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## Chemical Reaction Engineering and Kinetics

October 15 - Nov 26, 2009

Lecture 2:
Energy Equation for Reactors
Brian G. Higgins
Department of Chemical Engineering and
Materials Science
University of California, Davis

Email: bghiggins@ucdavis.edu
Lecture notes posted at
http://www.ekayasolutions.com
Analysis of Chemical Reactors
and the Connecting Disciplines
Thermodynamics Fluid Mechanics

Kinetics
Chemical Mathematics
Reactor

## Chemical reactors are the linchpin in a chemical plant for

controlling, optimizing, manipulating
the transformation of matter through chemical reactions
Nonisothermal Reactors

or

## Higher temperatures lead to higher reaction rates and smaller reactors

but
If temperature to high equilibrium can limit conversion
and
High temperatures can lead to hot spots and reactor failure
Analysis of Nonisothermal Reactors
Mass flow rate
Molar concentration

Reactor
Total energy
Control volume V

Rate of work done

## The energy balance is an accounting of

rate of
•  heat flow into the reactor with reactants
•  heat flow out of the reactor with products
•  heat generated/absorbed by reaction
•  work done by stirrers and friction
Energy Balance for Chemical
Reactors
Mass flow rate
Molar concentration

Reactor
Total energy
Control volume V

Rate of work done

## Total energy per unit mass

Rate of Work Done on System

Inlet pressure

Exit pressure

Fluid density
Energy Terms

## Convenient to work with enthalpy

reactor volume/mass

but composition

## Knowledge of thermodynamics important

Energy Equation for Batch
Reactor

## Neglect kinetic energy, potential energy and shaft work

Rate of Enthalpy
change

Reactor volume
Definition for enthalpy

## Rate of work due to change in volume

Expression for Enthalpy
Thermodynamic expression for enthalpy in terms of P, T, nj
Moles of species j

Heat capacity

## Reactor volume Partial molar enthalpy

Coefficient of expansion
Constant Pressure Liquid Batch Reactor
Step 1

change

=0

or

## Energy balance in terms of T and partial molar enthalpies

Constant Pressure Liquid Batch Reactor
Step 2

## Use heat of reaction to eliminate

Constant Pressure Liquid Batch Reactor
Example 1

At what rate must heat be removed to maintain reactor at 300 K to reach a conversion of 90%?

Solution:
Species balance:

## Time for 90% conversion:

Constant Pressure Liquid Batch Reactor
Example 1 continued

=0

Example 2

Species balance:

Stoichiometry:

## Balance for species B:

Conservation of mass:
Example 2 continued

=0
Energy Balance:

Integrating:

## Formula for calculating temperature rise in reactor

Example 2 continued

Reactor Parameters:

## For 95% conversion:

Non-Isothermal Batch Reactors
Example 3

## Case 1: Constant Pressure Reactor:

Reactor pressure is held constant; reactor volume therefore changes

## Which reactor converts the reactant more quickly?

Analysis Constant Pressure Case
Example 3 continued

Species balance:

## Energy balance constant pressure case:

Analysis Constant Volume Case
Example 3 continued

Species balance:

## Energy balance constant volume case:

Ideal gas mixture Summary of Results
Example 3 continued

By inspection

## Reaction proceeds more quickly in constant volume case!

Energy Balance for CSTR
Material Balance for CSTR

## General design equation for CSTR reactors

Energy Balance for Chemical
Reactors
Mass flow rate
Molar concentration

Reactor
Total energy
Control volume V

Rate of work done

## Total energy per unit mass

Energy Balance for CSTR

## Energy balance in terms of enthalpy:

Enthalpy relation:

## General design equation for CSTR reactors

Energy Balance for CSTR
Some special cases

## For liquid phase

Then
Steady State Energy Balance for CSTR
Example 1

80% conversion?

Solution:

## Adding and noting that cB0=0

Steady State Energy Balance for CSTR
Example 1 continued

Solution continued
Rate Expression
Steady State Energy Balance for CSTR
Example 1 continued

Solution continued
Rate Expression

Species balance

Working equation

## Solve for T with cA1=0.2 cA0

Appendix
Derivation of key formulas
Energy Balance in terms of T and P
Step 1
Rate of Enthalpy
change

Reactor volume
Enthalpy Expression Substitute

or

## Energy balance in terms of T and P and partial molar enthalpies

Energy Balance in terms of T and P
Step 2