Introduction to Chemical Reaction Engineering

Lecture 2 General Mole Balance for Ideal Reactors

Lecture 2 Plan
General mole balance equation for ideal reactors Assumptions used in ideal reactors Design equations for ideal reactors

Learning outcomes: Describe the assumptions used in ideal reactors Derive the general mole balance equation Apply the general mole balance equation to the 3 most common types of reactor

General Mole Balance for Ideal Reactors

In Out + Generation = Accumulation

Rate of Rate of generation Rate of Rate of flow of j in flow of j out + of j by chemical = accumulation of j (moles/time) (moles/time) reaction (moles/time) (moles/time)
nj0 nj + Gj =

dN j dt

nj is the number of moles of species j

If all the system variables (e.g. temperature, concentration) are spatially uniform throughout the volume then G is the product of reaction volume, V, and the rate of formation of j, rj: Gj = rjV

moles moles .volume = time time.volume

Determine the time (batch) or reactor volume (flow reactor) to convert a specified amount of reactants into products.

nj0 V

nj

Reaction rate
Reaction rate, rj: moles of j appearing (or formed) because of the reaction per unit volume of reacting mixture per unit time (molj/m3 s) If j is reacting (disappearing), rate is ve (i.e. = -rj) If j is product (appearing), rate is +ve (i.e. = rj)

Several sign conventions take care!

Rate Equation (or Rate Law)

The rate equation is independent of the type of reactor (e.g. batch or continuous flow) in which the reaction is carried out. A products May be a linear function of concentration: -rA = kCA -rA = kCA2

or it may be some other algebraic function of concentration: or

k1C A rA = 1+ k 2C A
The concentration dependence must be determined from experimental observation

Batch Reactors
Assume: Well-mixed Often assume constant V and
V

constant P All reactants in at t=0 and out at t=t

NA moles of A

Batch Reactors

Apply Mole Balance:

No inflow or outflow

nj0

nj

r jV =
For constant V

dN j dt

1 dN j rj = V dt

d (N j /V ) dt

dC j dt

Consider
NA0

NB NA NA1 NB1

t1

t1

Mole-time trajectories

dN A rAV = dt

Rearranging:

dN A dt = rAV

Integrating with limits at t = 0, NA = NA0 and t = t1, NA = NA1

t1 =

dN A rV N A0 A

N A1

Substitute the rate law into previous equation:

-rA -rAV

= = = =

kCA kCAV k(NA/V)V kNA

NA 0

(1st-order)

So:

dN A t1 = kN A NA1

1 N A0 t1 = ln k N A1

CSTR
nA0 CA0

T0 (m3/s)
V

Exit representative of contents nA CA

CA

T (m3/s)

Assume: Continuous supply of feed and product removal Well-mixed Steady-state reaction rate the same everywhere and time independent. concentration the same everywhere so exit point the same

Design equation for CSTR

Apply the mole balance with

dN j dt
So nj0 -

=0

(steady state)

nj

rjV

V =

n j0 n j rj

This is the reactor volume required to reduce the entering flow rate, nj0 to nj when species j is disappearing at a rate, -rj.

Molar flow rate: Cj.

nj

= volumetric flow

moles moles volume = time volume time

Combining:

V =

0 C j 0 C j
rj

Plug Flow Reactor (PFR)

reactants products

Assumes: Plug flow no radial variations in velocity, concentration or temperature (flat velocity profile) Steady state Continuous supply of feed and product removed

Consider the mole balance on j in a differential segment of reactor volume V nj|V nj

nj0

nj|V+V

V+V

Mole balance in a differential segment/volume V: In nj|V out nj|V+V + + generation rjV = = accumulation 0

Divide by V:

n j|V + V n j|V V

= rj

In the limit V 0

dn j dV

= rj

Consider

AB nA0 nA nA1

V1

What is the reactor volume V1 necessary to reduce nA0 to nA?

dV =

dn A rA

Integrating with limits at V = 0, then nA = nA0 and V = V1, nA = nA1

dn A V1 = = rA nA0

n A1

nA0

dn A rA n A1

For a 1st order reaction, -rA = kCA Also nA = CA

dn A = V1 = kC A k n A1
nA0

nA0

dn A nA n A1

n A0 C A0 = ln V1 = ln k nA k C A

Design equations for ideal reactors

Batch reactor

r jV =

dN j dt

Continuously stirred tank reactor (CSTR)

V =

0 C j 0 C j
rj

Plug flow reactor (PFR)

dV =

dn j rj

Derived from mole balance