Scribd
Upload
815 views31 pages

Aspen Reactor

This document provides an overview of different reactor models that can be added in Aspen. It describes reactors such as RYield, RStoic, REquil, and RGibbs which are ideal for reactions without rigorous kinetics. It also covers kinetics-based reactors like RBatch, RCSTR, and RPlug, noting they provide a more accurate representation of reactions but require known kinetics. The document concludes that the appropriate reactor should be selected based on the available information about the reaction type, kinetics, stoichiometry, and other properties.

Uploaded by

Cristopher Cano
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PPTX, PDF, TXT or read online on Scribd
815 views31 pages

Aspen Reactor

This document provides an overview of different reactor models that can be added in Aspen. It describes reactors such as RYield, RStoic, REquil, and RGibbs which are ideal for reactions without rigorous kinetics. It also covers kinetics-based reactors like RBatch, RCSTR, and RPlug, noting they provide a more accurate representation of reactions but require known kinetics. The document concludes that the appropriate reactor should be selected based on the available information about the reaction type, kinetics, stoichiometry, and other properties.

Uploaded by

Cristopher Cano
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PPTX, PDF, TXT or read online on Scribd
You are on page 1/ 31

Aspen Reactors

Amanda Hamilton, Jonathan Kalman,


Harrison Kraus, Jenny Lam, Sophie Levy,
Jacob Salem
Stoichiometry of Methane Steam Reformation

CxHy + x H2O + heat → x CO + (x + y/2) H2


● Using natural gas/methane (CH4) for ease of explanation

CH4 + H2O + heat → CO + 3 H2


Adding a Reaction in Aspen
Adding a Reaction in Aspen
RYield
● Only one input feed
● Basis Yield = amount of component in the
output / amount input
● Ideal when lacking exact specifications about
Source: http://www.just.edu.jo/~yahussain/files/Reactors.pdf
stoichiometry and kinetics
● Specifications (need 2)
○ Need either:
■ Temperature / pressure
■ Temperature change
○ And one of:
■ Temperature
■ Pressure
■ Heat duty
■ Vapor fraction
RStoic
● Uses similar streams as RYield
● Ideal for known reaction stoichiometry
○ Kinetics may be unknown or unimportant
● Specifications (need 2) Source: http://www.just.edu.jo/~yahussain/files/Reactors.pdf

○ Need either:
■ Temperature
■ Pressure
○ And one of:
■ Temperature
■ Pressure
■ Duty
■ Vapor fraction
RStoic - Additional Optional Specifications
Combustion Selectivity

Heat of Reaction
REquil

● Ideal for:
○ Reactions with an equilibrium phase
○ Vapor and liquid product streams
● Inputs Source: http://www.just.edu.jo/~yahussain/files/Reactors.pdf
○ Material streams
○ Reaction
○ Extent of reaction (optional)
● Calculates equilibrium conditions based on thermodynamic data
● Outputs
○ Vapor AND liquid product streams ** No kinetics or stoichiometry needed,
○ Keq but does not do a rigorous analysis
RGibbs

● Subset of equilibrium reactors


● Ideal for:
○ Equilibrium systems with a solid phase
○ Finding phase and/or chemical equilibrium
● Inputs Source: http://www.just.edu.jo/~yahussain/files/Reactors.pdf

○ Material streams
○ Reactions (If phases are constrained)
● Predicts equilibrium conditions by minimizing the Gibbs Free Energy
● Outputs
○ Product streams ** No kinetics or stoichiometry needed,
but does not do a rigorous analysis
Reaction Kinetics

Source:
RBatch and RCSTR

● RBatch
○ Used to model batch or semi-batch reactor
○ 1, 2 or 3 phases
○ Continuous vapor vent, delayed or continuous feeds (optional)

● RCSTR
○ Used to model continuous stirred tank reactor
■ Contents of reactor has the same properties as the outlet stream
○ 1, 2 or 3 phases
RBatch - Specifications

● Pressure specifications
● Reactor operating specification
and associated parameters
○ Constant temperature
○ Temperature profile
○ Constant heat duty
○ Heat duty profile
○ Constant coolant temperature
○ Heat transfer user subroutine
● Phases present in the reactor
○ No solid phases
RBatch - Kinetics and Stop Criteria

● Reaction kinetics
● Stop criteria variables
○ Time elapsed
○ Mole or mass fraction of a component
○ Conversion of a component
○ Total moles or mass of material
○ Total volume, temperature, pressure,
or vapor fraction in the reactor
○ Mole or mass flow rate in vent
○ System property (i.e viscosity)
RBatch - Operation Times & Outputs

● Specify operation times


○ Batch cycle times
○ Calculation times for
profile results
● Some outputs
○ Time which stop criteria
satisfied
○ Heat load per cycle
○ Min and max reactor
temperatures
RCSTR - Specifications
● 2 design variables
○ Pressure
○ Temperature or heat duty
● Valid phases
● Reactor specifications (phase dependent)
○ Reactor volume
○ Residence time
○ Phase volume, fractions, or residence time
● Reaction kinetics
● Some outputs
○ Heat duty
○ Phases
○ Residence time
RPlug

● Rigorous simulation of ideal plug flow reactor


● 7 types of RPlug specifications
○ No input required
■ Adiabatic
○ Input required
■ Specified temperature
■ Constant thermal fluid temperature
■ Co-current thermal fluid
■ Counter-current thermal fluid
■ Specified thermal fluid temperature profile
■ Specified external heat flux profile
RPlug - Specifications

Specified temperature Specified external heat flux profile

● Temperature input ● Location in reactor (fraction of reactor


● Location in reactor (fraction of reactor length)
length) ○ Heat flux at location
RPlug - Specifications
Co-current thermal fluid Counter-current thermal fluid

Constant thermal fluid temperature Specified thermal fluid temperature profile

● Overall heat transfer coefficient


● Thermal fluid temperature
● Location in reactor (fraction of reactor length)
○ Temperature at location
RPlug - Configuration

● Required
○ Reactor length
○ Reactor diameter
● Optional
○ Number of tubes
○ Varying diameter
RPlug - Catalyst

● Must indicate catalyst present


● Three specifications
○ Catalyst loading
○ Particle density
○ Bed voidage
Pros/Cons of Kinetics-Based Reactors

Pros Cons
● More accurate representation of ● Can only be used if kinetics are
reactions known
● Allows reversible reactions to be ● More intense calculations can
properly represented slow down simulation
● RBatch and RPlug can only have
one feed
Conclusions

● Reactor requirements differ based on their inputs


○ Number of Feeds
○ Stoichiometry
○ Kinetics
○ Various reactor and feed properties
● Rigorous models stay true to real-life standards
○ Other models still valid for estimation
● Select the appropriate reactor based on information you have
○ Type of reaction
○ Kinetics, Stoichiometry, etc.
Sources

Aspen Plus

https://web.ist.utl.pt/ist11038/acad/Aspen/AspUserGuide10.pdf

http://www.just.edu.jo/~yahussain/files/Reactors.pdf

http://www.chemengr.ucsb.edu/~ceweb/courses/che184b/aspenplus/PolymersPlusUserGuideVolume2.pdf

https://dechema-dfi.de/kwi_media/Downloads/tc/Vorlesungen/Erlangen/slides_4.pdf
Thank you for listening!
Questions?

You might also like