23/03/2013

ReactoresQumicosenAspen
Plus
DiplomadoenEnerga
ModuloV
22deMarzodel2013UAMCuajimalpa

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MODELO
REACTORESQUIMICOS
DESCRIPCIN PROPSITO UTILIDAD

RSTOIC reactorestequiometrico modela reactoresestequiometricoscon reactoresdondela cintica esdesconocida o poco

extensin o conversin especificada importante pero la estequiometria y extensinson conocidas

reactores donde la estequiometria y la cintica son

RYIELD reactorde produccion modela reactorcon una produccion
desconocidaso pocoimportantes pero la distribucinde
especifica
rendimiento esconocida

REQUIL reactorde equilibrio realiza equilibrio qumicoy defasespor reactoresconsimultneosequilibriosqumicosy de fases

clculosestequiometricos

reactorde equilibrio reactorescon simultneos equilibrios qumicos y de fases.

RGIBBS realiza equilibrio qumicoy defasespor
con minimizacin de Calculo de equilibrios de fase para solucionescon slidosy
minimizacinde la energa deGIBBS
energa de GIBBS sistemasvaporliquidosolido
reactoresde tanqueagitados con una, dos, otresfases con
RCSTR Reactorcontinuo de modela reactorde tanque agitado reaccionesde equilibrio o controladas enalguna fase basado
tanque agitado
en estequiometria o cintica
reactores de flujo pistn con una, dos, o tresfases con
RPLUG Reactorde flujode modela reactorde flujo de pistn reaccionesde equilibrio o controladas enalguna fase basado
pistn
en estequiometria o cintica
reactoresbatch o semicontinuos con una,dos,o tresfases
RBATCH ReactorBatch modela reactoresbatch o semicontinuos con reacciones deequilibrio o controladas en alguna fase
basado en estequiometria o cintica

Noesnecesarioespecificarcaloresdereaccin,porqueAspenPlususalaentalpa
elementaldelestadodereferenciadecalordeformacindelcomponente.

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ModelosdeReactoresenAspenPlus
Model Stoichiometry Kinetics Rigorous Feed
RSTOIC Yes No No Any
RYIELD No No No Any
REQUIL No No No Any
RGIBBS No No No Any
RBATCH Yes Yes Yes 1
RCSTR Yes Yes Yes Any
RPLUG Yes Yes Yes 1

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RSTOIC
UseRStoic tomodelareactorwhen:
Reactionkineticsareunknownorunimportantand
Stoichiometryandthemolarextentorconversion
isknownforeachreaction
RStoic canmodelreactionsoccurringsimultaneously
orsequentially.Inaddition,
RStoic canperformproductselectivityandheatof
reactioncalculations.

MaterialStreams
InletAtleastonematerialstream
Outlet One product stream
Onewaterdecantstream(optional)
Heat Stream
InletAnynumberofheatstreams(optional)
RStoic usesthesumoftheinletheatstreamsastheheatduty
specification,if
youdonotspecifyanoutletheatstream.
OutletOneheatstream(optional)
Thevalueoftheoutletheatstreamisthenetheatduty(sumoftheinlet
heat
streamsminusthecalculatedheatduty)forthereactor.

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RYIELD
Use RYield to model a reactor when:

Reaction stoichiometry is unknown or

unimportant
Reaction kinetics are unknown or unimportant
Yield distribution is known
You must specify the yields (per mass of total
feed, excluding any inert components) for the
products or calculate them in a usersupplied
Fortran subroutine. RYield normalizes the yields MaterialStreams
to maintain a mass balance. RYield can model InletAtleastonematerialstream
one, two, and threephase reactors. Outlet One product stream
Onewaterdecantstream
(optional)
Heat Streams
InletAnynumberofheatstreams
(optional)
OutletOneheatstream(optional)
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REQUIL
Use REquil to model a reactor when:

Reaction stoichiometry is known and

Some or all reactions reach chemical
equilibrium.
REquil calculates simultaneous phase and
chemical equilibrium. REquil allows restricted
chemical equilibrium specifications for
reactions that do not reach equilibrium.
REquil can model one and twophase reactors.
MaterialStreams
InletAtleastonematerialstream
OutletOnematerialstreamforthe
vaporphase
Onematerialstreamfortheliquid
phase
Heat Streams
InletAnynumberofheatstreams
(optional)
OutletOneheatstream(optional)
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RGIBBS
RGibbs uses Gibbs free energy minimization with phase
splitting to calculate equilibrium. RGibbs does not require
that you specify the reaction stoichiometry.

Use RGibbs to model reactors with:

Single phase (vapor or liquid) chemical equilibrium
Phase equilibrium (an optional vapor and any number
of liquid phases) with no chemical reactions
Phase and/or chemical equilibrium with solid solution
phases
Simultaneous phase and chemical equilibrium RGibbs
can also calculate the chemical equilibria between any MaterialStreams
number of conventional solid components and the fluid InletAtleastone
phases. RGibbs also allows restricted equilibrium materialstream
specifications for systems that do not reach complete OutletAtleastone
equilibrium. materialstream

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RCSTR

RCSTR rigorously models continuous

stirred tank reactors. RCSTR can model
one, two, or threephase reactors.
RCSTR assumes perfect mixing in the
reactor, that is, the reactor contents have
the same properties and composition as
the outlet stream.
RCSTR handles kinetic and equilibrium MaterialStreams
reactions as well as reactions involving InletAtleastone
solids. You can provide the reaction materialstream
kinetics through the builtin Reactions Outlet One material
models or through a userdefined stream
Fortran subroutine. Heat Streams
InletAnynumberof
heatstreams(optional)
OutletOneheatstream
(optional)

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RPLUG
RPlug is a rigorous model for plug flow
reactors. RPlug assumes that perfect mixing
occurs in the radial direction and that no
mixing occurs in the axial direction. RPlug can
model one, two, or threephase reactors. You
can also use RPlug to model reactors with
coolant streams (cocurrent or counter
current). RPlug handles kinetic reactions, MaterialStreams
including reactions involving solids. You must InletOnematerialfeedstream
know the reaction kinetics when you use One coolant stream (optional)
RPlug to model a reactor. You can provide the OutletOnematerialproduct
stream
reaction kinetics through the builtin Reactions
One coolant stream (optional)
models or through a userdefined Fortran Heat Streams
subroutine. InletNoinletheatstreams
OutletOneheatstream(optional)
forthereactorheatduty.Usethe
heatoutlet
streamonlyforreactorswithouta
coolantstream.

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RBATCH
RBatch is a rigorous model for batch or
semibatch reactors. Use RBatch when you
know the kinetics of the reactions taking
place. You can specify any number of
continuous feed streams. A continuous
vent is optional. The reaction runs until it
reaches a stop criterion that you specify.
Batch operations are unsteadystate
MaterialStreams
processes. RBatch uses holding tanks and InletOnebatchchargestream
your specified cycle times to provide an (required)
interface between the discrete operations Oneormorecontinuousfeed
of the batch reactor and the continuous streamsforsemibatchreactors
(optional)
streams used by other models. OutletOneproductstream
RBatch can model one, two, or three (required)
phase reactors. Oneventstreamforsemibatch
reactors(optional)
Heat Streams
InletNoinletheatstreams
OutletOneheatstream(optional)

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Resumen
Hay 7 modelos de reactor incorporados en Aspen Plus; RSTOIC, RYIELD, REQUIL,
RGIBBS, RPLUG, RCSTR y RBATCH. RPLUG, RCSTR y RBATCH modelos son rigurosos de
los reactores de flujo pistn (tubulares), CSTR y por lotes, respectivamente.
RSTOICH se debe utilizar en los casos en que la estequiometra se conoce, pero la
cintica de la reaccin es o desconocida o poco importante.
Si se dan los dos casos, la cintica de reaccin y loa estequiometra son desconocidas
entonces deben ser usarse RYIELD en las simulaciones.
Para clculos de una sola fase en equilibrio qumico fase de equilibrio o equilibrio
qumico y de fases simultneos la eleccin del modelo de reactor de debe ser REQUIL o
RGIBBS.
REQUIL basa sus clculos en la solucin simultnea de la estequiometria y el equilibrio
de fases, mientras que RGIBBS resuelve su modelo minimizando la energa libre de
Gibbs.
Todos los modelos de reactores, excepto RPLUG y RBATCH pueden tener cualquier
nmero de corrientes de alimentacin. Estas corrientes se mezclan internamente.
Los modelos rigurosos pueden incorporar las cinticas tipo ley de la potencia o
LangmuirHinschelwoodHougenWatson (includas en Aspen) o cinticas especificados
por el usuario.
Estas se pueden definir en subrutinas escritas en Fortran o en hojas de clculo de Excel.

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Velocidadesdereaccin

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CINETICADERECCIONESDELANGMUIR
HINSHELWOODHOUGENWATSON(LHHW)

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