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Octagon Management & Engineering Solutions (OMESOL)

By: D. Richards (M.Eng)

Sr. Process Engineer
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What Is Process Simulation?

Process Simulation is a model-based
representation of chemical, physical and other
technical processes and unit operations in

Used for the design, development, analysis and

optimization of technical processes and is
mainly applied to chemical plants and
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Why We Use Simulation?

For the design of various components in any
plant/facility, Process Simulations are performed:

To solve Mass and Energy Balances using in-built

Mathematical Models.
To obtain the Flow Rates, Compositions and
Thermo Physical Properties of process streams at
its various operating conditions.
To Predict Phase behavior of Fluids.
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Simulations are also performed to detect
abnormal conditions like
Formation of hydrates due to fall in Pressure & Temperature.
Fall in temperature below Hydrocarbon or Water- Dew Point.
Flashing of liquids across Control Valves or Drain Valves, etc.
Condensation Of Vapors due to cooling.
Latent heat data required at relieving conditions (Temperature And
Pressure) for Safety Valve Sizing calculations.
Time behavior of inventory streams during Depressurization.
Minimum temperatures during Venting from High Pressure To
Atmosphere, which may affect material selection upstream or
downstream of vent valve (inclusive).
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Steady-state models perform a mass and
energy balance of a stationary process

A Process In An Equilibrium State
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Steady state simulators are used for:

Process design (to determine the process
conditions required to produce the desired
Process equipment design (to size the equipment
required to produce the desired product)
Process design optimization (to determine the
optimum configuration of equipment and
maximize energy recovery)
Process Optimization (to determine changes to
the current operating conditions that can either
reduce operating costs or Increase production).
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It is an extension of steady-state process simulation
whereby time dependence is built into the model.
It requires increased calculation time and is
mathematically more complex than a steady state
For process design, it is used for operator training and
optimum process control.
It is used to study the response of the process to
sudden changes in operating conditions.
In dynamic process design simulators, the key
operating conditions are maintained using simple PID
(Proportional, Integral and Derivative) controllers.
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Uses Of Simulation For Process Design

Generate heat and material balance for the
Generate process flow diagrams
Perform equipment sizing calculations
Perform line sizing calculations
Perform instrument sizing calculations
Generate process datasheets / specification
for equipment and instruments
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Major Steps Involved In Development
Of Steady State Process Simulation
Use of this simulation software for chemical
processing involves the following steps:
Selection of components
Selection of a thermodynamic properties package
Construction of a flow sheet
Specification of known stream and unit
compositions and conditions
Running the simulation program
Interpretation of the results
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In many cases, simulation results DO NOT
reflect what is really happening in a plant

Improperly selected thermodynamic models
Inadequate model parameters
Incorrect hypothetical components generation
Problems with plant data consistency
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Selection Of Property Package

Property packages (Thermodynamic Models) are
specialized collections of methods for calculating
the properties of components and values of
parameters within the simulation. When you have
established a component list, you combine the
component list with a property package. The
combination of the component list and the
property package, (along with other simulation
settings), comprise the HYSYS fluid package. Hence:
Property Package + Component List = Fluid Package
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Use Of Thermodynamic Models

Thermodynamic models are used to represent
the phase equilibrium behavior and energy level
of pure compound and mixture systems

HYSYS contains over 30 thermodynamic models

Aspen HYSYS provides over 16,000 BIPs by default
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Recommended Property Methods
Type Of System Aspen Recommended Property Method
TEG Dehydration PR
Sour Water PR, Sour PR
Cryogenic Gas Processing PR, PRSV
Air Separation PR, PRSV
Atm Crude Tower PR, PR Options, GS
Vacuum Tower PR, PR Options, GS (<10 mm Hg), Braun K10, Esso K

Ethylene Tower Lee Kesler Plocker

High H2 System PR, ZJ or GS (On T/P limits)
Reservoir System PR, PR Options
Steam System Steam Package, CS or GS
Hydrate Inhibition PR
Chemical System Activity Model, PRSV
HF Alkylation PRSV, NRTL
TEG Dehydration with Aromatics PR
Hydrocarbon systems where H2O solubility in HC is Kabadi Danner
Systems with selected gases and light hydrocarbons MBWR
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Some Commonly Used Property
Peng-Robinson (PR) model is ideal for VLE calculations
as well as calculating liquid densities for hydrocarbon
PR property package rigorously solves any single-, two-,
or three-phase system with a high degree of efficiency
and reliability and is applicable over a wide range of
Temperature Range > -271C or -456F
Pressure Range < 100,000 kPa or 15,000 psia
For Oil, Gas, or Petrochemical applications, the PR EOS is
the generally recommended property package.
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Some Commonly Used Property
SRK (Soave-Redlich-Kwong ) model provides
comparable results to PR, but its range of
application is significantly more limited:
Temperature Range > -143C or -225F
Pressure Range < 5,000 psia or 35,000 kPa
SRK EOS should not be used for non-ideal
chemicals such as alcohols, acids or other
components. These chemicals are more
accurately handled by the Activity Models (highly
non-ideal) or the PRSV EOS (moderately non-
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