Reactor: Difference between revisions
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Process simulation is extremely beneficial to engineers, allowing them to further understand the process, identify process advantages and limitations, and provide quantitative process outputs and properties. Modeling reactors and their corresponding reactions is difficult by nature but can be rewarding if done correctly. This page provides essential information on the topic of reactor simulation using the computer program Aspen HYSYS. | Process simulation is extremely beneficial to engineers, allowing them to further understand the process, identify process advantages and limitations, and provide quantitative process outputs and properties. Modeling reactors and their corresponding reactions is difficult by nature but can be rewarding if done correctly. This page provides essential information on the topic of reactor simulation using the computer program Aspen HYSYS. | ||
===Aspen HYSYS Reactor Simulation Basics=== | ===Aspen HYSYS Reactor Simulation Basics=== | ||
The HYSYS program allows the user to define reactions primarily based on desired model outputs and available information. After defining process components, the user can choose a reaction type as listed in [[Reactor#HYSYS Reactions | the section below]]. | The HYSYS program allows the user to define reactions primarily based on desired model outputs and available information. After defining process components, the user can choose a reaction type as listed in [[Reactor#HYSYS Reactions | the section below]]. HYSYS includes a number of different reactor models for the various reaction types, desired outputs, and specification limitations as well as standard PFR and CSTR models as described in [[Reactor#HYSYS Reactors | this section.]] | ||
===Limitations=== | ===Limitations=== | ||
Because simulation requires reaction characteristics, parameters, and other information, it is important to conduct background research appropriate to the reaction of interest before beginning the actual simulation. If theoretical or empirical data do not exist for the reaction, it may be difficult or impossible to conduct a computer simulation (see [[Reactor#Additional Options | Additional Options]]). Of course, the phase of the reaction must be known; unfortunately, however, HYSYS does not support solid phase modeling<ref>AspenTech, [http://www.aspentech.com/faq_solids_modeling_aspen_plus.pdf "FAQ: Solids Modeling in AspenPlus"], 2014</ref> and thus a different approach must be chosen. | Because simulation requires reaction characteristics, parameters, and other information, it is important to conduct background research appropriate to the reaction of interest before beginning the actual simulation. If theoretical or empirical data do not exist for the reaction, it may be difficult or impossible to conduct a computer simulation (see [[Reactor#Additional Options | Additional Options]]). Of course, the phase of the reaction must be known; unfortunately, however, HYSYS does not support solid phase modeling<ref>AspenTech, [http://www.aspentech.com/faq_solids_modeling_aspen_plus.pdf "FAQ: Solids Modeling in AspenPlus"], 2014</ref> and thus a different approach must be chosen. | ||
Revision as of 21:59, 6 February 2015
Authors: Vincent Kenny [2015] and Stephen Lenzini [2015]
Steward: Jian Gong and Fengqi You
Introduction
Process simulation is extremely beneficial to engineers, allowing them to further understand the process, identify process advantages and limitations, and provide quantitative process outputs and properties. Modeling reactors and their corresponding reactions is difficult by nature but can be rewarding if done correctly. This page provides essential information on the topic of reactor simulation using the computer program Aspen HYSYS.
Aspen HYSYS Reactor Simulation Basics
The HYSYS program allows the user to define reactions primarily based on desired model outputs and available information. After defining process components, the user can choose a reaction type as listed in the section below. HYSYS includes a number of different reactor models for the various reaction types, desired outputs, and specification limitations as well as standard PFR and CSTR models as described in this section.
Limitations
Because simulation requires reaction characteristics, parameters, and other information, it is important to conduct background research appropriate to the reaction of interest before beginning the actual simulation. If theoretical or empirical data do not exist for the reaction, it may be difficult or impossible to conduct a computer simulation (see Additional Options). Of course, the phase of the reaction must be known; unfortunately, however, HYSYS does not support solid phase modeling[1] and thus a different approach must be chosen.
Research
Phase
Fluid Package
Defining Reaction Characteristics
HYSYS Reactions
Components
Conversion Reaction
Equilibrium Reaction
Heterogeneous Catalytic Reaction
Kinetic Reaction
Simple Rate Reaction
Managing Reactions
HYSYS Reactors[2][3][4]
Plug Flow Reactor (PFR)
Continuous Stirred Tank Reactor (CSTR)
Equilibrium Reactor
Conversion Reactor
Gibbs Reactor
Yield Shift Reactor
Simulation
Degrees of Freedom[5][6]
A degree of freedom analysis will assist in reaching a state of convergence for the reactor and downstream units. For a reactor,
in which the number of degrees of freedom is expressed as the number of unknown variables plus the number of reactions occurring minus the number of material balances able to be performed on the system. In order for the simulation to converge, the user must specify as many variables as existing degrees of freedom. The simulation will then calculate unspecified variables.
Conclusion
Additional Options
References
- ^ AspenTech, "FAQ: Solids Modeling in AspenPlus", 2014
- ^ G.P. Towler, R. Sinnott, Chemical Engineering Design: Principles, Practice and Economics of Plant and Process Design. p.186-194, Elsevier (2012).
- ^ AspenTech. HYSYS 2005.2 Simulation Basis. Chapter 9 (2005).
- ^ Rice University Chemical Engineering Department, "Reactions in HYSYS"
- ^ R.M. Felder, R.W. Rousseau, Elementary Principles of Chemical Processes. 3rd edition, Wiley (2005).
- ^ "Introduction to Chemical Engineering Processes: Degree of Freedom Analysis on Reacting Systems"