Chapter 1: Mole Balances

CHE 402- Dr. Eid Al-Mutairi

CHE 402- Dr. Eid Al-Mutairi

Chemical Reactions
Examples Types Our life and chemical reactions

Define the rate of chemical reaction. Apply the mole balance equations to a batch reactor, CSTR, PFR, and PBR. Describe two industrial reaction engineering systems. Describe photos of real reactors. Describe how to surf the CD-ROM attached with this text.

CHE 402- Dr. Eid Al-Mutairi

CHE 402- Dr. Eid Al-Mutairi

Chemical Identity

Reaction Rate

A chemical species is said to have reacted when it has lost its chemical identity. The identity of a chemical species is determined by the kind , number ,and configuration of that species' atoms .
Three ways a chemical species can lose its chemical identity
decomposition combination isomerization

Measures how fast a number of moles of one chemical species are consumed to form another chemical.
CCl3CHO + 2C6H5Cl A + 2B (C6H4Cl)2CHCCl3+H2O C+D

CHE 402- Dr. Eid Al-Mutairi

CHE 402- Dr. Eid Al-Mutairi

Reaction Rate

Reaction Rate: Example I

A B

The reaction rate is the rate at which a species looses its chemical identity per unit volume. The rate of a reaction can be expressed as the rate of disappearance of a reactant or as the rate of appearance of a product. Consider species A:
A B

rA = the rate of formation of species A per unit volume - rA = the rate of a disappearance of species A per unit volume rB = the rate of formation of species B per unit volume

If B is being created Sat 0.2 moles per decimeter cubed per second, i.e, rB = 0.2 mole/dm3/s Then A is disappearing at the same rate: -rA = 0.2 mole/dm3/s For a catalytic reaction, we refer to -rA', which is the rate of disappearance of species A on a per mass of catalyst basis.

The rate of reaction, - rA, is the number of moles of A reacting (disappearing) per unit time per unit volume

CHE 402- Dr. Eid Al-Mutairi

CHE 402- Dr. Eid Al-Mutairi

Reaction Rate

Reaction Rate: Example II

CCl3CHO + 2C6H5Cl A + 2B (C6H4Cl)2CHCCl3+H2O C+D

Consider species j: rj is the rate of formation of species j per unit volume [e.g. mol/dm3*s] rj is a function of concentration, temperature, pressure, and the type of catalyst (if any) rj is independent of the type of reaction system (batch, plug flow, etc.) rj is an algebraic equation, not a differential equation We use an algebraic equation to relate the rate of reaction, -rA, to the concentration of reacting species and to the temperature at which the reaction occurs [e.g. -rA = k(T)CA2].

e.g. -rA = 4 mole/dm3/s rA = -4 mole/dm3/s -rB = 8 mole/dm3/s rB = -8 mole/dm3/s rC = 4 mole/dm3/s

CHE 402- Dr. Eid Al-Mutairi

CHE 402- Dr. Eid Al-Mutairi

Reactors
Plug Flow Reactor (PFR) or Tubular Reactor Continuous Stirred Tank Reactor (CSTR) Batch Reactor

Industrial Reactor

Reactor System Used at Amoco

Fixed Bed Reactor

Sasol Advanced Synthol (SAS) Reactor

CHE 402- Dr. Eid Al-Mutairi

CHE 402- Dr. Eid Al-Mutairi

Batch Reactors

CSTR

Batch reactors are the simplest reactors used in chemical processes. Reactants are first placed inside the reactor and then allowed to react over time. Applications: typically used for liquid phase reactions.

When only a small amount of product is desired (process in testing phase OR product is expensive)

CSTRs are very well mixed contents have uniform properties (temperature, density, etc) Reactants are continuously introduced into the reactor, while products are continuously removed.

CHE 402- Dr. Eid Al-Mutairi

CHE 402- Dr. Eid Al-Mutairi

PFR (Tubular)
Plug flow or tubular reactors consist of a hollow pipe or tube through which reactants and products to flow through. Applications: wide variety of operations (gas or liquid phases) Gasoline production Oil cracking

General Mole Balance Equation

IN - OUT + GENERATION = ACCUMULATION

CHE 402- Dr. Eid Al-Mutairi

CHE 402- Dr. Eid Al-Mutairi

Batch Mole Balance

General Mole Balance on System Volume V

CSTR Mole Balance

General Mole Balance on System Volume V

-No inflow or outflow

Assumptions Steady State Well mixed

Assumptions Well mixed

CHE 402- Dr. Eid Al-Mutairi

CHE 402- Dr. Eid Al-Mutairi

PFR Mole Balance

Batch Reactor Mole Balance

General Mole Balance on System Volume V

General Mole Balance on System Volume V

Steady State

-No inflow or outflow Assumptions Well mixed

Differentiate with respect to V

CHE 402- Dr. Eid Al-Mutairi

CHE 402- Dr. Eid Al-Mutairi

CSTR Mole Balance

PFR Mole Balance

General Mole Balance on System Volume V

General Mole Balance on System Volume V

Steady State Assumptions Steady State Well mixed NO spatial variations in rA Differentiate with respect to V
The integral form is:

V=

FA

FA 0

dF A rA

This is the volume necessary to reduce the entering molar flow rate (mol/s) from FA0 to the exit molar flow rate of FA.

CHE 402- Dr. Eid Al-Mutairi

CHE 402- Dr. Eid Al-Mutairi

CHE 402- Dr. Eid Al-Mutairi

CHE 402- Dr. Eid Al-Mutairi

CHE 402- Dr. Eid Al-Mutairi

CHE 402- Dr. Eid Al-Mutairi

CHE 402- Dr. Eid Al-Mutairi

CHE 402- Dr. Eid Al-Mutairi

CHE 402- Dr. Eid Al-Mutairi

CHE 402- Dr. Eid Al-Mutairi

CHE 402- Dr. Eid Al-Mutairi

CHE 402- Dr. Eid Al-Mutairi

Packed Bed Reactor Mole Balance

PBR

CHE 402- Dr. Eid Al-Mutairi

CHE 402- Dr. Eid Al-Mutairi

Packed Bed Reactor Mole Balance

PBR
FA0 FA +

Packed Bed Reactor Mole Balance

PBR
FA0 FA +

r dW = dN dt
A

r dW = dN dt
A

CHE 402- Dr. Eid Al-Mutairi

CHE 402- Dr. Eid Al-Mutairi

Packed Bed Reactor Mole Balance

PBR
FA0 FA +

Packed Bed Reactor Mole Balance

PBR
FA0 FA +

r dW = dN dt
A

r dW = dN dt
A

The integral form to find the catalyst weight is:

W=

FA

FA 0

dFA rA

CHE 402- Dr. Eid Al-Mutairi

Reactor Mole Balance Summary

Reactor Mole Balance Summary

CHE 402- Dr. Eid Al-Mutairi

Reactor Mole Balance Summary

CHE 402- Dr. Eid Al-Mutairi

Reactor Mole Balance Summary

CHE 402- Dr. Eid Al-Mutairi

Reactor Mole Balance Summary

CHE 402- Dr. Eid Al-Mutairi

CHE 402- Dr. Eid Al-Mutairi

Example 1-1

CHE 402- Dr. Eid Al-Mutairi

CHE 402- Dr. Eid Al-Mutairi

CHE 402- Dr. Eid Al-Mutairi

10