TOPIC 6 Design for Multiple Reactions

Topic covers:
PART 1: week 8 Types of multiple reactions Selectivity and yield Parallel reactions PART 2: week 9 Series reactions

TOPIC 6 Design for Multiple Reactions

4 types of multiple reactions: 1) Parallel reactions 2) Series reactions

A k1 B A k 2 C

A B C
k1 k2

3) Complex reactions of parallel and series

A k1 B A k 2 C B C k 3 D

A k1 B C A C k 2 D
1

4) Independent reactions A k C
B k 2 D

TOPIC 6 Design for Multiple Reactions

Instantaneous Selectivity

Overall

Yield

Example:

desired product , rD=k1CA2CB undesired product , rU=k2CACB

To maximize the selectivity of D with respect to U run at high concentration of A and use PFR

TOPIC 6 Design for Multiple Reactions

Reaction rates for parallel reactions AB 2A C (-rA)=k1CA (-rA)=k2CA2 (-rA)nett = k1CA + k2CA2
kD A D

A U
kU

rA rD rU

TOPIC 6 Design for Multiple Reactions Selectivity in Parallel Reactions: Single Reactant Systems D kD D A D rD k DC A Desired Reaction:
Undesired Reaction:

U A U
kU

rU k UC U A

What is the selectivity ?

S DU

rD k DC A k D ( D U ) CA U rU kU kU C A

Let us examine some reactor operating scenarios to maximize selectivity.

TOPIC 6 Design for Multiple Reactions

Case 1: D-U >0

High CA favors D

rD k D ( D U ) SDU C A rU k U

How can we accomplish this?

For gas phase reactions, maintain high pressures For liquid-phase reactions, keep diluents to a minimum Batch or Plug Flow Reactors should be used. CSTR should NOT be chosen.

TOPIC 6 Design for Multiple Reactions

Case 2: D-U < 0

Low CA favors D

rD kD SDU rU k UC(AU D )

How can we accomplish this?

CA For gas phase reactions, operate at low pressures. 0 CA For liquid-phase reactions, CA dilute the feed For ga phase reaction, Reactant concentration inerts can play a role maintained at low level CSTR is the preferred

TOPIC 6 Design for Multiple Reactions Case 3: D-U = 0

Concentration has no effect on selectivity!

Then, how to maximize selectivity? By choosing the most suitable temperature.

S DU

rD k D AD exp [- ED / RT ] AD exp[ ( ED EU ) / RT ] rU kU AU exp [- EU / RT ] AU

(a) If ED > EU Operate reactor at the highest possible temperature (b) If EU > ED Operate reactor at the lowest possible temperature

TOPIC 6 Design for Multiple Reactions

Selectivity in Parallel Reactions: Two Reactant Systems

Desired Reaction:
kD 1A 1B D rD k D C1 CB1 A

rU k U C 2 CB2 A Undesired Reaction: 2 A 2B U

kU

rD k D ( 1 2 ) (1 2 ) SDU C A CB rU k U

TOPIC 6 Design for Multiple Reactions Case 1: 1>2; 1 > 2

Let, a = 1-2; b = 1 - 2
Example: A+BD A+BU

SDU

rD k D a b C A CB rU k U

For high SDU, maintain both A & B as high as possible How can we accomplish this?

Use a Batch reactor Or a Plug Flow reactor for continuous production. Use high pressure for gaseous systems.

TOPIC 6 Design for Multiple Reactions

Case 2: 1>2; 1 < 2
Let, a = 1-2; b = 2 - 1 Example: A+BD A+BU

rD kD C SDU rU kU C

a A b B

For high SDU, maintain concentration of A high and of B low

How can we accomplish this? Use a semi-batch reactor where B is fed slowly. Use Tubular reactor with side streams of B being fed continuously. Use series of small CSTRs with A fed only to the first and small amounts of B to each reactor.

TOPIC 6 Design for Multiple Reactions

Case 3: 1<2; 1 < 2 Let, a = 2-1; b = 2 - 1 Example: A+BD

A+BU

SDU

rD k D rU k U Ca Cb A B

For high SDU, maintain both concentration of A and B low.

How can we accomplish this?

Use a CSTR. Use a Tubular reactor with large recycle ratio. Use diluted feed Use low pressure for gaseous reactions.

TOPIC 6 Design for Multiple Reactions

Case 4: 1<2; 1 > 2

Let, a = 2-1; b = 1 - 2
Example: A+BD A+BU

rD kD Cb B SDU rU kU Ca A

For high SDU, maintain concentration of B high and of A low

How can we accomplish this? Use a semi-batch reactor where A is fed slowly Use Tubular reactor with side streams of A being fed continuously Use series of small CSTR with B fed only to first and A to each reactor.

END of TOPIC 6

(part 1)

TOPIC 6 Design for Multiple Reactions

PART 2: Series reactions

Series reactions
Example: Series Reaction in a batch/plug flow reactor

A B C
k1 k2

Reaction (1) : -r1A=k1CA Reaction (2): -r2B=k2CB Mole Balance on every species
Species A: Combined mole balance and rate law for a control volume batch reactor.

Series reactions
Net Rate of Reaction of A

rA=r1A+0
Rate Law

r1A=-k1ACA
Relative Rates

r1B= -r1A
Integrating with CA=CA0 at t=0 and then rearranging

Series reactions
Species B:

Net Rate of Reaction of B Rate Law

r2 B = -k2CB
Relative Rates

Combine

Series reactions
Optimization of Desired product

Species C:
CC = CA0 - CB CA

END OF TOPIC 6