KC32203 Chemical Reaction Engineering

Credit Hour: 3 (2 hrs lecture & 2 hrs tutorial)
Lecturer: Dr. Noor Maizura Ismail
Lecture Session : Wed (08.00 A.M. – 10.00 A.M. ) at BT15
Thurs (02.00 P.M. – 04.00 P.M.) at BT14

http://umich.edu/~elements/

KC32203 Chemical
Reaction Engineering

CHAPTER 1:
Mole Balances

Objective: To provide understanding on the fundamental of
chemical reaction engineering, basic terms and derivation of
common reactor types general mole balance equations
KC32203 Chemical
Reaction Engineering

• Introduction Today’s • Definition Lecture: • General Mole Balance Equation – Batch – Continuous Flow • CSTR • PFR • PBR KC32203 Chemical Reaction Engineering .

Introduction & Definition • Chemical Reaction Engineering (CRE) is the field that studies the rates and mechanisms of chemical reactions and the design of the reactors in which they take place. • Examples of application: • Waste treatment • Microelectronics • Nanoparticles • Manufacture of chemicals & pharmaceuticals KC32203 Chemical Reaction Engineering .

KC32203 Chemical Reaction Engineering .

• The rate of a reaction (mol/dm3/s) can be expressed as either: the rate of Disappearance: -rA or as the rate of Formation (Generation): rA Any chemical component/element KC32203 Chemical with a given identity (type. 1. -rA • The reaction rate is the rate at which a species looses its chemical identity per unit volume. conf) Reaction Engineering .1 Rate of Reaction. no.

Combination 3. Decomposition 2. Isomerization KC32203 Chemical Reaction Engineering . Chemical Identity • A chemical species is said to have reacted when it has lost its chemical identity. 1.

2 mole/dm3/s KC32203 Chemical Reaction Engineering .2 mole/dm3/s The rate of formation (generation of A )is rA= -0.2 mole/dm3/s Then A is disappearing at the same rate: -rA= 0. Examples of Reaction Rate • For a reaction: AB If Species B is being formed at a rate of 0. ie. rB = 0.2 moles per decimeter cubed per second.

-rA = kCA2 KC32203 Chemical Reaction Engineering . Rate Equation (Rate Law) • Chemical rxn rate law – algebraic equation involving conc. -rA = kCA Or higher order. A Products Linear function of conc.

etc. we refer to -rA'. plug flow reactor. and the reaction system (batch reactor. mol/dm3*s] rA is a function of concentration.) KC32203 Chemical Reaction Engineering . NOTE: dCA/dt is not the rate of reaction. type of catalyst (if any). pressure. Reaction Rate • For a catalytic reaction.g. • rA is the rate of formation of species A per unit volume [e. rA is independent of the type of temperature. which is the rate of disappearance of species A on a per mass of catalyst basis (mol/gcat/s).

of moles of species j in syst. at any time. at time t KC32203 Chemical Reaction Engineering . t gives: Nj = no. 1. 2 The General Mole Balance Equation Balance on a system volume Mole balance on species j.

Rate of Rate of generation formation Reaction of species j. and other subvolumes. Vi Hence. of species j vol. Similar rate of generation of species Gj2. total rate of generation is: KC32203 Chemical Reaction Engineering . Suppose that the rate of formation of species varies with position.

rxn. (conc. T) can be diff values at diff location And we obtained: Basic eqn for chem. We can rewrite the eqn: Replace Gj in eqn (1-3) Note: rj will be indirect function of position. as properties of rxn materials and cond. eng! KC32203 Chemical Reaction Engineering .Taking limits s & integral.

variability of product. for processes that are difficult to convert to continuous process. 3 Batch Reactors • Usage: Small scale. homogeneous reactor mixing pattern KC32203 Chemical Reaction Engineering . testing new processes. • Adv: high conversion • Disadv: high labor costs. 1. manufacture of expensive products. Figure 1-5(a): Simple batch Figure 1-5(b): Batch reactor difficult large scale op.

and integrate and write: Consider isomerization of A. take rj outside integral. KC32203 Chemical Reaction Engineering .Mole balance: 0 0 General mole balance becomes: Remember For perfect mixing.

NA0 to final moles. N = NA1 To obtain: KC32203 Chemical Reaction Engineering . N = NA0 t = t1. t required to reduce initial no of moles. (1-5): Integrate with limits at Rearrange: t = 0. NA1?? Apply eqn. Moles of A Moles of B What is the time.

conc. 1. well mixed (no time & position dependence on T. 4 Continuous-Flow Reactors 1. or reaction rate) • T & conc. are the same at every point in the vessel & exit point KC32203 Chemical Reaction Engineering .4.1 Continuous-Stirred Tank Reactor (CSTR) Vat/backmix reactor Liquid phase operation • Operated at steady state.

: 0 Steady state (condition do not change with time) Perfect mixing (no spatial variation in rate of rxn): Substitute in eqn. 1-4 and rearrange: (1-7) KC32203 Chemical Reaction Engineering .From the general mole balance eqn.

(1-7) and (1-8) to obtain: KC32203 Chemical Reaction Engineering . Concentration of species Molar flow Volumetric rate flow rate Combine eqn.

1.2 Tubular Reactor • Steady state • Consists of cylindrical pipe • Gas phase rxns • Flow field modeled by plug flow profile • No radial variation in rxn rate • Referred as plug-flow reactor KC32203 Chemical Reaction Engineering .4.

The general mole balance eqn: Choose small differential vol. V that no special variation in rxn rate. generation term can be defined as: KC32203 Chemical Reaction Engineering .

Divide by V and rearrange: The bracket term resembles definition of derivative Take limit as V approaches 0 : KC32203 Chemical Reaction Engineering .

but total vol! KC32203 Chemical Reaction Engineering . applies well to TR For species A .Imagine we have irregular shape? The resultant eqn. the mole balance is: model Ideal PFR does not depend on shape. Apply eqn 1-10 would lead to eqn 1-11.

Again. consider isomerization of A. V1 neccesary to reduce from FA0 to FA1? Rearrange eqn (1-12): KC32203 Chemical Reaction Engineering . What is the reactor vol..

V of reactor. 1. W rather on on vol.3 Packed-Bed Reactor Diff btw calc for homogeneous and fluid solid heterogeneous is we need to consider rxn on surface of catalyst.4. Rate of rxn: KC32203 Chemical Reaction Engineering .

1-10 with catalyst weight. hence the mole balance: KC32203 Chemical Reaction Engineering . analogous to the tubular design eqn. T. & rxn rate. coordinate in Eqn. • Replace vol. W No radial gradients in conc. • Derivation of design eqn.

and take limit as W 0. Divide by W. Assume pressure drop & catalyst decay (section 10.7) can be neglected. the catalyst weight can be calculated by using: KC32203 Chemical Reaction Engineering . yield the differential form of packed-bed reactor.

Do not change with time No spatial variations – perfect mixing KC32203 Chemical Reaction Engineering . Summary of Reactor Mole Balances Note: Steady state – cond.