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Best Practice

SABP-Z-018 16 November 2014


Steady State Process Modeling
Document Responsibility: Process Optimization Solutions Systems Committee

Saudi Aramco DeskTop Standards


Table of Contents

1 Introduction..................................................... 2
2 Conflicts with Mandatory Standards............... 2
3 References..................................................... 2
4 Definitions....................................................... 3
5 Acronyms and abbreviations.......................... 3
6 Model Development....................................... 4
7 Thermodynamics............................................ 5
8 Components Slate Characterization.............. 8
9 Developing Petroleum Pseudo Components.. 9
10 Unit Operations………………………..…..…. 12
11 Logical Operations…………………….…….. 20
12 Flow Sheeting Topology.............................. 21

Appendices
Appendix B – Simulation Platforms:
Recommended Vendor List (RVL)....... 23

Previous Issue: 26 September 2012 Next Planned Update: TBD


Revised paragraphs are indicated in the right margin Page 1 of 23
Primary contact: Kadhim Mohammed on 966-13-880-8032

Copyright©Saudi Aramco 2014. All rights reserved.


Document Responsibility: Process Optimization Solutions Standards Committee SABP-Z-018
Issue Date: 16 November 2014
Next Planned Update: TBD Steady State Process Modeling

1 Introduction

Process Modeling and Simulation has evolved in the last twenty years from merely an
applied mathematical science into many corporates business decisions tools. It is
transcending the exclusive domain of the technologist to become an everyday
collaborative and decision support tool used by plant operators, supervisors, planners,
and managers. It is proving that using simulation on an enterprise-wide basis promotes
knowledge sharing and improves everyday production and business decisions.

Process modeling and simulation applied throughout the lifecycle of an asset has
traditionally been the domain of experts. The models that they develop embody and
codify process knowledge captured by an organization. As such, these models have
tremendous intrinsic value. Process models are developed at early phases of project
feasibility analysis and evolved through design, construction, and commissioning of the
plant life cycle. Process models increasing applications that go beyond this traditional
area of application to include evaluations for Process plant expansions, capital
investment options, cycle time reduction and safety.

Industrial processes can also be divided into continuous and discrete processes or
combinations of these. The discrete process simulation is related to products scheduling
and distributions. The continuous process which represents the day to day plant
operation is divided into steady state and dynamic state. The process simulation
covered in this work is limited to the simulation of continuous processes. Furthermore,
the simulation of continuous processes can be divided into steady state and dynamic
simulation. The field of process industry is broad covering such sectors as water
treatment, food industry, pharmaceutical industry, energy industry, metallurgical
industry, pulp and paper industry, oil refining industry and so forth.

2 Conflicts with Mandatory Standards

The best practice is developed in alignment not to conflict with other Mandatory Saudi
Aramco Engineering Standards Requirements; the Mandatory Saudi Aramco
Engineering Standards Requirements shall govern.

3 References

In case of specific sections of this document are referenced within the body of the
document (SAEP-364). Material or equipment supplied to this best practice, shall comply
with the referenced sections of the latest edition of these specifications. Where specific
sections are not referenced, the system shall comply with the entire referenced document.

 Saudi Aramco Engineering Procedure


SAEP-364 Process Simulation Model Development and Support

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Document Responsibility: Process Optimization Solutions Standards Committee SABP-Z-018
Issue Date: 16 November 2014
Next Planned Update: TBD Steady State Process Modeling

4 Definitions

Process; is a sequence of chemical and physical operations for the conversions,


transport or storage of material and energy. Process Modeling is a mathematical model
of one or more interconnected process components. An experiment can be applied to a
process model in order to answer questions about the process. Process model
development may include both model configuration and model development
methodology (i.e., defining process structure and behavior). Development methodology
can be based on the first principle fundamental or other alternative experimental and
empirical modeling. Process simulation; is an experiment made with a process model
that represent a snapshot of a single or multiple operating design / operating parameters.

The term process modeling refers to the mathematical representation of the physical
system using physical-chemical (thermodynamics) relations of the process. The steady
state modeling refers to conservation of mass and energy (i.e., no. of system’s input
moles/energy is equal to the number of output moles/energy, no accumulations).
Simulation is a scenario of the mathematical models at specified conditions and
parameters.

5 Acronyms and Abbreviations

This section contains definitions for acronyms, abbreviations, words, and terms as they
are used in this document:
APISOUR Wilson’s Activity Coefficient Model
ASME Compressor Design Based Association of Mechanical Engineer
BK10 Braun K-10 K-value Correlations
BP Boiling Point
BWRS Modified Benedict-Webb-Rubin Equation of State by Starling
DIPPR Design Institute for Physical Property Data
EOS Equation of State
FCCU Fluid Cat-Cracking Unit
GERG2008 Equation of State for Natural gas mixtures
GPSA Compressor Design Based Gas Processors Suppliers Association
GS Grayson-Streed
HCRU Hydrocracking Refinery Unit
HTC Heat Transfer Coefficient or U

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Document Responsibility: Process Optimization Solutions Standards Committee SABP-Z-018
Issue Date: 16 November 2014
Next Planned Update: TBD Steady State Process Modeling

Kj Component j Vapor to Liquid Equilibrium Ratio


LKP Lee-Kesler Plocker
LMTD Log Mean Temperature Difference
MW Molecular Weight
NBP Normal Boiling Point
NBS National Bureau of Standards Steam Tables
NPSH Net Positive Suction Head
NRTL Non-Random Two-Liquid Activity Coefficient Model
PR Peng Robinson
PRSV Peng-Robinson Stryjek - Vera
RefPROP NIST Equation of State for Refrigerant Properties Calculation
SABP Saudi Aramco Best Practice
SG Specific Gravity
SRK Soave, Redlich-Kwong
TBP True Boiling Point
UA Overall Heat Transfer Coefficient x Area
UC Clean Heat Transfer Coefficient
UD Design Heat Transfer Coefficient
UNIQUAC UNIversal QUAsi- Chemical Equation for Multicomponent Liquid Phase
Activity Coefficient
ZJ Zudkevitch Joffee

6 Model Development

The steady state model development can be categorized based on the objectives.
These include:

Design and ratings: first principle models are constructed for design and equipments
ratings. The Models workflow is based on the process thermodynamic equilibrium and
equipments geometrical induced effects. Initially, the model is developed to support the
process conceptual design. Once process equipments are selected the design and ratings
model is expanded to include vendor information such as vessel sizes, pump curves,
compressor curves, Heat Exchanger / Air cooler / Fired heater geometry, Column &
Tray details and catalyst reaction kinetics.

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Document Responsibility: Process Optimization Solutions Standards Committee SABP-Z-018
Issue Date: 16 November 2014
Next Planned Update: TBD Steady State Process Modeling

Troubleshooting and optimization: first principle model with objectives of estimating


some design and operating parameters based on process changing conditions and / or
changing process economics. The model is built and validated to identify plant and
process constraints, bottlenecks and estimate equipments capability at its current
condition to allow plant operation within the safe operating window. Additionally, the
model can be used for offline and online process optimization framework.

Base case for dynamic model: steady state models built for further development into
the dynamic state do require additional data other than the operating conditions.
Data required are the realistic pressure profile across the flowsheet and driven by
equipments rating base. Additionally, reasonable volume hold up in each of the
equipment is very vital especially if the dynamic model is required for process control
and compressor surge analysis.

The settings of pressure and temperature profiles across the flow sheet and also for
distillation column initial solution set up are very important to achieve accuracy and
reaching a converged solution. The pressure profile set up is either assumed based on
accurate assessment or set up the model hydraulic calculation across the flowsheet to
enable enough flexibility in the model to cover a wide range of operating scenario.

Models shall be developed using simulation platform that is recommended by Saudi


Aramco’s P&CSD Recommended Vendor List (RVL) see Appendix A.

7 Thermodynamics

Thermo dynamical correlations and physical properties are the basic driving force that
determined the process flowsheet structure and meeting the required separation and/or
reactor’s conversions and throughput. The selection of thermodynamic correlation
depends on the stream mixture of components, operating conditions and type of process.
Most hydrocarbon tend to behave ideally with the exception of mixture contains
Hydrogen.

Thermodynamic data include vapor-liquid equilibrium ratios (Kj values), enthalpies, and
entropies. These properties are necessary for the unit operation calculations. Entropies
are used for isentropic calculations such as compression and expansion.

The Kj values of any given system of components are a function of the temperature,
pressure, and composition of the system. The calculations of Kj using thermodynamic
physical properties include:
 Equation of State (EOS) (e.g., Peng Robinson, SRK, BWRS, Lee-Kesler Plocker,
etc…)
 Liquid Activity Coefficients (e.g., NRTL, UNIQUAC, Wilson, etc…)

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Document Responsibility: Process Optimization Solutions Standards Committee SABP-Z-018
Issue Date: 16 November 2014
Next Planned Update: TBD Steady State Process Modeling

 Vapor Pressure Model ( e.g., Antoine)


 Steam (e.g., ASME steam and NBS steam)
 Amine system empirical correlation

Physical and transport properties for the feed and product streams may be calculated
using the individual component contributions. Those properties include; total flow,
molecular weight, and stream density. Transport properties such as the viscosities,
thermal conductivities, and liquid surface tension are computed using the above physical
correlation. ASPEN PLUS provides several set of options or property methods, that is,
combinations of methods for calculating the thermo physical and transport properties.
The property methods can be modified by replacing one or more of the methods for use in
a simulation. It is also possible to define an entirely new property method. Furthermore,
each process unit in the flowsheet can be simulated using a different property method. In
this case, the enthalpy and pressure of a connecting stream are preserved, but the other
properties (temperature, density, etc.) differ for the stream in the models for the process
units. HYSYS can facilitate to have several sets of physical properties. The feature of
stream cutter tool would allow similar feature.

Selecting the specific physical property method would depend on the process as well as
the mixture of components. Commercial software the like of Aspen Tech’s HYSYS
and ASPEN PLUS and Invensys’s ProII provide a comprehensive guide on the matter.
Following are some of specific applications with what is appropriate:
a. Light hydrocarbon System (i.e., Gas Plant and NGL); Peng Robinson (PR), Soave
Redlich Kwong (SRK). Sour option of PR and SRK are used if the system
contains hydrogen sulfite H2S.
b. Heavy Hydrocarbon System (i.e., Refining Processes); Grayson Streed, BK10, PR
and SRK both should be utilizing Lee Kesler enthalpies.
c. Hydrogen Rich System (i.e., Hydrogen Plant and Hydro-processing; PR and SRK
d. Sour Water System (sour water with NH3, H2S, CO2); Sour PR, Sour SRK, and
APISOUR
e. Gas Compression System; PR, SRK with Lee Kesler enthalpies, and BWRS for
conditions of pressure higher than 600 psig.
f. Light Hydrocarbons Dissolved in Water; Kabadi-Danner SRK.
g. Hydrocarbon Dehydration System; Glycol package
h. Hydrocarbon Sweetening System (removal of H2S and CO2); Kent Eisenberg
Amine model.
i. Steam Systems; ASME and NBS packages
j. Cryogenic and Air Separation Systems; RefPROP, GERG2008

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Document Responsibility: Process Optimization Solutions Standards Committee SABP-Z-018
Issue Date: 16 November 2014
Next Planned Update: TBD Steady State Process Modeling

 Other Specific Thermodynamic Consideration


a. Equation of states are always more accurate than the empirical and semi-
empirical methods. In addition, they are more consistent than liquid
activity coefficients.
b. Grayson and Streed has approximate limits of 800F (427C) and 3000 psia.
The method cannot predict critical point behavior and should never be used
for system that may approach the critical point.
c. Non-hydrocarbon light gases which include; H2, N2, CO, CO2, SO2, H2S,
and NH3. Their presence in petroleum processes can cause the mixture
with non-ideal behavior.
d. Hydrogen has strange behavior, as it cannot be condensed, but it can be
dissolved in Hydrocarbons at high pressures. The PR and SRK methods
predict better solubility in hydrocarbon liquids than the Grayson-Streed
method which is being widely used in modeling refinery processes.
e. Water has an important partial pressure effect with hydrocarbons in columns
with stream stripping. Its heat capacity is approximately twice that of
hydrocarbons and the latent heat is five times as large as hydrocarbons.
An accurate steam flow is necessary to match flash zone temperature.
f. For Hydrogen-rich mixture stream passing thorough a Joule-Thompson (J-T)
expansion valve may show a temperature rise. Normally, the J-T expansion
result a drop in temperature. This is caused as the duty versus temperature
lines is curved and not straight.
g. Hydrogen Sulfide (H2S) causes large non-idealities in hydrocarbon
mixtures by shifting the critical point of the mixture.
i. Benzene forms azeotropes with some of the light hydrocarbon. Accurate
prediction of the benzene distribution in a light ends column may require
the use of activity coefficient physical property model.
j. Carbone Dioxide (CO2) forms azeotrope with ethane. It may also solidify
in cryogenic fractionators.
k. The PRSV equations of state perform rigorous three-phase flash
calculations for aqueous systems containing H2O, CH3OH or Glycols, as
well as systems containing other hydrocarbons or non-hydrocarbons in the
second liquid phase.

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Document Responsibility: Process Optimization Solutions Standards Committee SABP-Z-018
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Next Planned Update: TBD Steady State Process Modeling

8 Components Slate Characterization

For modeling multi-components process systems it is recommended that a single slate


of components is used. The slate shall contain a mixture of pure components and
hypothetical components which can be in the form of pseudo components and / or
petroleum assays. The slate which represents the process fluid is characterized based on
the appropriate analytical methodologies (i.e., chromatography, distillation test, etc…).
Furthermore, components slate characterizations should be verified during the exercise
of model validation step with real plant / test data to ensure model predictions are
realistic.

All commercial simulators have large pure components libraries containing data for the
various classes of chemical components. The Common source for pure components is
Design Institute for Physical Property Data (DIPPR) libraries. For non-library
components like pseudo components correlating parameters such as normal boiling
point (BP), specific gravity (SG), and molecular weight (MW) are used to estimate the
thermo physical properties. The sources of those correlating parameters are obtained
either from design process flow diagram or equipments data sheets. Other sources
include data from other simulation software such as PVT and PVTSim in the upstream
applications. The PVT input converts black oil data to pseudo components. Both of
these sources are a result of sample testing at some point.

There is no general guideline on the number of components needed to characterize a


fluid or petroleum stream as it depends on the case study on hand and the number of
feed stocks in the system. Thus, slate characterization shall include:
- All of the non-organic chemicals pure components (i.e., N2, H2S, CO2, NH3, H2O,
etc…)
- The organic components representation for pure C1 to C11 (including i-C4, n-C4,
i-C5 and n-C5) with C12+ as a pseudo components lumped as single component.
- For refinery applications the C12+ shall be characterized in form of assays.
The number of cuts in assay depends on the process application and can vary from
10-20 cuts.
- Pseudo components of a “trace” composition values should not be included as it
may cause convergence issue during the solution of distillation column.
- If the steady state model is used for dynamic simulation analysis. The number of
pseudo components represented should be reduced. The reduction shall not cause a
material balance discrepancy neither compromise the accuracy of the dynamic
analysis.

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Document Responsibility: Process Optimization Solutions Standards Committee SABP-Z-018
Issue Date: 16 November 2014
Next Planned Update: TBD Steady State Process Modeling

9 Developing Petroleum Pseudo Components

For the flow-sheeting unit operation processes, it is necessary to represent all process
streams with discreet components for which thermo physical properties may be defined.
Since most of the actual components are unknown for petroleum streams, petroleum
pseudo components are developed to represent the unknown components in these
streams.

Flow-sheeting Pseudo-components representations can be classified in two distinct


methodologies; one where slates are pre-defined based on the boiling range or the cut-
point range. The other where slates are defined based on carbon number groupings
(i.e., C11, C12, etc….). The later representations are more amicable with the Refinery
Pseudo-components selection.

Pseudo-components represent a predefined boiling ranges or cut-point ranges on the


True-Boiling-Point (TBP) distillation curve for the stream being characterized.
Each pseudo component corresponds to several unknown actual components.

Three (two in some) correlating parameters are needed to define the pseudo component
and to estimate the thermo physical properties for petroleum pseudo-components:
Normal Boiling Point (NBP), Specific Gravity (SG), and Molecular Weight (MW).
Correlations are available to enable the prediction of any of these three parameters from
the other two.

9.1 Defining Pseudo Component Normal Boiling Point

Initially, the first step is to develop the pseudo components cut-point ranges on the
stream TBP distillation curve. Usually, the TBP distillation curve is a predicted
one, as the TBP distillation is rarely run due to time required and the associated
high cost. Alternatively, another type of laboratory distillation is used and a
correlation is used to convert the test data to the corresponding TBP distillation.

The NBP for each pseudo is defined as the weight average temperature for its
cut-point range of the actual or predicted TBP distillation.

The conversion of D86 distillations to TBP distillation is used by utilizing the


derivative of Edmister and Pollock correlations. Commercial simulator used
quadratic interpolation to determine points of segments which are not provided
by the correlations. The conversion of D1160 distillation to TBP distillation is
used by utilizing the derivative of Edmister and Okomoto method. The D-2887
simulated distillation conversion is applicable to petroleum fractions with final
boiling points of 1000F or less, but not below 100F.

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Document Responsibility: Process Optimization Solutions Standards Committee SABP-Z-018
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The chromatography test which provide detailed itemized components analysis


C1 to C30. The tests list paraffinic, Aromatic and Naphthenic groups
separately. All simulators are equipped with correlations to convert the test
result to all other distillation curves as well as convert the petroleum stream
assay to the required boiling range cuts.

The following cut point ranges are reasonable for most refining petroleum
stream and are:

TBP Range, F TBP Range, C Number of Cuts


Less than 100 Less than 37.8 Use pure components (C1-C5)
100 - 800 37.8 - 427 28
800 - 1200 427 - 649 8
1200 - 1600 649 - 871 4

9.2 Developing Refinery Pseudo Components

Refinery Pseudo-components representation slates are defined based on carbon


number groupings (i.e., C11, C12, etc….). A pseudo component is not a pure
compound but is treated and processed as a pure compound in the simulation.
Each pseudo component represents a group of pure compounds which are either
physically similar and / or difficult to separate. They can be pseudo components
of refinery reactor unit and a non- reactor unit, and there are difference in the
choices of pseudo components and the handling of their physical properties.

The refinery reactor simulation components can be a real or pseudo. Usually, all
the light components, such as Hydrogen, Hydrogen Sulfide, Ammonia and light
hydrocarbons ranging from C1 to C4, are all modeled as real components.
Hydrocarbons with higher carbon numbers are lumped and simulated as pseudo
components because of the extremely large number of isomers and the difficulty
of individual identification. One of the common ways to generate these pseudo
components is to make selective cuts from the distillation curve, these cuts are
not based on the boiling intervals specified by the user, but either on the
correlated boiling ranges of hydrocarbons that have the same number of carbon
atoms or on the approximate boiling ranges of the product streams that are
directly separated from the reactor effluent “reaction pseudo components”.
Another common way to define the pseudo components is to select a set of
model components from the real compounds and use them to represent the C5+
portion of the hydrocarbon mixture “model components”. Though these model
components are real, most of them are applied as pseudo components in the

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Next Planned Update: TBD Steady State Process Modeling

reaction simulation. Results of these pseudo components should not be


confused with the results of those real components in the product stream.

Both methods (reaction pseudo components and model components) have taken
account of the different reaction tendencies of the paraffinic, isoparaffinic,
olefinic, naphthenic and aromatic structures by either further breaking up each
pseudo component into these subgroups or systematically choosing various
model compounds with these chemical structures. The distribution of these
subgroups or model components is dependent on the feed quality, and the goal is
to have a suitable set of pseudo components that can be used to construct the
reaction network through which the reaction behavior of the feed mixture is
described.

Lumping and de-lumping of components involve; the feed stream data and
reactor operation data are transferred from the flowsheet simulator to the
refinery reactor simulator and, conversely, after the reactor unit is solved, the
product stream data and the reactor results are transferred back to the flowsheet
simulator. The product stream data are then mapped into the product stream of
the flowsheet.

Mapping Feed Stream Data; Reactor feeds stream data transferred to the
reactor simulator include temperature, pressure, flowrates of real components,
and flowrates of model components or assay data and the required refinery
inspection properties. Based on these data the refinery reactor simulator can
characterize the feed stream and create the reaction pseudo components as
necessary.

Mapping Product Stream Data; The product stream data required to be


transferred back to the flowsheet are the temperature, pressure, and flowrates of
real components, flowrates of model components or assay data and the results of
the refinery inspection properties. When the reaction pseudo components are
used in the reactor simulation, the two sets of pseudo components representing
the product stream in the reactor simulation and in the flowsheet simulation will
not be the same. Mapping these data is based on the common state of the
pseudo components on both sides for distillation data, gravity, molecular weight
and certain refinery inspection properties. The conversion of these pseudo
component data between the reactor and flowsheet simulations are divided into
the following three steps:
1) Use the distillation data, gravity data and molecular weight data
determined by the reactor simulation to update the flowrate, normal boiling
point, gravity and molecular weight of the assay pseudo components in the
flowsheet simulation.

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2) Re-estimate all of the secondary component properties based on the three


primary component properties determined in the previous step. After this
is done, all the component properties required for thermodynamic
calculations are updated.
3) The refinery inspection property returned from the reactor simulation can
be a distribution curve or a bulk property value depending on whether the
property is carried by the reaction pseudo components, estimated from
other component properties, or estimated from other bulk property values.
When a distribution curve is available, the new component property of the
assay pseudo components is interpolated from the curve data.

10 Unit Operations

10.1 Distillation Column

Distillation column modeling is one of the most challenging fields in chemical


engineering. Designing, operating and control of distillation column depends on
the feedstock compositions and the desired separation required. It consists of
linked Vapor-Liquid equilibrium stages (trays) where the liquid and vapor
leaving each tray are in equilibrium. Tray stages have various designs and may
include packing. There are distillation separation and reactive distillation as
well. Simulation for the design, control and troubleshooting of distillation
provide significant insight into how the various design and operating parameters
impact separation. These parameters can be operational (feed composition,
product compositions, and product flowrates, operating pressure, reflux ratio,
re-boiler heat input, optional pump around, and condenser heat removal) or
equipment design (total number of trays, tray geometry, feed tray location,
column diameter, and column height) based. Not all of these variables are
independent, so a specific number (equal to column “degrees of freedom”) of
independent variables must be specified to completely define the system.

The normal situation in distillation design is that the feed conditions are given:
flowrate, composition, temperature and pressure. The desired compositions of
the product streams are also typically known. Separation is dictated by the feed
thermodynamics and subsequently affecting the number of required equilibrium
stages. Column’s liquid and vapor traffic will be calculated by the simulation to
provide the required separation. Column’s hydraulics, length, diameter will be
calculated. The column pressure profile is assumed and the feed thermal status
will determine feed tray location.

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For a given feed composition and assumed column pressure profile, two
parameters must be specified for a two product stream column. Some examples
are the distillate product purities or distillate flow rate, bottom product
impurities or bottom flow flowrate, or condenser and re-boiler duties. Reflux
ratio is a function of distillate flow rates. Note that there are multiple
combinations of two specifications that can be provided; however, some
combinations are more adaptable to changes in the simulation conditions, and to
real plant operation. Note that more complex multiple draw fractionators
included in Refinery processing plants have pump-around and side withdrawal
streams and need more specifications provided to solve.

While this section focuses on existing columns, the same principles may be
applied to column design. Certain steps are always necessary in the setup,
solution, and interpretation of results for column models. Simulation for column
design are devised to establish for sizing columns and its associated equipments
based on the feed characterizations, flow rates and required separation.
The following guidelines should be considered:

a) Commercial simulators require the user to supply flow estimates for all
column products except one, either the top, or the bottom liquid product.
The reflux quantity must also be estimated, the first (or second tray if a
partial condenser) and last tray temperatures are also required for most
simulators.
b) It is always good practice to allow the distillate rate to be a degree of
freedom for the calculations, with its rate calculated to meet a performance
specification. For condensers with small vapor product flows, it is best to
specify the vapor flow and allow the condenser drum temperature to be
calculated. This produces the most stable model, particularly if it is
planned to explore alternate operations that may alter the composition of
the overhead vapor to the condenser. For condensers with significant
vapor product flows, the condenser temperature may be used for the
performance specification and the vapor product flow calculated to satisfy
the equilibrium balance with the liquid product flow.
c) Setting up a custom configuration for the re-boiler(s) system within
distillation template that is not represented in the generic model template
may require to follow the following steps:
c.1) Set up the generic model and get a converged solution. Copy the
converged solution to be used as initial estimate for the new set up.
c.2) Delete re-boiler model configuration and re specify the pressure
value for the last try.

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c.3) Add a pump with pressure differential increase equal or more to the
new detailed heat exchanger pressure drop. Add a separator after
the heat exchanger.
c.4) Check the required specification to solve the heat exchanger before
running the column. The heat exchanger degree of freedom will be
added to the column one.
d) The user is required to supply values for the first and last trays pressure in
the column model. A linear pressure profile is normally assumed for the
intermediate trays. Note that for columns with condenser, a pressure
should always be supplied for the second tray, since there is a substantial
pressure gradient between the column top tray and the condenser.
For crude and vacuum columns, it is especially important that the pressure
of the flash zone of the column be accurate and an additional pressure
should be supplied for this purpose.
e) Identification of column separation zone is crucial to the solution. The zone
is defined as a column section where split between two products occurs.
Multi draw column such as the crude and vacuum distillation columns have
multiple separation zones. Simple column with only overhead and bottom
products have only a single separation zone. Note that both rectification of
heavy components and stripping of light components may occur in a
separation zone.
f) A proper selection of the separation key components (light and heavy)
should be accurately defined especially within distributed components.
The fractionation is based on a desired split between the key components.
The light key is a light distributed component for which a small, but definite
quantity is present in the bottoms product. The heavy key is a heavy
distributed component for which a small, but definite quantity is present in
the overhead product. Note that trace components do not meet these criteria.
The key component concept is most useful for column sections in which the
distributed components are defined as real components.
g) Accurate representation for the distributed components in a separation zone
is required to achieve solution. Distributed components are those
components that exist in both products leaving the separation zone.
These are the components that fractionate or split. The other components
are non-distributed components, with the heavy non-distributed components
exiting in the bottom product and the light non-distributed components
exiting in the overhead product. Non-distributed components have almost
no influence on the separation, and they may be combined or averaged as
desired with little effect on the calculated results for the column.

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h) The performance of an actual tray compared to the performance of the


corresponding theoretical tray is designated as the tray efficiency. The overall
efficiency usually concerns the entire column and is defined as follows:

Overall efficiency = number of theoretical trays / number of actual trays

Overall efficiencies may be defined for entire columns or zones within


column and enable a direct translation of the column actual trays into
theoretical trays. Thus, the vapor and liquid leaving the tray for which the
efficiency has been applied are no longer in equilibrium.

Murphree efficiency model is one of most popular used in commercial


simulation software. Tray efficiency is a function of components relative
volatility and viscosity. The table below provides a literature base guideline
on the different overall efficiencies for various column applications.

Column Service Applications Typical Overall Efficiency %


Absorber / Stripper
20 – 30
Crude Oil Stabilizer
Re-boiled Absorber 40 – 50
De-ethanizer 65 – 70
De-propanizer 70 – 80
De-butanizer 85 – 90
Naphtha Splitter 70 – 75
C2/C3/C4 Splitter 90 – 95
Amine Contactor 20
Amine Stripper 45 – 55
Crude Distillation 50 - 60
Stripping Zone 30
Flash Zone- 1st draw 30
1st Draw - 2nd Draw 45 - 50
2nd Draw - 3rd Draw 50 - 55
Top Draw to Reflux 60 - 70
Vacuum Column (G.O) 35 - 60
Stripping Zone 35
Flash Zone- HGO draw 50 - 65
HGO Section 35 - 50
LGO Section 35 - 50

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Document Responsibility: Process Optimization Solutions Standards Committee SABP-Z-018
Issue Date: 16 November 2014
Next Planned Update: TBD Steady State Process Modeling

10.2 Heat Transfer Equipments

The primary objective of simulating heat exchanger is to estimate the overall


heat transfer coefficients (HTC) or U. For heat exchanger ratings and design,
the hot and cold streams operating conditions of compositions, temperatures,
pressures and flow rates are provided, in additions to heating and cooling curves.
The log Mean Temperature Difference (LMTD) of the heat exchanger is
calculated based on appropriate type of heat exchanger model. The individual
heat resistance of the pipe / shell, and the two fluids are used to satisfy the
OHM’s law calculating the overall heat transfer coefficients (U). Based on the
required heat exchanger duty the area required is calculated, and literature-based
built-in correlations are used to estimate the pressure drop in both sides.

To solve the heat exchanger, unknown parameters (flows, temperatures) are


manipulated by the solver. Each parameter specification will reduce the degrees
of freedom by one. The number of constraints (specifications) must equal the
number of unknown variables. When this is the case, the degrees of freedom
will be equal to zero, and a solution can be achieved. In all cases, pressure
drops in cold and hot sides are either is estimated based on original design data,
field know-how or using simulation based correlations with some pressure drop
parameters.

There are two likelihood case scenarios to consider:


a) Zero degree of freedom; A Well-defined heat exchanger with cold and hot
streams measured in-out temperatures, and one flow rate. The LMTD is
calculated using the appropriate heat exchanger model. Duty is calculated
and with known heat exchanger area, the overall heat transfer coefficient
(U) is estimated. The objective of this exercise is to estimate heat
exchanger rate of fouling by estimating design UD at its current condition
versus clean overall heat transfer coefficient (UC).
b) Degree of freedom more than zero; primarily the available measured
temperatures are not available of one or more and or one flow rate.
The heat exchanger model is required to make some assumptions or set up
specifications of one or more. This approach is of trial and error basis.
Some of those specifications may include “Minimum Temperature
Approach” of a specified temperature degree difference between the inlets
and the outlets. “Zero Duty Balance” where heat losses is negligible.
Simulation environment trial and error basis to estimate the LMTD and
subsequently calculating the heat exchanger duty and overall heat transfer
coefficient. This method may be used in addition to an operational case to
study interconnected heat exchanger network.

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Document Responsibility: Process Optimization Solutions Standards Committee SABP-Z-018
Issue Date: 16 November 2014
Next Planned Update: TBD Steady State Process Modeling

There are two model approaches to calculate the heat exchanger LMTD
depending on the passing fluid state of phase condition:
c) Weighted. The heating curves are broken into intervals, which then
exchange energy individually. An LMTD and UA are calculated for each
interval in the heat curve and summed to calculate the overall exchanger
UA. The Weighted method is available only for Counter-Current
exchangers. This approach is used where there is a phase change in the
system as in condensing steam or vaporizing liquid.
d) Endpoint. A single LMTD and UA are calculated from the inlet and outlet
conditions. For simple problems where there is no phase change and CP is
relatively constant, this option may be sufficient. This approach is used
where there is no change in the system phases passing through the
exchanger.

For Air-Cooled Heat Exchanger the modeling may be simplified and the
LMTD calculation is assuming having fixed medium temperature (ambient).

All Commercial simulators provide several types of heat exchangers (i.e., shell
and tube, double tube, etc…). Modeling of heat exchanger in a flow sheet
would highly depend on the process, fluid, and the weighted importance
between rigorous and simplified ones.

For Fired Heater, design data are used to establish the heat duty split between
the convection and radiant sections. The fuel gas composition and operating
conditions of flow rate, temperature, and pressure must be specified. The flue
gas thermal conditions must also be known. The process side of inlet and outlet
conditions of composition, flow rates, temperature and pressure must be
provided. The Heater duty efficiency, heat flux, and heat transfer coefficients
are estimated in the convection and radiant sections.

Other types of heat exchangers (i.e., Plate, Kettle, etc…) can be modeled in the
same way provided that the degree of freedom is zero and if more a
specifications of constraints must be specified.

Note that detail heat exchanger design and rating software are integrated or
linked to general flowsheet simulators. These are normally used for detailed
analysis of the heat exchanger performance where the effects of exchanger
physical design are significant and high accuracy is required. Heat transfer
specialized software from Heat Transfer Research Institute (HTRI) is one of the
industry available to address all types of Heat transfer equipment simulations

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Document Responsibility: Process Optimization Solutions Standards Committee SABP-Z-018
Issue Date: 16 November 2014
Next Planned Update: TBD Steady State Process Modeling

In many cases, a simple heater or cooler can be used in a simulation, where a


duty or an unknown temperature is estimated while the pressure drops in both
streams are specified.

10.3 Compressors

Modeling centrifugal compressor are often the focus of dynamic modeling,


however, compressor energy consumption and throughput capacity can be
considered as a steady state modeling issue as well. Centrifugal compressors are
designed and operated based on their performance curve(s) characteristic, as
centrifugal compressors have performance curves similar to pumps. The major
difference is that a compressor moves gas which is compressible, while the
pump moves liquid that is not compressible. The performance curve flow rate is
based on suction conditions and expressed as inlet cubic feet per minute
(ICFM). It is not standard gas flow metering units.

Compressor operation from inlet to outlet is based on the system’s


thermodynamics and follows a path between the isentropic and adiabatic paths
called the polytropic. Centrifugal compressors do not develop a constant
differential pressure, they develop a constant differential polytropic head at a
given inlet flow rate. Often, the compressor curves provided by the construction
company or the compressor vendor will report the performance curve as
differential pressure versus actual inlet flow rate. These differential pressure
curves represent one set of inlet operating conditions only. It is recommended to
use performance curves as polytropic head versus actual inlet flow rate.

One of the objectives of modeling compressor(s) is either as a troubleshooting


case study or evaluating compressor anti-surge control in the dynamic state.
In both cases, the current state of compressor curves characteristics must be
estimated. Estimation is based on a known sampled composition and molecular
weight (MW), with accurate measurements of suction and discharge conditions.
Measured parameters include temperatures, pressures, flow rates and horse
power (HP or KW) or power consumption (AMPS). The measured standard
suction flow rates should be compensated and converted into actual flow rates.
The steady-state compressor characteristic can be measured for different
rotational speeds by throttling down the compressor towards the surge line and
measure the mass flow and pressure difference while keeping the speed
constant. Simulation is used to calculate the polytropic head and polytropic
efficiency for each single point.

Commercial simulators provide several calculation models for compressors


which include GPSA and ASME. The ASME is more representative to
compressor actual performance. Thermodynamic package selection is also quite
important for the system to conform the system energy balance to the required

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Document Responsibility: Process Optimization Solutions Standards Committee SABP-Z-018
Issue Date: 16 November 2014
Next Planned Update: TBD Steady State Process Modeling

tolerance. SRK and BWRS are favored by compressor vendors while LK and
PR are favored by software vendors. SRK and or sour SRK with LK enthalpies
is recommended for compressors system in operation.

10.4 Pumps

Pump moves liquid that is not compressible, and are designed for a Net Positive
Suction Head (NPSH) based on fluid properties, suction and discharge
conditions. Simulating pumps requires the specifications of performance curve
and efficiency. Pumps are normally not required in steady state simulations
since stream flows are not dependent on realistic pressure profiles through the
flowsheet. However, they can be added to estimate energy use or to provide
realistic stream pressures.

10.5 Refinery Reactor

Reactor processes may be grouped into several categories; catalytic cracking,


reforming, isomerization, hydrocracking and hydrotreating. Several general
types of reactions occur in these processes; cracking, dehydrogenations,
isomerization, cyclization, and others. Quantifications of the exact rate of
reaction occur is almost difficult. Kinetic reactive and activation catalysis based
equations are used to quantify and optimize the reactions. Specialized
simulation software such as PETROSIM and REFSYS include specific models
for common Refinery reaction units such as FCCU, HCRU, and naphtha
reformers. Simulation software uses several types of information, depending on
each individual process and also the type of reactor and catalysis re-generation.
Feed and reactor effluent refinery pseudo components:
a) Reactor physical dimensions
b) Catalysis volume, type and other information
c) Catalysts volume, type, loading, deactivation rate, cycle length and other
information
d) Process streams data of temperature, pressure, flow rate and compositions.
This may include all downstream units.
e) Process Licensor information with regard to yield estimates, product
properties at Start of Run, Middle of Run and Middle of Run condition.

Several test data are required to tune the model which will estimate the
individual rate of reactions, catalysis deactivation rates, throughputs, and yield
qualities. The estimated reaction parameters may be used to predict operating
scenarios such as maximizing throughput or yields and specifications of specific
streams.

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Document Responsibility: Process Optimization Solutions Standards Committee SABP-Z-018
Issue Date: 16 November 2014
Next Planned Update: TBD Steady State Process Modeling

11 Logical Operations

Most commercial simulation environments are facilitated with a type of so called


logical operations which provides mathematical based flow sheeting manipulation
features. The main ones are RECYCLE (TEARING).

11.1 Recycle (Tearing)

In process synthesis when product streams are fed back to a previous point in the
simulation or the reaction operations involve reversible reactions or competing
reactions, the split fractions of the species leaving the separators are complex
functions of the operating conditions such as the temperatures, and pressures,
then iterative calculations are necessary. In these cases, the simulation flow-
sheets usually contain information recycle loops, that is, recycles for which too
few stream variables are known to permit the equations for each unit to be
solved independently. For these processes, a solution technique is needed to
solve the equations for all of the units in recycle loop. One solution technique is
to tear one stream in the recycle loop, that is, to guess the variables of that
stream. Then, a non-sequential iterative solution is employed for solution.
Flowsheet recycle can be of a single or multiple loops. The guidelines are:
a) Use Nested type for flow sheet with a single recycle or not connected
multiple recycles.
b) Use Simultaneous type for flow sheet with multiple inter-connected
recycles.

11.2 Recycle Tolerance

It is the absolute error resulted from the recycle operation solved inlet and
assumed outlet streams. The recycle tolerance is set for each given stream
properties (i.e., temperature, pressure, flow rates, compositions, etc…).
The actual tolerance of the Recycle operation is calculated as the product of the
absolute (default) tolerance for the given property (Simulation software internal
fixed value) and the relative tolerance (specified by the user). Relative tolerance
specified values for each specific property should be specified depending on its
importance. For instance the specified actual tolerance for individual
composition should be within 10-3 to 10-5. However, components with high
compositional value should have very stringiest tolerance of 10-5; on the other
hand components with low compositional value a tolerance of 10-3 should be
reasonable not to cause the recycle solution to fail.

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Document Responsibility: Process Optimization Solutions Standards Committee SABP-Z-018
Issue Date: 16 November 2014
Next Planned Update: TBD Steady State Process Modeling

12 Flow Sheeting Topology

12.1 Units of Measurements

It is recommended to set up the units of measurements within the simulation


environment should matches that of the field units. All simulation GUI
environments have the tool to set up a customized set from pre-defined ones like
the SI, Field, etc…

12.2 Sub-flow Sheeting

Sub-flow sheeting is a hierarchy structure within the flow sheeting simulating


environments. Each sub-flow sheet is connected to the main flow sheet via
input and output ports. In additions, multi-level of sub-flow sheeting can be
used provided that the modeling environment allows it. It is recommended to
utilize the feature in:
a. Large model with various interconnected processes.
b. Common type of process (e.g., refrigeration) can be developing into a
template (sub-flowsheet). The approach to set up a sub-flowsheet
(TEMPLATE) can be differing from simulation to another.
c. Customized unit operations which may need a different type of analytical
solution from the main flowsheet may need to be developed into a template.
This applies to distillation column as it uses an equation based solution
compared to the main flow sheet which uses sequential one in HYSYS and
ProII.

12.3 Sequential and Equation based Modeling

Most commercial simulators adopt the sequential modeling (SM) approach


where the execution workflow starts by solving the heat and energy equations
that comprise the unit operation for each individual units moving from stat to
end or left to right. Each unit must have sufficient speciation to solve and all
feeds to a unit must be solved before the unit can be solved. Units with recycle
streams have a recycle unit operation which provides streams parameters
estimates. Initial estimates for a recycle stream must be provided by the user
and then the simulation updates the recycle stream when downstream units are
solved. The SM is faster to execute and is the most appropriate approach for
simulation, and design ratings cases. ASPEN PLUS SM, Aspen HYSYS, and
ProII adopt this methodology.

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Document Responsibility: Process Optimization Solutions Standards Committee SABP-Z-018
Issue Date: 16 November 2014
Next Planned Update: TBD Steady State Process Modeling

The Equation Oriented (EO) approach solves the entire flowsheet (mass and
heat balance equations) simultaneously so there are no requirements for
recycles; however, it is more complicated and difficult to set up. The EO
approach does require initial system parameter estimates. This is normally
provided by first running the SM approach (without the need to converge) and
then changing the simulator mode to EO. The EO approach is most suitable for
online and offline optimization and systems with many or “back-to-front
specifications that requires iterative type of solutions. Other examples include
calculating pressure profiles through a unit or piping system. Distillation
columns and refinery / petrochemical reactors use this approach but the details
are normally hidden from the user’s view. ASPEN PLUS EO, HYSYS EO, and
ROMeo use this approach.

Revision Summary
30 September 2012 New Saudi Aramco Best Practice.
16 November 2014 Editorial revision to transfer responsibility from Process Control to Process Optimization
Solutions Stds. Committee.

Page 22 of 23
Document Responsibility: Process Optimization Solutions Standards Committee SABP-Z-018
Issue Date: 16 November 2014
Next Planned Update: TBD Steady State Process Modeling

Appendix A – Simulation Platforms: Recommended Vendor List (RVL)

For the full list of P&CSD approved simulation platforms, please refer to Engineering
Procedure SAEP-364, Exhibit I.

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