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This file was created with JabRef 2.2.
Encoding: ISO-8859-1
@STRING{AIChE = {AIChE Journal}}
@STRING{ATMS = {ACM Transactions on Mathematics and Software}}
@STRING{AUTO = {Automatica}}
@STRING{CCE = {Computers and Chemical Engineering}}
@STRING{CEJ = {Chemical Engineering Journal}}
@STRING{CEP = {Chemical Engineering and Processing}}
@STRING{CES = {Chemical Engineering Science}}
@STRING{CJ = {Computer}}
@STRING{ESCAPE = {ESCAPE}}
@STRING{FC = {Food Control}}
@STRING{IC = {IEEE Computer}}
@STRING{IEC = {Industrial and Engineering Chemistry Fundamentals}}
@STRING{IECR = {Industrial and Engineering Chemistry Research}}
@STRING{IJC = {International Journal of Control}}
@STRING{INME = {International J. for Numerical Methods in Engng.}}
@STRING{JANM = {J. Appl. Num. Math.}}
@STRING{JCAP = {J. Comp. Appl. Math.}}
@STRING{JMP = {J. Math. Phys.}}
@STRING{LAA = {Linear Algebra and its Applications}}
@STRING{NM = {Numerische Mathematik}}
@STRING{PC = {Parallel Computing}}
@STRING{SIAM = {SIAM Journal of Computing}}
@STRING{SJNA = {SIAM J. Numer. Anal.}}
@STRING{SJSC = {SIAM J. Stat. Comp.}}
@STRING{SJSS = {SIAM J. Sci. Stat. Comp.}}
@STRING{TAC = {IEEE Transactions on Automatic Control}}
@STRING{TC = {IEEE Transactions on Computing}}
@STRING{TCS = {IEEE Transactions on Circuits and System}}
@STRING{TCT = {IEEE Transactions on Circuit Theory}}
@STRING{TICE = {Trans. Inst. Chem. Engrs.}}
@STRING{TICS = {IEEE Transactions on CAD of Integrated Circuit Systems}}
@ARTICLE{Alejski:1996,
author = {Krzysztof Alejski and Françoise Duprat},
title = {Dynamic Simulation of the Multicomponent Reactive Distillation},
journal = {Chemical Engineering Science},
year = {1996},
volume = {51},
pages = {4237--4252},
number = {18},
abstract = {A dynamic mathematical model of reactive distillation in case of kinetically
controlled chemical reaction is formulated using four basic assumptions:
negligible vapour holdup compared to the molar liquid holdup, perfect
mixing of phases, corrections of equilibrium values by plate efficiency,
corrections of conversion for mixing effects by "conversion efficiency".
The accuracy of the dynamic simulation results of reactive distillation
obtained under different assumptions is verified by comparing with
results of actual experiments on a pilot-scale distillation column.
Both the unsteady-state period during start-up and the disturbances
of continuous operation are considered. Esterification of ethanol
with acetic acid with sulphuric acid as homogeneous catalyst is chosen
for experiments. Accuracy of simulation is very good in case of model
containing hydraulic description of plates with regard to temperatures
inside column and in the reboiler. Responses of component concentrations
are less accurate, but imposed disturbances were very large. Observed
differences result from simplifications of mathematical model, inaccuracy
of the kinetic and vapour-liquid equilibrium description for highly
nonideal, multicomponent system and from precision of experimental
measurements in case of transient state. Differences between experimental
and simulation results in case of different models are the most significant
for large holdup on plates in comparison with reboiler. As a general
rule, in case of reactive distillation simulation for dynamics, description
models taking into consideration plate hydraulics should be used.},
comment = {Versão impressa.},
owner = {Paula},
pdf = {reactivedistillation/Alejski:1996.pdf},
timestamp = {2006.09.22}
}
@ARTICLE{Alfradique:2005,
author = {Marcelo F. Alfradique and Marcelo Castier},
title = {Modeling and simulation of reactive distillation columns using computer
algebra},
journal = {Computers and Chemical Engineering},
year = {2005},
volume = {29},
pages = {1875--1884},
abstract = {This work presents an extension of a computer algebra (CA) program,
Thermath, originally developed for the automatic implementation of
physical property calculations, to generate computer codes in Fortran
for the simulation of steady-state reactive distillation columns.
The adopted procedure requires the simultaneous solution, using the
Newton-Raphson method, of mass and energy balances, phase equilibrium
equations, chemical equilibrium or rates of reaction equations and
an additional equation needed to match the number of degrees of freedom.
The Thermath program was used to obtain Fortran subroutines that
implement these equations and their derivatives with respect to the
process variables and the equation of state and/or excess Gibbs free
energy model used in the simulation. The results are in excellent
agreement with those available in the literature. By using Thermath,
it was possible to reduce the time and effort needed to implement
the mathematical models of multistage reaction-separation equipment.},
comment = {Apenas versão eletrônica.},
keywords = {Computer algebra; Reactive distillation; Mathematica; Simulation},
owner = {Paula},
pdf = {reactivedistillation/Alfradique:2005.pdf},
timestamp = {2006.09.22}
}
@PHDTHESIS{Baur:2000_dissertation,
author = {Richard Baur},
title = {Modelling Reactive Distillation Dynamics},
school = {Clarkson University},
year = {2000},
comment = {Apenas eletrônica},
owner = {Paula},
pdf = {reactivedistillation/Baur:2000_dissertation.pdf},
timestamp = {2006.09.22}
}
@ARTICLE{Baur:2000,
author = {R. Baur and A.P. Higler and R. Taylor and R. Krishna},
title = {Comparison of equilibrium stage and nonequilibrium stage models for
reactive distillation},
journal = {Chemical Engineering Journal},
year = {2000},
volume = {76},
pages = {33--47},
abstract = {For modelling reactive distillation columns, two distinctly different
approaches are available in the literature: (1) the equilibrium (EQ)
stage model, in which the vapour and liquid phases are assumed to
be in thermodynamic equilibrium, and (2) the nonequilibrium (NEQ)
stage model in which the finite mass transfer rates across the vapour-liquid
interface are accounted for. In this paper, these two approaches
are compared using two case studies: (a) synthesis of MTBE and (b)
hydration of ethylene oxide to ethylene glycol. It is shown that
while the phenomena of multiple steady states is exhibited by both
modelling approaches, the "window" in which these multiplicities
occur is significantly reduced in the NEQ model. It is also shown
that in actual column design, some of the steady states calculated
by the EQ model cannot be realised due to e.g. flooding or weeping
limitations on distillation trays. Another important conclusion that
can be drawn from this work is that the hardware design can have
a significant influence on the conversion and selectivity. It is
concluded that for design of reactive distillation columns we must
adopt the NEQ modelling approach.},
comment = {versão eletrônica.},
keywords = {Reactive distillation; Equilibrium stage model; Nonequilibrium stage
model; Multiple steady states; Maxwell-Stefan equations; Methyl tert-butyl
ether synthesis; Ethylene glycol; Tray design},
owner = {Paula},
pdf = {reactivedistillation/Baur:2000.pdf},
timestamp = {2006.09.22}
}
@ARTICLE{Baur:2004,
author = {R. Baur and R. Krishna},
title = {Distillation column with reactive pump arounds:an alternative to
reactive distillation},
journal = {Chemical Engineering and Processing},
year = {2004},
volume = {43},
pages = {435--445},
abstract = {The hardware design of reactive distillation (RD) columns pose severe
challenges with respect to the choice and design of the hardware;
the requirements of reaction (i.e. high liquid or catalyst holdup)
is not in consonance with the requirement of separation (high interfacial
area). In this paper, we examine an alternative to the RD concept,
namely a distillation column networked with a number of side (external)
reactors. If each distillation stage is linked to a side reactor,
the performance of the RD column is matched exactly. From a practical
point of view, it is desirable to reduce the number of side reactors
to below, say, six. The precise location of the chosen number of
side reactors
and the manner in which the liquid draw-offs and reactor effluent
re-entry to the distillation column needs to be chosen carefully.
We have developed an algorithm to determine an optimum configuration
of the side-reactor concept in order to maximise conversion. For
the case study of methyl acetate production, we see that it is possible
to match the conversion level of an RD column by appropriate choice
of the number of side reactors and the pump around ratio. The higher
the conversion target the larger the number of side reactors and
pump around ratios. For modest conversion levels, say <90%, even
a 3-side-reactor configuration will be able to match the performance
of the RD column. The study presented here reveals the potential,
and limitations, of the side-reactor concept for use as an alternative
to RD technology.},
keywords = {Reactive distillation; Equilibrium stage model; Methyl acetate; Column
hardware; Hydrodynamics; Mass transfer; Flooding; Side-reactors;
Pump-arounds},
owner = {Paula},
pdf = {reactivedistillation/Baur:2004.pdf},
timestamp = {2006.09.22}
}
@ARTICLE{Baur:2001,
author = {R. Baur and R. Taylor and R. Krishna},
title = {Dynamic behaviour of reactive distillation columns described by a
nonequilibrium stage model},
journal = {Chemical Engineering Science},
year = {2001},
volume = {56},
pages = {2085--2102},
abstract = {In this paper we develop a generic, dynamic, nonequilibrium (NEQ)
stage model for reactive distillation (RD) columns. The main features
of our model are: (1) use of the Maxwell-Stefan equations for describing
mass transfer between fluid phases, (2) solid catalysed reactions
are treated using a pseudo-homogeneous liquid phase model with the
appropriate pseudo-homogeneous kinetic expressions and (3) a comprehensive
set of design correlations, for both trays (sieve, bubble caps) and
packings (random dumped, structured), for hold-up and mass transfer
have been incorporated into the software package following earlier
work (Taylor et al., Comput. Chem. Eng. 18 (1994) 205). We report
some interesting dynamic features of RD columns by examining the
response of a column for methyl tert-butyl ether (MTBE) synthesis
to perturbations in the feed of methanol, iso-butene or n-butene.
When operating at a highconversion branch of the bifurcation diagram,
small perturbations are shown to lead to a transition to a low-conversion
branch. The NEQ model is shown to be more susceptible to feed perturbations
than a conventional equilibrium (EQ) model with constant component
eficiencies. The di!erences between the dynamic behaviour of trayed
and random-packed columns are also emphasised in this work. The dynamic
behaviour of the column has been interpreted on the basis of the
iso-butene recycle flow in the column. It has been shown that the
size, type and duration of a feed perturbation causing a transition
from one to another steady state depends on the model description,
on the column configuration and on the residence time distribution
along the column height. Experimental
verification of the developed dynamic model is obtained by comparison
with the experimental results of Mohl et al. (Chem. Eng. Sci. 54
(1999) 1029) for synthesis of tertiary amyl ether (TAME).},
comment = {versão eletrônica.},
keywords = {Reactive distillation; Equilibrium stage model; Nonequilibrium stage
model; Multiple steady states; Nonlinear dynamics; Maxwell-Stefan
equations; Methyl tert-butyl ether synthesis},
owner = {Paula},
pdf = {reactivedistillation/Baur:2001.pdf},
timestamp = {2006.09.22}
}
@ARTICLE{Baur:2001a,
author = {R. Baur and R. Taylor and R. Krishna},
title = {Dynamic behaviour of reactive distillation tray columns described
with a nonequilibrium cell model},
journal = {Chemical Engineering Science},
year = {2001},
volume = {56},
pages = {1721--1729},
abstract = {In this paper we develop a generic, dynamic, nonequilibrium (NEQ)
cell model for reactive distillation (RD) tray columns. The features
of our model are (1) the use of Maxwell-Stefan equations for describing
mass transfer between fluid phases, (2) the reaction is assumed to
take place in the liquid phase, both within the di!usion layer and
in the bulk, (3) the coupling between mass transfer and chemical
reactions within the di!usion layer is accounted for, and (4) the
use of multiple well-mixed cells in the liquid and vapour flow directions
in order to account for staging in either fluid phase. The utility
of the developed model is demonstrated by carrying out simulations
of a RD column for production of ethylene glycol (EG) by hydration
of ethylene oxide. The introduction of staging in the vapour and
liquid phases improves the conversion to EG and also reduces the
formation of the unwanted di-ethylene glycol. Furthermore, there
are marked di!erences between the dynamic column response to feed
perturbations between the developed NEQ model and the more commonly
used equilibrium (EQ) stage model.},
comment = {versão eletrônica.},
keywords = {Reactive distillation; Equilibrium stage model; Nonequilibrium stage
model; Dynamics; Maxwell-Stefan equations; Ethylene glycol},
owner = {Paula},
pdf = {reactivedistillation/Baur:2001a.pdf},
timestamp = {2006.09.22}
}
@ARTICLE{Baur:2000a,
author = {R. Baur and R. Taylor and R. Krishna},
title = {Development of a dynamic nonequilibrium cell model for reactive distillation
tray columns},
journal = {Chemical Engineering Science},
year = {2000},
volume = {55},
pages = {6139--6154},
abstract = {In this paper we develop a nonequilibrium (NEQ) cell model to describe
the dynamic operation of reactive distillation (RD) tray columns.
The features of our model are: (1) use of the Maxwell-Stefan equations
for describing mass transfer between fluid phases, (2) chemical reactions
are assumed to take place only in the liquid phase, (3) coupling
between mass transfer and chemical reactions within the difusion
layer is accounted for, and (4) the use of multiple well-mixed cells
in the liquid and vapour flow directions accounts
for staging in either fluid phase. When the chemical reactions are
suppressed, our model describes the dynamic behaviour of conventional
distillation columns. We demonstrate the utility of the dynamic NEQ
cell model by means of three case studies: (1) metathesis of 2-propene
in an RD column, (2) distillation of methanol-iso-propanol-water,
and (3) synthesis of methyl tert-butylether (MTBE) in an RD column.
For comparison purposes we have also carried out dynamic simulations
using the equilibrium stage (EQ) model. These case studies help us
to draw the following conclusions. The introduction of staging in
the liquid and vapour phases not only influences the steady-state
performance, by increasing reaction conversion and separation capability,
but also has a significant influence on column dynamics. With multiple
cells per stage the column dynamics becomes much more sensitive to
perturbations. Furthermore, we show that even when the NEQ cell model
and EQ stage model exhibit almost identical steady-state characteristics,
the dynamic responses of an RD column could even be qualitatively
diferent. When operating close to the distillation boundary for nonreactive,
conventional, distillation, small disturbances in feed compositions
can lead to completely di!erent product compositions.},
keywords = {Reactive distillation; Equilibrium stage model; Nonequilibrium cell
model; Multiple steady states; Dynamics; Maxwell-Stefan equations;
Methyl tert-butyl ether synthesis; Metathesis reaction},
owner = {Paula},
pdf = {reactivedistillation/Baur:2000a.pdf},
timestamp = {2006.09.22}
}
@ARTICLE{Benallou:1986,
author = {A. Benallou and D. E. Seborg and D. A. Mellichamp},
title = {Dynamic Compartmental Models for Separation Processes},
journal = {AIChE Journal},
year = {1986},
volume = {32},
pages = {1067--1078},
comment = {artigo apenas utilizado como referência (apud).},
owner = {Paula},
timestamp = {2006.09.02}
}
@ARTICLE{Betlem:2000,
author = {B. H. L. Betlem},
title = {Batch distillation column low-order models for quality program control},
journal = {Chemical Engineering Science},
year = {2000},
volume = {55},
pages = {3187--3194},
abstract = {For batch distillation, the dynamic composition behaviour can be described
by the dominant time constant and the bottom exhaustion. Its magnitude
is determined by the change of the composition distribution and is
maximal when the inflection point of the molar fraction profile is
located in the middle of the column. Then, the tray interactions
are minimal. The distribution change during the batch run strongly
depends on the applied control strategy. Under constant quality control,
the dominant time constant proved to be nearly constant whereas under
constant reflux control the dominant time constant can vary by more
than a factor of four. To calculate the dominant time constant from
static design calculations, two di!erent methods are discussed: the
retention time and the "change of inventory" time method. These methods
are experimentally verified.},
comment = {Apenas versão eletrônica.},
keywords = {Batch distillation; Dominant time constant; Distillation control;
Distillation modelling},
owner = {Paula},
pdf = {distillationColumn/Betlem:2000.pdf},
timestamp = {2006.08.24}
}
@ARTICLE{Betlem:1998,
author = {B. H. L. Betlem and J. E. Rijnsdorp and R. F. Azink},
title = {Influence of tray hydraulics on tray column dynamics},
journal = {Chemical Engineering Science},
year = {1998},
volume = {53},
pages = {3991--4003},
number = {23},
abstract = {To column control, in contrast to column design, tray hold-up and
dependencies of tray holdup on the operating conditions play an important
role. The essence of this article is the development of an improved
model of tray hydraulics over a broad operating range and its experimental
validation by means of batch distillation. First, the column dynamics
are related to tray column design parameters and operating conditions.
The model parameters are fitted by column residence time measurements.
Two tray load regimes are distinguished: an aeration regime and an
obstruction regime. At low column load a vapour increase will decrease
the tray mass since the liquid is driven out by larger aeration.
At high load the opposite is the case, since the liquid is driven
up by stowage. The resulting dynamic behaviour is studied by linearising
the
rigorous tray model in an operating point. Especially the influence
of the vapour flow on the column dynamics is investigated. For the
influence of the tray composition change on the molar mass, a new
composition-shift parameter k is defined. The influence appeared
to be small.},
comment = {versão impressa.},
keywords = {Tray hydraulics; distillation dynamics; column dynamics; column design;
distillation modelling},
owner = {Paula},
pdf = {distillationColumn/Betlem:1998.pdf},
review = {O artigo apresenta várias equações de hidrodinâmica. É baseado no
livro de Lockett.
Considera a massa de liquido do downcomer no cálculo da massa total
do prato. Apresenta outras equações de hidrodinâmica para deixar
a equação da massa de líquido do prato em função de variáveis simples.},
timestamp = {2006.08.15}
}
@ARTICLE{Biardi:1989,
author = {G. Biardi and M. G. Grottoli},
title = {Development of a new Simulation Model for Real Trays Distillation
Column},
journal = CCE,
year = {1989},
volume = {13},
pages = {441--449},
number = {4/5},
comment = {Foi adquirido na CIENTEC. Apenas cópia impressa.},
owner = {Paula},
review = {Este artigo trata de uma modelagem rigorosa baseada no conceito de
prato real. Dois aspectos são analisados: a modelagem físico-química
(transferência de massa e energia) e uma definição de eficiência,
e a estrutura matemática do modelo para propor um procedimento numérico
para a solução do sistema.
Um "dilema" apresentado é a complexidade de sistema matemático gerado
quando relações de transferência de massa inter e intrafases são
adicionadas ao sistema.
São listados os motivos pelo qual a modelagem de pratos reais (com
difusão e convecção de massa) não são utilizadas normalmente na modelagem:
1) o sistema de equações gerado se torna um problema numérico muito
pesado e delicado de ser resolvido 2) ainda não há um conhecimento
consolidado a cerca de simplificações possíveis nesse tipo de modelagem
de acordo com cada caso a ser modelado.
Foram implementados dois modelo rigorosos para simular colunas de
destilação multicomponente com pratos reais com diferentes níveis
de complexidade de detalhamento. O modelo A apresenta uma forma mais
simples (menos rigorosa) com coeficientes de transferência de massa
constantes para todos os componentes, um para o lado da fase líquida
e outro para o lado da fase vapor. O modelo B usa a equação de difusão
multicomponente de Maxwell-Stefan calculando os coeficiente de difusão
para ambas as fases através da matriz de coeficientes.
Estes dois modelos coincidem quando não há diferença entre os vários
coeficientes binários de difusão calculados.
Foram utilizados três sistemas para teste e três modelos foram comparados:
- Modelo com pratos de equilíbrio ideais
- Modelo A
- Modelo B
Como era de se esperar, o modelo B necessitou de mais tempo computacional.
Os modelos A e B apresentaram resultados parecidos, ambos com o número
de estágios necessários maior que o indicado pelo modelo convencional.}
}
@BOOK{Brennan:1989,
title = {Numerical Solution of Initial Value Problems in Differential-Algebraic
Equations},
publisher = {North-Holland},
year = {1989},
author = {Brennan, K. E. and Campbell, S. L. and Petzold, L. R. },
address = {New York}
}
@MASTERSTHESIS{Brooks:1993,
author = {Braden Alan Brooks},
title = {Modeling of a Distillation Column using Bond Graphs},
school = {The University of Arizona},
year = {1993},
abstract = {Modeling and simulating distillation columns is not a new enterprise.
All of the models described in the literature either contain algebraic
loops or simplifying assumptions that render the model ill-equipped
for dynamic simulations. The structure and the equations that represent
a trayed distillation column are explored using bond graphs. Bond
graphs model the power flow in a system, an inherently instructive
way to view complex systems. The power of bond graphs is evident
by providing a clear, graphical representation of a distillation
column that systematically organizes the equations and possible approximations.
The model of a distillation column is explored in general and then
by using a specific model developed by Steven Gallun. Results of
this study reveal several ways of eliminating the algebraic loops
and producing a dynamic model. The bond graph model can be expanded
by introducing other elements including chemical reactions and thermal
interaction with other columns.},
comment = {Apenas versão eletrônica.},
owner = {Paula},
pdf = {distillationColumn/Brooks:1993.pdf},
review = {No primeiro capítulo a operação de destilação é explicada. Na página
14 é apresentada uma definição interessante de componente chave leve.
No capítulo 2, é mostrada a modelagem baseada em equações de coluna
de destilação.
No capítulo 3 a modelagem via grafos -> ignorei!
Na seção 4.1, as primeiras modelagens de colunas são abordadas.
Na seção 4.2, apresenta o modelo base para a dissertação de Brooks,
o modelo de Gallun
No capítulo 5, conclusões sobre modelagem de colunas de destilação.},
timestamp = {2006.08.16}
}
@ARTICLE{Cameron:1986,
author = {I. T. Cameron and C. A. Ruiz and R. Gani},
title = {A Generalized Model for Distillation Columns - II - Numerical and
Computational Aspects},
journal = CCE,
year = {1986},
volume = {10},
pages = {199--211},
number = {3},
comment = {Foi adquirido na CIENTEC. Apenas cópia impressa.},
owner = {Paula},
review = {Neste artigo, são discutidos os aspectos numéricos envolvidos na solução
dos sistemas gerados pela modelagem de colunas de destilação.
São investigados aspectos estruturais do sistema como a esparsidade
e aspectos de estabilidade como a rigidez.
Duas classes de métodos de discretização são analisadas na solução
deste sistema: um método BDF (backward-differentiation) e um método
baseado em um RK (Runge-Kutta) implícito.
As conclusões do artigo apontam para o uso do método DIRK em problemas
onde não é necessário alta precisão e o método BDF onde se prefere
altas precisões.
OBS: Apesar de a modelagem dinâmica gerar um sistema DAE, na época
em que o artigo foi publicado não existiam solvers para este tipo
de sistema, apenas solvers para sistemas ODE's.
Assim, o sistema era dividido em variáveis diferenciais (acúmulos
de massa e energia) e variáveis algébricas (procedures).}
}
@ARTICLE{Carta:1995,
author = {R. Carta and G. Tola and A. Servida and M. Morbidelli},
title = {Error analysis of collocation models for steady-state multistage
separation units},
journal = {Computers and Chemical Engineering},
year = {1995},
volume = {19},
pages = {123--127},
number = {1},
abstract = {The stagewise collocation method is applied to reduce the full-order
models using for simulate multistage separation units. In particular
we refer to steady-state, high-puity (xd > 0.9999) and simmetric
(xb=1-xd) binary distillation columns. The performance of these reduced-order
models is represented in a master plot wich provides, rather syntetically,
the model error as a function of the reduction order.},
comment = {Apenas versão eletrônica.},
owner = {Paula},
pdf = {distillationColumn/Carta:1995.pdf},
review = {Não foi referenciado.},
timestamp = {2006.08.24}
}
@ARTICLE{Castillo:1998,
author = {F. J. L. Castillo and G. P. Towler},
title = {Influence of multicomponent mass transfer on homogeneous azeotropic
distillation},
journal = {Chemical Engineering Science},
year = {1998},
volume = {53},
pages = {963--976},
number = {5},
comment = {Apenas versão eletrônica.},
keywords = {Azeotropic distillation; residue curve maps; mass transfer; distillation
line maps},
owner = {Paula},
pdf = {distillationColumn/Castillo:1998.pdf},
review = {Artigo interessante caso queira saber mais sobre destilação com formação
de azeótropo. Não li o artigo por inteiro.
Não foi referenciado.},
timestamp = {2006.08.16}
}
@ARTICLE{Cervantes:1998,
author = {A. Cervantes and L. T. Biegler},
title = {Large-Scale DAE Optimization Using a Simultaneous NLP Formulation},
journal = {AIChE Journal},
year = {1998},
volume = {44},
pages = {1038--1050},
number = {5},
month = {May},
comment = {apenas versão eletrônica.},
owner = {Paula},
pdf = {optimization/Cervantes:1998.pdf},
timestamp = {2007.03.22}
}
@ARTICLE{Chang:1998,
author = {Byoungmu Chang and Seunghoon Lee and Hyeoktae Kwon and Il Moon},
title = {Rigorous Industrial Dynamic Simulation of a Crude Distillation Unit
Considered Valve Tray Rating Parameters},
journal = {Computers and Chemical Engineering},
year = {1998},
volume = {22},
pages = {S863--S866},
number = {Suppl.},
abstract = {A rigorous dynamic simulation is performed to find optimal operating
conditions of a crude distillation unit with 56 trays and 65,000
barrel per day capacity. The model includes not only mass and energy
balance equations but also nonlinear equations capturing the fluid
behavior in the column such as downcomer load, jet flooding, hole
velocity limit and downcomer backup. Discrete behavior of pump and
heater on/off, valve open/close are also included. Hundreds of thousand
differential algebraic equations(DAEs) are set up and solved by gPROMS
simultaneously. As a result. the dynamic behavior of the unit during
the starting and shutdown procedure is fully understood.},
comment = {Versão impressa.},
keywords = {Rigorous dynamic simulation, Valve tray rating parameters. Dynamic
behavior},
owner = {Paula},
pdf = {distillationColumn/Chang:1998.pdf},
review = {A modelagem básica não apresenta novidades...o que difere dos outros
artigos é a modelagem baseada nas válvulas dos pratos. Nos balanços
é considerado o arraste de líquido.
Apenas estão presentes as considerações e parâmetros das válvulas
a serem considerados. Não é apresetando o equacionamento.},
timestamp = {2006.08.16}
}
@ARTICLE{Cho:1984,
author = {Y. S. Cho and B. Joseph},
title = {Reduced order Models for separation Columns - III - Aplication to
columns with multiple feeds and sidestreams},
journal = {Computers and Chemical Engineering},
year = {1984},
volume = {8},
pages = {81--90},
number = {2},
abstract = {Reduced order dynamic models for distillation columns are developed
using the polynomial approximation method (orthogonal collocation).
The discontinuities in column profiles introduced by feeds and sidedraws
are partially removed through suitable redefinition of variables,
thus enabling the column profiles to be fitted with a single polynomial
across the entire column. The strengths and weakness for these reduced
order models are explored by application studies in multicomponent
distillation. These included a nonideal system of four components.
The accuracy and efficiency of the reduced models are also compared
with simulation results obtained using a dynamic modela developed
at Monsanto Company.},
comment = {Apenas verão impressa. Retirado da CIENTEC.},
owner = {Paula},
timestamp = {2006.09.04}
}
@ARTICLE{Dave:2003,
author = {Dhaval J. Dave and Murtuza Z. Dabhiya and S.V.K. Satyadev and Saibal
Ganguly and Deoki N. Saraf},
title = {Online tuning of a steady state crude distillation unit model for
real time applications},
journal = {Journal of Process Control},
year = {2003},
volume = {13},
pages = {267--282},
abstract = {The steady state simulators, used for on-line performance prediction
and for on-line optimization in crude distillation units are often
sensitive to small variations in the feed composition, which is specified
in terms of a True Boiling Point (TBP) vs volume percent distilled
curve. The exact feed TBP is often not available during the plant
operation. Also stratification of raw crude oil into layers in the
large tank farm sections cause severe operating problems in terms
of the stability of the column. If feed TBP can be predicted online,
necessary feedforward action can considerably reduce the operating
problems. A model has been developed for backcalculation of feed
TBP using measured plant parameters. A heat balance is performed
around an envelope encompassing the rectifying section of the fractionator
and is followed by the calculation of Equilibrium Flash Vaporization
(EFV) temperatures at six different locations of the column which
are correlated with corresponding feed TBP temperatures. The second
part of model tuning consists of calculating model parameters in
the form of point efficiencies so as to minimize the discrepancy
between the simulator predicted and measured column parameters which
arises out of modelling approximations such as assumption of phase
equilibria at each stage and use of imperfect thermodynamics correlations.
The simulator results, after tuning, were found to match the plant
measurements within two percent in all the cases investigated. The
simulator output was used to predict various product properties using
a Property Prediction package and these were also found to match
well with those of laboratory measurements.Both the backcalculation
of feed TBP and the efficiency tuning need to be implemented on-line
for inferential control and supervisory optimization.},
comment = {Apenas versão eletrônica.},
keywords = {Online tuning; Crude distillation; Crude TBP backcalculation; Distillation
model tuning},
owner = {Paula},
pdf = {distillationColumn/Dave:2003.pdf},
review = {Não foi referenciado.},
timestamp = {2006.08.24}
}
@ARTICLE{Diwekar:1987,
author = {U. M. Diwekar and R. K. Malik and K. P. Madhavan},
title = {Optimal reflux rate policy determination for multicomponent batch
distillation columns},
journal = {Computers and Chemical Engineering},
year = {1987},
volume = {11},
pages = {629--637},
number = {6},
abstract = {This paper describes a procedure to obtain optimal reflux or optimal
distillate rate policy for multicomponent batch distillation columns
using the Pontryagin's continuous maximum principle. For application
to multicomponent systems, a reduced order model is used using short-cut
procedure develop specially for analysis and design of batch columns.},
comment = {Apenas versão impressa. Retirado da CIENTEC.},
owner = {Paula},
timestamp = {2006.09.04}
}
@MASTERSTHESIS{Domingues:2005,
author = {Tito Livio Domingues},
title = {Avaliação da eficiência de pratos valvulados com downcomer e pratos
dualflow em colunas de destilação industriais},
school = {Universidade Federal do Rio Grande do Sul, Escola de Engenharia,
Departamento de Engenharia Química},
year = {2005},
owner = {Paula},
timestamp = {2007.08.15}
}
@BOOK{Eckel:2000,
title = {Thinking in C++},
publisher = {Prentice Hall},
year = {2000},
author = {Bruce Eckel},
volume = {1},
edition = {2nd},
month = {April},
comment = {Versão impressa.},
owner = {Paula},
timestamp = {2006.10.11}
}
@ARTICLE{Eckert:1995,
author = {E. Eckert and M. Kubicek},
title = {Dynamic Simulations of a Distillation with multiple liquid phases},
journal = {Computers and Chemical Engineering},
year = {1995},
volume = {19},
pages = {S393 --S398},
number = {Suppl.},
abstract = {A rigorous mathematical model of dynamical behaviour of a distillation
column with a possible occurrence of several (e.g. three ) liquid
phases on individual trays is described. The generalized model is
based on the concept of the equilibrium tray. By solving the algebraic
part of DAE system, the phase situation is tested and the system
is changing adaptively in the course of the integration. Examples
of a distillation of mixtures with possible existence of two and
three liquid phases are presented.},
comment = {Apenas versão eletrônica.},
keywords = {Distillation; equilibrium stage column; dynamic model; multiple liquid-vapour
equilibrium; phase splitting},
owner = {Paula},
pdf = {distillationColumn/Eckert:1995.pdf},
review = {Apresenta um equacionamento que permite a predição de mais de uma
fase líquida em equilíbrio.
Artigo muito bom!!!},
timestamp = {2006.08.16}
}
@ARTICLE{Eckert:2001,
author = {Egon Eckert and Tomás Vanek},
title = {Some aspects of rate-based modelling and simulation of three-phase
distillation columns},
journal = {Computers and Chemical Engineering},
year = {2001},
volume = {25},
pages = {603--612},
abstract = {The application of the bate-based approach to the dynamic and stationary
modelling of three-phase distillation columns is presented. The main
problem can be seen in finding adequate models for the mass and heat
transfer over phase interfaces to be utilised in the Maxwell-Stefan
equations. While for the vapour-(continuous) liquid interface, there
are a number of methods and data available, the interface between
continuous and dispersed liquid phases has not been studied for the
case of distillation processes. A reasonable alternative approach
to modelling of a three-phase distillation column can be found where
the
liquid-liquid interface is treated as equilibrium. The adequacy of
this modification is supported by phenomena observed on distillation
trays, e.g. strong agitation of liquid phases. The resulting combined
non-equilibrium and equilibrium model is compared to the classical
equilibrium model and also to experimental data for ethanol-water-cyclohexane
separation in a number of examples.},
comment = {Apenas versão eletrônica.},
keywords = {Rate-based approach; Three-phase distillation; Non-equilibrium tray
model; Simulation},
owner = {Paula},
pdf = {distillationColumn/Eckert:2001.pdf},
review = {Rate-based = non equilibrium
O foco do artigo é a separação com três fases de equilíbrio (V-L1-L2).
A modelagem (balanços...) é apresentada por partes, dividida conforme
as fases consideradas: fase vapor, fase líquida (contínua e dispersa)
, interface líquido-vapor.
Ler mais atentamente a parte de exemplos e conclusões.
Excelente artigo!},
timestamp = {2006.08.16}
}
@ARTICLE{Eiden:1997,
author = {Ulrich Eiden and Stephan Scholl},
title = {Use of Simulation in Rating and Design of Distillation Units},
journal = {Computers and Chemical Engineering},
year = {1997},
volume = {21},
pages = {S199--S204},
number = {Suppl.},
abstract = {The appropriate level of modelling detail in steady state flowsheet
simulations is an important question for the calculation of thermal
separation operations such as absorption, distillation, and liquid/liquid
extraction. The generation of consistent mass and energy balances
may often be performed employing standard implementations for the
various unit operations. Surprisingly, operability and sensitivity
aspects of the process may be estimated with the help of black box
mass balance cosiderations. As soon as flowsheet simulation is to
serve as a basis for the rating of existing or the design of new
distillation units, the level of modelling detail has to be increased
significantly and a Complex Topology Simulation (CTS) is required.
Thus, the level of the modelling detail depends strongly on the current
project state as well as the information desired. These aspects will
be discussed through four examples of practical relevance concerning
distillation feed sections and liquid distributors, reboiler section,
condensation stage and operability aspects.},
comment = {Apenas versão eletrônica.},
owner = {Paula},
pdf = {distillationColumn/Eiden:1997.pdf},
review = {Não foi referenciado.},
timestamp = {2006.08.24}
}
@ARTICLE{Elgue:2004,
author = {S. Elgue and L. Prat and M. Cabassud and J.M. Le Lann and J. Cézerac},
title = {Dynamic models for start-up operations of batch distillation columns
with experimental validation},
journal = CCE,
year = {2004},
volume = {28},
pages = {2735--2747},
abstract = {The simulation of batch distillation columns during startup operations
is a very challenging modelling problem because of the complex dynamic
behaviour. Only few rigorous models for distillation columns startup
are available in literature and generally required a lot of parameters
related to tray or pack geometry. On an industrial viewpoint, such
a complexity penalizes the achievement of a fast and reliable estimate
of start-up periods. In this paper, two "simple" mathematical models
are proposed for the simulation of the dynamic behaviour during startup
operations from an empty cold state. These mathematical models are
based on a rigorous tray by tray description of the column described
by conservation laws, liqui/vapour equilibrium relationships and
equations representative of hydrodynamics. The models calibration
and validation are studied through experiments carried out on a batch
distillation pilot plant, with perforated trays, supplied by a water
methanol mixture. The proposed models are shown by comparison between
simulation and experimental studies to provide accurate and reliable
representations of the dynamic behaviour of batch distillation column
startups, in spite of the few parameters entailed.},
comment = {Versão Impressa.},
keywords = {Dynamic simulation, Batch distillation column, Startup operation,
Experimental validation},
owner = {Paula},
pdf = {distillationColumn/Elgue:2004.pdf},
review = {O objetivo deste artigo é estudar, simular e validar o comportamento
dinâmico de uma coluna de destilação em batelada, durante a sua partida,
utilizando dois modelos diferentes.
É citado o procedimento necessário para rodar uma partida: a detecção
de eventos. (Problema que não tenho no EMSO)
A modelagem hidráulica não é capaz de prever gotejamento, arraste
e inundação.
Fornece uma forma interessante de representar a eficiência de MURPHREE.
Como se a corrente de vapor fosse dividida em duas. e*V é a corrente
que entra no cálculo de equilíbrio e (1-e)*V é a corrente que by-passa
o prato indo direto para o prato acima. A eficiência de Murphree
representa essa fração "e".
Explica com detalhes a procedimento de partida de uma coluna batelada.
Com um modelo simplificado é gerado um parâmetro chamado de razão
de enchimento do prato que representa o valor de holdup de líquido
em que o prato já está cheio o suficiente para começar a gerar vapor
para entrar no prato de cima. Antes deste parâmetro atingir o valor
especificado, todo o vapor que chega ao prato condensa imediatamente
contribuindo para o acúmulo de líquido.
No modelo realístico, o vapor que sobre para os pratos condensa na
parede de prato e cai para o prato abaixo até que o prato encha e
a parede do prato esquente. Depois disso o vapor sobe mais um prato
e assim por diante até que todos os pratos encham. O modelo realístico
necessita de dados sobre o prato para calcular o seu aquecimento.
Estes modelos foram validados com dados experimentais retirados de
uma coluna batelada piloto.
Como conclusão: o modelo simplificado apresenta bons resultados e
necessita de menos dados do equipamento. Já o modelo realístico apresenta
resultados mais precisos porém requer mais detalhamento do equipamento
e é mais demorado.}
}
@PHDTHESIS{Feehery:1998,
author = {William Fracis Feehery},
title = {Dynamic Optimization with Path Constraints},
school = {Massachusetts Institute of Technology},
year = {1998},
month = {June},
comment = {Apenas versão eletrônica.},
owner = {Paula},
pdf = {optimization/Feehery:1998.pdf},
review = {No capítulo 8 é apresentada a modelagem de coluna de destilação.},
timestamp = {2007.03.20}
}
@ARTICLE{Fletcher:2000,
author = {R. Fletcher and W. Morton},
title = {Initialising Distillation Column Models},
journal = CCE,
year = {2000},
volume = {23},
pages = {1811--1824},
abstract = {Difficulties associated with the optimisation of distillation column
models by non-linear programming are considered. The paper presents
a systematic procedure to enable these difficulties to be overcome
and proposes a particular formulation of the distillation column
model. A certain limiting case of the column model is examined, that
of infinite reflux or zero feed. This limiting case considerably
simplifies the model and provides a system of non-linear equations
that is readily solved. The solution of this problem gives useful
information about the purity that can be achieved in the general
case and the number of plates needed
to attain a given level of purity. The limiting problem provides starting
values for the solution of the general column and suggests a homotopy
that can be followed if difficulties arise in obtaining convergence.
To obtain a stable form of the limiting case requires the general
column model to be formulated in a certain way, which to our knowledge
has not previously been considered. The ideas have been successfully
tested on various multi-column flowsheets involving distillation
columns with heat integration.},
comment = {Versão impressa.},
keywords = {Distillation column, Mathematical model, Zero-feed column; Non-linear
programming, AMPL},
owner = {Paula},
pdf = {distillationColumn/Fletcher:2000.pdf},
review = {O artigo apresenta uma nova modelagem para facilitar a inicialização
do sistema a fim de utilizar rotinas de otimização. Ele propõe a
análise de dois casos limites (refluxo infinito e alimentação zero)
para a geração de valores iniciais para as variáveis para solução
de otimização via NLP. Ele diz também que o resultado da análise