Professional Documents
Culture Documents
Thermodynamic Properties For The Simulation of Crude Oil
Thermodynamic Properties For The Simulation of Crude Oil
com
ISSN: 2248-9622, Vol. 4, Issue 4 (Version 1), April 2014, pp.190-194
ABSTRACT
Commonly, the use of simulators in the industry is performed without having a proper theoretical support.
Sometimes this situation is a consequence of both, lack of time and the dairy dynamism required in the refinery
industries. Particularly, the application of thermodynamic models is often not properly considered for the
specific process under analysis. An undesirable fact can appear, for example, when a wrong properties package
is chosen or even more when this selection step is completely ignored.
The aim of this article is to prove that the habitual selection of the thermodynamic models is appropriate or not
for the primary refining process. For the purpose, two available simulation softwares and thermodynamic
models have been analyzed. The research paper focuses on establishing a guide for plant operators with
information that has been previously proven, with theoretical support.
In particular, for the oil crude atmospheric distillation (Topping), engineers use almost by default the Peng–
Robinson thermodynamic package in Aspen Hysys simulator and Chao–Seader in Aspen Plus. Although the use
of the thermodynamic property packages involves a whole theoretical support, this is not considered at the time
of their election.
Keywords - Crude oil, Distillation, Simulation, Thermodynamic Properties, Topping.
I. INTRODUCTION
A simulation procedure can be defined as • Flowsheet section, related with the flows and
the virtual representation of a process through a equipment under analysis.
mathematical model that describes a physical – • Operating units section, for the realization of
chemical phenomenon. This recreation allows matter and energy balances in the different units
obtaining information of the process behavior in of operation.
different scenarios. The technique has become • Output Generator section, it returns a whole
essential for the accurate execution of industrial report of the simulation results.
plants design, its optimization and operation. An • Calculus sequence section that controls the
engineer can quickly define a complex flowsheet and calculation sequence and the simulation
all of the process conditions [1]. convergence.
A process simulator is an instrument that The functionalities are integrated with the
offers the numerical solution of a mathematical aim of making a simulation case a rapid and easy
model, which includes elements such as [2]: work. The market develops better, more sophisticated
• Components database, which contains the and particular applications for the specific cases in
needed values for the calculation of physical processes engineering. These tools help the
properties starting from the thermodynamic researches to purpose new alternatives for the
models. solution of the optimization problems.
• Thermodynamic models section, that offers a
wide range of options for the calculation of 1.1 THERMODYNAMIC PROPERTIES
liquid-vapor (LVE) and liquid-liquid (LLE) The simulation model consists of a group of
equilibriums, enthalpies and other equations that characterize the operating units
thermodynamic properties. behavior in a process. These equations have a
www.ijera.com 190 | P a g e
Juan Pablo Gutierrez et al. Int. Journal of Engineering Research and Applications www.ijera.com
ISSN: 2248-9622, Vol. 4, Issue 4 (Version 1), April 2014, pp.190-194
considerable quantity of terms related to physical and II. ANALYSIS OF THE AVAILABLE
thermodynamic properties of the components and the MODELS
mixtures involved. Therefore, it is indispensable to AspenTech is a provider of smart
include in the simulation case a group of equations manufacturing and supply chain management
for the calculation of these properties. The group of software and services for the process industries. Their
variables to specify includes values of temperature, simulation products use the concept of
pressure, composition and certain empirical values ‘Thermodynamic Package’ or ‘Fluid Package’ (FP)
for each of the components in all of the process as the content of the information required for the
streams. calculation of physical, thermodynamic and
Any of the simulation case performed transportation properties. A FP allows users to
requires knowing the physicochemical and organize all the information (properties, components,
thermodynamic mixture properties values. This is hypothetical components, interaction parameters,
required for all the components to employ in the reaction, tabled data, etc.) into a simple internal file.
process. The values are needed for all of the A package consists of a thermodynamic model for
conditions –composition, pressure and temperature– the properties calculation, especially for the liquid-
that can appear in the normal operation of an vapor equilibrium (LVE). Three advantages can be
industrial plant. In the industry, this situation is in listed as the consequence of the use of a package:
fact unlikely to occur due to the dynamism and the All the information associated is defined as a
big quantity of values studied [2]. block, which allows the easy creation and
A good selection of the techniques will be modification of the needed data.
essential for an accurate analysis of devices and The FP can be stored as a full file to be used at
streams presented in this simulation case. It is not more than one simulation case.
enough to have the most sophisticated available Several FP can be used in the same simulation
simulator in the market, if a wrong method choice is case. And all of them can be found into the
done, in that case, wrong or imprecise results will be administrator of the simulators.
ever obtained. AspenTech offers two of the more relevant
Evidently, it is impossible to evaluate what simulators of processes available in the market for
package is necessary for all of potential component the chemical industry. These simulators are Aspen
mixtures performing in a simulation. The only Plus y Aspen Hysys. Each of them recommends the
solution is to face the question in a general way, more appropriate method for a process in particular
establishing a criteria selection, with an acceptable [1]. This information can be reached by consulting
range of application. the support section of each of the software. For
Thermodynamic properties of any accessing to this support, the ‘Assistant - Property
component depend on the nature of its molecules. Method Selection’ (APMS) option is available in
Therefore, in order to make a generalization of fluids both simulators. The precise way for accessing to this
properties, a whole comprehension of the molecules section will be described later in this article [3][4].
behavior is required. Unfortunately, this
comprehension is not in hand yet. Available
III. RECOMMENDED MODELS FOR
theoretical sources for the estimation of the properties
are of rational type -based on thermodynamic laws THE PRIMARY DISTILLATION
and molecular behavior kinetic theory-, empirical PROCESS
type -based on the correlation of experimental data When a thermodynamic option is selected,
for mathematical media-, and mixed type, or the the model and other associated models are used for
combination of both mentioned classes. Completely the calculation of thermodynamic and transport
empirical correlations are often very useful but its use properties. These last are needed to develop the
has to be avoided outside the variables range simulation case. In the oil industry, the equations of
considered for its deduction. Generally, the reliability state (EOS) have played a central role in the
of a correlation relies upon how solid is its theoretical thermodynamic modeling of vapor-liquid equilibrium
basis, particularly when the correlation has been (LVE) of hydrocarbons (HC). Nevertheless, EOSs
extensively proved with experimental data. However, tend to offer inaccurate results under certain
when the theoretical base is not solid, it is conditions.
recommendable to base the estimations in For these cases, special thermodynamic
experimental data. models may be used. In all of the cases, Aspen Plus y
Hysys simulators offer the needed support in order to
choose the best thermodynamic package for each
case. This support guide is executed by means of
their respective assistants.
www.ijera.com 191 | P a g e
Juan Pablo Gutierrez et al. Int. Journal of Engineering Research and Applications www.ijera.com
ISSN: 2248-9622, Vol. 4, Issue 4 (Version 1), April 2014, pp.190-194
www.ijera.com 193 | P a g e
Juan Pablo Gutierrez et al. Int. Journal of Engineering Research and Applications www.ijera.com
ISSN: 2248-9622, Vol. 4, Issue 4 (Version 1), April 2014, pp.190-194
For petrochemical or gas and oil simulator compensates it with their wide crude
applications, the PR EOS is generally the database from all around the world. Its application
recommended property package. This EOS can be has to be avoided for outside its valid range. Aspen
accurate for a wide range of system conditions. It Tutorial recommends the use of the CS model
solves rigorously any single, two-phase or three- because its application is reliable thanks to their wide
phase system with a high degree of efficiency and source of information.
reliability.
REFERENCES
3.2 CHAO-SEA ANALYSIS [1] Carlson E.C. Don’t Gamble with Physical
CS package uses the CS-RK method for the Properties for Simulations. Chemical
LVE calculation and the Lee Kesler method for the Engineering Progress, Octubre 1996.
calculation of Enthalpy and Entropy. Fugacity [2] León Cohen, Diseño y simulación de
coefficients in the vapor phase are calculated by procesos químicos, (León Cohen Mesonero,
means of the ‘corresponding-states principle’. Special 2da Edición Ampliada y modificada.
functions are incorporated for the calculation of España, 2003).
fugacity values in the liquid phase. In Aspen Plus [3] Galen J. Suppes, Selecting thermodynamic
simulator, Chao-Sea thermodynamic package uses: models for process simulation of organic
• The Chao-Seader correlation for the activity VLE and LLE systems. Department of
coefficient in the reference state. Chemical Engineering, University of
• Scatchard-Hildebrand model for the activity Missouri-Columbia.
coefficient. [4] Aspen Hysys V 7.3 Tutorial. AspenTech.
• Redlich - Kwong equation of state for the vapor [5] AspenPlus V 7.3 Tutorial. AspenTech.
phase properties. [6] E Cidre, P. Freedman, D. Gómez and L.
• Equation of state for the liquid and vapor Kichic, Metodología para la selección de
enthalpies. correlaciones termodinámicas para el
• API method for the molar liquid volume, equilibrio de fases aplicada al simulador
viscosity and surface tension. Hysys, Facultad de Ingeniería UBA,
Chao-Seader thermodynamic package must Argentina.
be used for heavy hydrocarbons, with pressure lower
than 10342 kPA (1500 psia), and a temperature range NOMENCLATURE
of -17.78 to 260°C (0 to 500 F). It is used for vapor FP Fluid Package
systems. Also, it can be used for three phase flashes APMS Assistant - Property Method Selection
but restricted to the use of pure water in the second EOS Equation of State
liquid phase. For example, it is recommended to use RK Redlich – Kwong
the CS for cases in which water vapor or liquid are PR Peng – Robinson
the main components. This is because the package LLE Liquid – liquid equilibrium
includes specific correlations that represent the vapor CS Chao – Seader
tables in a precise way. LVE Vapor – liquid equilibrium
The Chao-Sea thermodynamic package is HC Hydrocarbons
predictive and is developed for hydrocarbon mixtures API American Petroleum Institute
with light gases (CO2 or SH2). It can be used for P Pressure
crude towers, vacuum towers and ethylene process R Ideal gas constant
parts. This model is semi empirical, based on a wide V Volumen
source of hydrocarbon data. a Function
b Constant
IV. CONCLUSION Function
Aspen Hysys simulator uses the PR Symmetric binary interaction parameter
equation, which is modified following the ‘mixing Acentric factor
rules’, valid for complex systems as oil crude and TC Critic Temperature
their cuts. Generally, the more solid is the theoretical
base of a correlation, the more reliable it results. PC Critic Pressure
Particularly speaking, this correlation was widely Tr Reference
proved and, their results were compared with those
obtained in real cases of the oil crude primary
distillation process.
Aspen Plus uses the Chao-Sea model.
Although the theoretical base is not solid, this
www.ijera.com 194 | P a g e