate of energy accumulation in system )
Outflow
• *
Into balance equation:
Expanding
Using mean specific heat and
expanding
• *
t=(1/0.01725)x(1/0.05x2.0-1/2.0)=551 min
2. What is the total amount of heat that must be removed?
in equation yields
• At steady state
• Hence
Increasing slope
EB
MB
• Solution
•
simplifying yields
0
X1 T1 T1/T0
X2 T2 T2/T0
X3 T3 T3/T0
Q1:The vapour-phase cracking of acetone to ketene and methane:
Solution:
Step1: XA=0
CP cCpC + bCpB-aCpA
J/mole-K kJ/mole-K
T=1400-XA[88.77+0.03328 x( 1400-298)]/[0.01339+0.03328XA]
=1400-125.44XA/[0.01339+0.03328XA]