ChemCad Tutorial: Reactors

CHBE 464
Team # 11
Pooneh Azadikhah
Levy Minchala
Theo Nimpson
Linka Touch
Date: Feb 3, 2017
 Get Started
Select components

Adjust unit

Select your unit

operations

4 Types of Reactors:

Stoichiometric

Equilibrium

Gibb

Kinetic
Water-Gas Shift Reaction
Used to improve H2 production in steam reforming of methane

Most Important reaction used in the Fischer-Tropsch Process to balance

H2/CO ratio

Water-Gas Shift reaction: CO + H2O CO2 + H2

Conditions
Conditions chosen are similar to those used during steam reforming process:

Temperature - 1000 C

Pressure - 1 atm

Pressure drop 0.001 atm

H2O = 30 kmol/hr CO = 10 kmol/hr

Stoichiometric Reactor
Need to specify stoichiometry of reaction, key
component, and fraction conversion in order to
have ChemCad calculate product compositions
and heat duty
Stoichiometric Reactor
Assume adiabatic for simplicity

Reaction:

CO + H2O CO2 + H2
Stoichiometric Reactor
Pros: Cons:

Simplest reactor model Use only for a single reaction

Mostly use for a preliminary Normally would change to other

model reactor for accuracy

Initial calculation/observation
Equilibrium Reactor
Pros: Cons:

Simple reactor model and easy Normally would change to other

to use reactor for accuracy
Used to perform multiple
reactions
Equilibrium Reactor

Make sure to enter the number of

reactions occurring and the pressure drop

Choose the expected phase conditions of

the reaction
Equilibrium Reactor
The General equilibrium reactor model used for most reactions

There are two exceptions:

Water-Gas shift reactions

CO + H2O CO2 + H2

Methanation reactions

CO + 3H2 CH4 + H2O

Each exception has a unique model

Choose the appropriate thermal mode

Specify the calculation mode to set...

the reactions as dependent (Series)

or independent (Parallel) of each
other

the temperature range

Or total extent of reaction

Choose the appropriate thermal mode

Specify the calculation mode to set...

the reactions as dependent (Series)

or independent (Parallel) of each
other

the temperature range

Or total extent of reaction

General model Shift model Methanation model
 Specify one of the following
Choose a reference compound
for the reaction

Specify the phase of the

Include all compounds involved reaction
in the reaction

Include stoichiometric
coefficient for each compound
Gibbs Reactor
Calculates product rates, compositions, and thermal conditions by minimizing
Gibbs free energy

Pros Cons

Easy - Minimum input is identity No time dependency - Can only

of feed. No reaction stoichiometry determine hypothetical
required equilibrium mixture
 Can select Vapor/Mixed or Liquid
If selecting adiabatic or Streams
heat duty mode, the
calculated outlet T will Specify optional air/fuel streams
appear here here.

If no pressure Lambda factor is air/fuel ratio on

specified, default is the molar basis. Inputting value here
feed pressure adjusts air stream to meet fuel
stream at the specified ratio
Default Pressure drop
is 0. Approach DT is Calculated Heat of Reaction
the delta T value used appears here
in calculations
Select calculation based on ideal
For adiabatic, sets solution or activity factors
allowable T range for
calculation. If minimum Defaults are 10, 1E-5
Gibbs energy occurs
outside this range, the
min or max value is
used instead
Solids and Inerts Tabs
Gibbs Reactor
Second Window - Only requires
input if using user-created
components
After running
the reactor
Kinetic Reactor
Several reaction can be used, about 300

By knowing the conversion, the size of the reactor can be calculated and vice versa

Reaction can be in liquid and vapor phase or mix phase

First few steps are like the other types of reactors, like choosing the components and
changing the units to SI units and also feed stream properties
Kinetic Reactor
Specify conversion 0.633

Calculate the size

Kinetic reactor modes:

Adiabatic

Isothermal

Specified heat duty

Specified temperature profile

Specified utility condition

Kinetic Reactor
We need to specify
Frequency factor

Activation energy

Stoichiometric coefficient

Run
Conclusion
Each type of ChemCad reactor has different role

Stoichiometric, Equilibrium, Gibbs, and Kinetic

o Stoichiometric Reactor for when you want quick results for a simple reaction
o Equilibrium Reactors for when you want quick results for multiple reactions
o Gibbs Reactors for when you want to know the equilibrium mixture
o Kinetics Reactor for CSTR and PFR reactions

Each reactor has its pros and cons

It is up to the engineer to choose the correct one for his/her
design