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1.thermodynamics PRO II Simulation

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Mastère en Petroleum Engineering 
UE11‐1 Simulation des Procédés de traitement des effluents pétroliers 

PRO II Basics 
 

EP – 22284_a_A_tec_01 
Pro II Simulation Manual Content

CONTENT

Chapter 1: Introduction.................................................................................................................................................. 9

1- PROCESS SIMULATION IN A WORD ........................................................................................................... 9

2- WHAT IS PRO II? ........................................................................................................................................... 9

Chapter 2: Intrinsic data – Required data.................................................................................................................... 11

1- DATA REQUIRED FOR A STREAM ............................................................................................................ 11


The flow rate ................................................................................................................................................. 11
The composition ............................................................................................................................................ 11
Two independent thermodynamic parameters: ............................................................................................. 12

2- CASE OF A VALVE...................................................................................................................................... 13

3- CASE OF A PUMP ....................................................................................................................................... 14

4- CASE OF A COMPRESSOR ........................................................................................................................ 16

5- CASE OF AN EXPANDER ........................................................................................................................... 18

6- CASE OF A HEAT EXCHANGER ................................................................................................................ 20

7- CASE OF A “MIXER”................................................................................................................................... 22

8- CASE OF A “SPLITTER” ............................................................................................................................. 24

9- CASE OF A TWO-PHASE OR A THREE-PHASE SEPARATOR (DRUM) ................................................. 26

Chapter 3: How to display results................................................................................................................................ 29

1- CASE OF STREAMS.................................................................................................................................... 29

2- CASE OF UNIT OPERATIONS .................................................................................................................... 32

3- CASE OF PHASE ENVELOPS .................................................................................................................... 32

4- CASE OF CALCULATOR ............................................................................................................................ 33

5- CASE STUDY RESULTS ............................................................................................................................. 34

EP – 22284_a_A_tec_01
Pro II Simulation Manual Content

EP – 22284_a_A_tec_01
Pro II Simulation Manual Chapter 1: Introduction

Chapter 1: Introduction

1 - PROCESS SIMULATION IN A WORD


Simulation software has had an enormous impact on the petroleum, petrochemical, and chemical process
industries over the past several decades. Process simulation is almost universally used to guide the design of
new processes, evaluates alternate plant configurations, troubleshoots and debottlenecks plant process, etc.
Process simulation programs perform rigorous mass and energy balances for a wide range of chemical
processes. Other process engineering tools have been developed for heat transfer simulation, plant gross error
detection, piping network simulation, safety system modeling, etc. Dynamic simulation software has also been
developed to model plant control systems for detailed engineering studies and operator training. Simulations
are based on rigorous first-principle models and the actual plant controls can be used to troubleshoot process
and control problems that occur in the actual plant and perform what-if and debottlenecking studies. High fidelity
plant simulators are used to train operators in a non-destructive environment.
On-line optimization has been practiced in the hydrocarbon processing industry for over 40 years. On-line
optimization answers the question of how should a given unit, or groups of units, can be operated to maximize
economic given constraints of the operating and economic environment. Optimizations are typically based on a
mathematical model ranging from a unit to a complete manufacturing complex based on observed plant
performance to rigorous first principles of heat, mass and momentum balances. Most recent implementations of
on-line optimization utilize first principles models to take advantage of their superior accuracy, rigor, range, and
maintainability.

2 - WHAT IS PRO II?


PRO/II is the flagship offering in SimSci-Esscor's Process Engineering Suite (PES). This steady-state simulator
performs rigorous mass and energy balances for a wide range of processes. From oil and gas separation to
reactive distillation, PRO/II combines the data resources of a large chemical component library and extensive
thermodynamic property prediction methods with the most advanced and flexible unit operations techniques.
Process engineers’ benefit from computational facilities to perform all mass and energy balance calculations
needed to model most steady-state processes within the chemical, petroleum, natural gas, solids processing,
and polymer industry.

Introduction taken from “PRO II Academic Manual”

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Pro II Simulation Manual Chapter 1: Introduction

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Pro II Simulation Manual Chapter 2: Intrinsic data – Required data

Chapter 2: Intrinsic data – Required data

A minimum of data is required to allow process simulation software to calculate all the other thermodynamic
parameters of the fluid at a given point of a process.

On the other hand, any "extra" data generates an incompatibility of values between all the given and/or
calculated thermodynamic parameters, resulting in an "ERROR". For example, simulation fails if the user
specifies a temperature of 50°C, whereas the other data enable to calculate a temperature slightly different of
45,999…°C.

1 - DATA REQUIRED FOR A STREAM


Four data are required to calculate/characterize a stream:
 The flow rate
 The composition
 Two independent thermodynamic parameters

The flow rate


Generally, only the flow rate of the FEEDS of the unit is required. PRO II calculates the flow rate of the other
streams by material balance.

The composition
This informs on the type of the fluid.
Generally, only the composition of the FEEDS of the unit is required. The composition of the other streams is
progressively calculated.

Given the detailed composition of the stream, PRO II can calculate using the EQUATIONS OF STATE
chosen by the user: SRK, PR …) the thermodynamic properties of the fluid at any conditions of
pressure and temperature. This is equivalent to having all the thermodynamic diagrams of the fluid.

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Pro II Simulation Manual Chapter 2: Intrinsic data – Required data

Two independent thermodynamic parameters:


Two independent thermodynamic parameters are required in order to calculate all the other parameters.
For example:
 Pressure + temperature
 Pressure (or temperature) + dew point
 Pressure (or temperature) + bubble point
 …

Knowing the composition is equivalent to having the thermodynamic diagrams relative to the fluid. The
two independent parameters enable to identify a point on these diagrams (cross point of two curves)
and read all the other parameters.

To conclude, FOUR thermodynamic parameters are required to characterize a stream.

Figure 1: Stream definition in Pro II

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Pro II Simulation Manual Chapter 2: Intrinsic data – Required data

2 - CASE OF A VALVE
A valve is equipment that aims at creating friction losses, without energy or heat exchange (ISENTHALPIC).

Knowing the inlet stream, a SINGLE parameter is required in order to calculate the outlet stream.

Intrinsic properties of the valve (3) Required parameters (1)

3 - PRESSURE decrease
1 - Conservation of the FLOW RATE Examples:
2 - Conservation of the COMPOSITION - ∆P pump
- P downstream
3 - Conservation of the ENTHALPY -…

Figure 2: Valve definition in Pro II

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Pro II Simulation Manual Chapter 2: Intrinsic data – Required data

3 - CASE OF A PUMP
A pump aims at increasing the pressure energy of a liquid. The higher the pump efficiency, the lower the
energy consumption of the pump.

Work

TWO parameters are required in order to calculate the discharge stream, knowing all the parameters at the
suction of the pump:

Intrinsic properties of the pump (2) Required parameters (2)

3 - PRESSURE increase
Examples:
- ∆P pump
1 - Conservation of the FLOW RATE - P downstream
-…
2 - Conservation of the COMPOSITION 4 - ENERGY consumption
Example:
- Pump efficiency

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Pro II Simulation Manual Chapter 2: Intrinsic data – Required data

How to define a PUMP?

Figure 3: The pump in Pro II

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Pro II Simulation Manual Chapter 2: Intrinsic data – Required data

4 - CASE OF A COMPRESSOR
A compressor aims at increasing the energy pressure of a gas. The higher the efficiency of the compressor,
the lower energy consumption.

Suction Discharge

Work

TWO parameters are required in order to calculate the discharge stream, knowing all the parameters at the
suction of the compressor.

Intrinsic properties of compressor (2) Required parameters (2)

3 - PRESSURE increase
Examples:
- ∆P compressor
1 - Conservation of the FLOW RATE - P downstream
-…
2 - Conservation of the COMPOSITION 4 - ENERGY consumption
Example:
- Efficiency of the compressor

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Pro II Simulation Manual Chapter 2: Intrinsic data – Required data

Figure 4: Compressor specifications in Pro II

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Pro II Simulation Manual Chapter 2: Intrinsic data – Required data

5 - CASE OF AN EXPANDER
The aim of a gas turbine is to recover pressure energy from a gas. This transformation generally decreases
the gas temperature. The higher the efficiency of the turbine, the higher the recovered energy.

Discharge
Suction

Energy

TWO parameters are required in order to calculate the exhaust stream, knowing the inlet parameters.

Intrinsic properties of the expander (2) Required parameters (2)

3 - PRESSURE decrease
Examples:
- ∆P expander
1 - Conservation of the FLOW RATE - P downstream
-…

2 - Conservation of the COMPOSITION 4 - ENERGY consumption


- Energy recovered by the turbine (work)
- T downstream (outlet temperature estimate)
-…

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Pro II Simulation Manual Chapter 2: Intrinsic data – Required data

Figure 5: Expander specifications in Pro II

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Pro II Simulation Manual Chapter 2: Intrinsic data – Required data

6 - CASE OF A HEAT EXCHANGER


A heat exchanger aims at providing (or extracting) heat to (from) a fluid. This operation generates friction
losses, however.
In the case of physical state change of a pure component, temperature does not change. In practice, there is a
slight decrease in the temperature of the fluid due to the decrease in the pressure (friction losses) through the
heat exchanger.

Cooling medium (water, air …)

Hot In Hot Out

TWO parameters are required in order to calculate the outlet stream, knowing the parameters at the inlet:

Intrinsic properties of heat exchanger (2) Required parameters (2)

3 - Energy increase (or decrease) of the fluid


Examples:
- Duty of the heat exchanger
1 - Conservation of the FLOW RATE - T outlet
- Liquid fraction
-…
2 - Conservation of the COMPOSITION
4 - Friction losses through the heat exchanger
Example:
- ∆P heat exchanger

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Pro II Simulation Manual Chapter 2: Intrinsic data – Required data

Don’t forget to check Hot and Cold sides!

Figure 6: Heat exchange specifications in Pro II

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Pro II Simulation Manual Chapter 2: Intrinsic data – Required data

7 - CASE OF A “MIXER”
This function of PRO II allows simulating one or more tees (mixing streams).

INLET 1
OUTLET

INLET 2

INLET N

Intrinsic properties of the mixer (4) Required parameters

1- Conservation of the TOTAL FLOW RATE


2- The COMPOSITION of the outlet stream is
calculated by detailed material balance
(outlet pressure)
(component by component)
3- Conservation of the ENTHALPY
4- Conservation of the PRESSURE

NO EXTRA parameters are required provided that the inlet steams are known. Outlet pressure could be
specified.

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Pro II Simulation Manual Chapter 2: Intrinsic data – Required data

BE CAREFUL
Difference of TEMPERATURE!!!

Conservation of the TOTAL


FLOWRATE

Figure 7: “Mixer” in Pro II

You can notice in the PRO II scheme, that the outlet Temperature is different from that of the inlet streams. You
might need in some cases (example: gas saturation with water in order to meet the real reservoir conditions of
the effluent) to have the same T, P conditions (inlets and outlet streams of the mixer). In that case, you can use
a flash drum instead of mixer. The purpose of the flash is not phase separation (in this case) but mixing with
maintaining the inlet conditions. The use of a flash will be detailed afterwards.

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Pro II Simulation Manual Chapter 2: Intrinsic data – Required data

8 - CASE OF A “SPLITTER”
This function allows simulating the separation of a single stream into several ones.

OUTLET 1

INLET

OUTLET 2

OUTLET N

N stands for the number of outlet streams


The intensive parameters of the outlet streams are those of inlet. However, the extensive parameters are
shared out between the outlet streams, according to ratios specified by the user.

Intrinsic properties of the splitter (3N+1) Required parameters (N-1)

- Conservation of the TOTAL FLOW RATE (1)


- Conservation of the COMPOSITION of each
outlet stream (N)
- Conservation of the PRESSURE of each outlet - FLOW RATES of N – 1 outlet streams
stream (N)
- Conservation of the TEMPERATURE of each
outlet stream (N)

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Pro II Simulation Manual Chapter 2: Intrinsic data – Required data

N-1 FLOW RATES TO BE SPECIFIED

Figure 8: “Splitter” in Pro II

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Pro II Simulation Manual Chapter 2: Intrinsic data – Required data

9 - CASE OF A TWO-PHASE OR A THREE-PHASE SEPARATOR (DRUM)


Flash separations (liquid(s)-vapor separation) are not explicitly studied in this document.
The pressure and temperature conditions of the flash are obtained, either from the inlet conditions (as shown in
the Pro II flow diagram) or specified within the flash. In the first case, we assume that the DUTY is equal to
ZERO as no heat exchange occurs during the phase separation.

F, V and L denotes for FEED, VAPOR and LIQUID, respectively. Z, y and x are their relative compositions.

Given the inlet streams, NO extra parameters are required for a flash separator to calculate the outlet
streams. Don’t forget to set the duty to zero.

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Pro II Simulation Manual Chapter 2: Intrinsic data – Required data

DUTY = 0 KW

If liquid carry over …

Figure 9: Flash definition in Pro II

In some cases we may need to perform “special” FLASHES (i.e., Water Dew Point, Hydrocarbon Dew Point,
Dew Point, Bubble Point …). The use of some of them will be demonstrated here after.

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Pro II Simulation Manual Chapter 2: Intrinsic data – Required data

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Pro II Simulation Manual Chapter 3: How to display results

Chapter 3: How to display results

After running the simulation, you will need to figure out the results. Results may concern:
 Streams
 Unit operations
 Calculators (utility)
 Phase envelops
 Sensitivity analysis (known as CASE STUDY)

1 - CASE OF STREAMS
You will need to go through the following steps to display results that are related to STREAMS:
 RUN the simulation and check if everything is blue COLORED
 Click on OUTPUT, then on STREAM PROPERTY TABLE
 A small green table appears, drug it on the FLOWSHEET
 Double click on the table and select the PROPERTY LIST to be used
 Under STREAM SELECTION, fill in the DISPLAYED STREAMS LIST by clicking on STREAMS NAMES
in the AVAILBALE STREAMS LIST

Figure 10: Results displaying (1)

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Pro II Simulation Manual Chapter 3: How to display results

Figure 11: Results displaying (2)

It is possible to create your own PROPERTY LIST starting from an existing one:
 Click on OPTIONS, then on STREAM PROPERTY LISTS
 Select the initial list to be customized
 Add or remove PROPERTIES (as shown), change UNITS if necessary
 Save the new PROPERTY LIST
 Double click on the table of results and select the new PROPERTY LIST, so that modifications could be
applied

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Pro II Simulation Manual Chapter 3: How to display results

Figure 12: Property list customizing

This is an example of SREAMS displaying results table:

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Pro II Simulation Manual Chapter 3: How to display results

2 - CASE OF UNIT OPERATIONS


Same as for STREAMS:
 RUN the simulation and check if everything is blue COLORED
 Click on OUTPUT, then on UNIT OPS PROPERTY TABLE
 …

EXAMPLE OF RESULTS DISPLAYING TABLE FOR COMPRESSORS AND HEAT EXCHANGERS


(2 separate tables)

3 - CASE OF PHASE ENVELOPS

 RUN the simulation


 Click on OUTPUT, then on GENERATE A PLOT
 Choose the concerned PHASE ENVELOP (PH) from the list
 You have to select either INDIVIDAL or COMPARISON to have one or more PHASE ENVELOPS on the
same graph

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Pro II Simulation Manual Chapter 3: How to display results

Figure 13: Plot generation

4 - CASE OF CALCULATOR
Results from CALCULATORS are obtained in the same way as done for UNIT OPERATIONS.
 RUN the simulation
 Click on OUTPUT, then on UNIT OPS PROPERTY TABLE
 Select CALCULATOR from the list
 It is possible to customize the CALCULATOR RESULTS TABLE through UNIT OPS PROPERTY LIST
under OPTIONS

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Pro II Simulation Manual Chapter 3: How to display results

EXAMPLE OF RESULTS DISPLAYING TABLE FOR CALCULATORS

5 - CASE STUDY RESULTS

 DEFINE A CASE STUDY (demonstration afterward)


 Make sure that BASE CASE AND ALL CYCLES is selected under the EXECUTION OPTIONS as shown
in figure 14

Figure 14: Case study definition

Results are displayed by clicking on OPTIONS, and then on CASE STUDY (it is possible between either plot or
table).

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Pro II Simulation Manual Chapter 3: How to display results

Exploration & Production – Field Operations

Thermodynamics
Pro II Simulation

EP – 22287_a_A_tec_01
CONTENT

Liquid Vapor Equilibrium of Pure Component ................................................................................ 1

Application: refrigeration system with propane vaporization ...................................................... 1

Liquid Vapor Equilibrium of Binary Mixture .................................................................................... 3

Application: effect of composition on the phase behavior .......................................................... 3

Retrograde Condensation during Reservoir Depletion .................................................................. 6

Application: study of phase behavior during retrograde gas reservoir depletion ....................... 6

Vapor liquid equilibrium of mixtures Multiple components ......................................................... 10

Application: well effluents classification ................................................................................... 10

Comments ................................................................................................................................ 16
Thermodynamics - Pro II Simulation

Liquid Vapor Equilibrium of Pure Component

Application: refrigeration system with propane vaporization1

Propane is used to cool a process, as shown in the diagram of the figure below. The fluid that is to be cooled
in exchanger E103 should have an outlet temperature of -30 °C. What pressure will the exchanger work
at?

Sketch of the heat exchanger in a propane cooling example

Pressure and temperature are the basic properties of the system.

Only propane appears in the process. It is a well-known light hydrocarbon.

Propane will evaporate to cool the process. It is a vapor-liquid equilibrium of a pure component.

1Ref. Select Thermodynamic Models for Process Simulation, a practical guide using a three steps methodology by J-C. De
Hemptinne, J-M Ledanois, P. Mougin and A. Barreau. TECHNIP EDITION 2012

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Thermodynamics - Pro II Simulation

Model requirement:
A vapor pressure curve is enough to solve the question asked. As long as the temperature remains within the
limits provided by the database, the Antoine’s equation is sufficient.

For propane, the values are:

Parameter Tc (K) Pc (bar) A B C

Value 369.82 42.4 5.75442079 -5.48259492 -0.04723775

How to solve the problem by using PRO II?

Simply add a PROPANE STREAM and choose the PRESSURE to be the BUBBLE POINT AT -35 °C.

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Thermodynamics - Pro II Simulation

Liquid Vapor Equilibrium of Binary Mixture

Application: effect of composition on the phase behavior

Objective

The scope of this exercise is to bring out the effect of the composition on the phase behavior of a binary
mixture.

Task

1. You are asked to plot on the same graph the phase diagrams of the methane-butane mixture at the
following compositions (% mol)
- 15% - 85%
- 50 % - 50 %
- 90 % - 10 %
- 98 % - 2 %

2. For each of the cited above mixtures, guess what would be the emerging phases (vapor, liquid or both )
from the a flash separator operating at :
a. T = 95 °C, 115 bars (schematized)
b. T = 138 °C, 115 bars

3. Same for a 70 % mol methane mixture (not schematized in the graph)


(Think about a rough estimation of the cricondentherm)

4. What do you expect as a cricondentherm behavior with respect to methane pourcentage

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Thermodynamics - Pro II Simulation

Study of the VLE of methane – Butane mixture

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Thermodynamics - Pro II Simulation

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Thermodynamics - Pro II Simulation

Retrograde Condensation during Reservoir Depletion

Application: study of phase behavior during retrograde gas reservoir


depletion

A natural gas reservoir is characterized by the molar composition (given in the PVT report below).

1. Figure out the phase envelop of the well effluent using PRO II. The equation of state to be used is Peng
Robinson.

2. The reservoir is isothermally depleted following the path A, B, C and D. Draw on the same graph the
following points:
- Point A : reservoir conditions
- Point B: point where the first droplet of liquid appears as a result of pressure decrease
- Point C: P = : T = to be determined (question 3)
- Point D : the fluid is 100 % vapor
- Point PS “Primary Separator”: P = 440 psig; T = 87°F

3. The retrograde condensation is characterized by HC liquid production as the pressure decreases (down
from point B). The liquid formation ends at a certain point, from which we start to re-vaporize the liquid
phase.

Using PRO II “case study” tool, bring out the effect of pressure reduction on the volume of the
condensed liquid. Determine the coordinates of point C (maximum liquid quota)

4. Study the effect of the molecular weight of the C7+ cut on phase envelops shape.

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Thermodynamics - Pro II Simulation

Part of PVT report

Katz, D.L. Handbook of Natural Gas Engineering (1990)

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Thermodynamics - Pro II Simulation

Solution

Questions 1 & 2

Phase diagram of the natural gas effluent

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Thermodynamics - Pro II Simulation

Questions 3

Questions 4

Effect of C7+ cut molecular weight on the phase envelope shape

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Thermodynamics - Pro II Simulation

Vapor liquid equilibrium of mixtures


Multiple components

Application: well effluents classification

Objective

The scope of the following application is to bring out the effect of composition on phase behavior of
hydrocarbon mixtures. Trainees will be able to recognize the well effluent type (Gas, light oil or heavy oil) on
the basis of the corresponding phase diagram.

1. Data (composition in mol %)

Component Effluent 1 Effluent 2 Effluent 3

N2 0.3 1.67 0.67


CO2 1.1 2.18 2.11

C1 90.0 60.51 34.93


C2 4.9 7.52 7.00
C3 1.9 4.74 7.62
C4 (i + n) 1.1 4.12 5.48
C5 (i + n) 0.4 2.97 3.80
C6 (i + n) 6 + : 0.3 1.99 3.04
C7 2.45 4.39
C8 2.41 4.71
C9 1.69 3.21
C10 1.42 1.79
C11 1.02 1.72
C12 12 + : 5.31 1.74
C13 1.74
C14 1.35
C15 1.34
C16 1.06
C17 1.02
C18 1.00
C19 0.90
C20 20 + : 9.18

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Thermodynamics - Pro II Simulation

Some well effluents compositions are reported in the table above. Using PRO II, draw on the same graph the
phase envelops of each well stream.

Figure out critical points and cricondenbars. Match the following names to their corresponding phase
envelops:

Dry Gas

Black Oil

Volatile Oil

What are your comments about critical points and cricondenbars locations?

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Thermodynamics - Pro II Simulation

2. Solution

Units, thermodynamics and components selection

Component
selection
UNITS: metric Thermodynamic: SRK

Environment definition

Phase envelops

Once the streams are built with respect to the given data, we can generate the different phase envelops
following the listed steps:

Select PHASE ENVELOP from the UTILITIES list, then drug it to the flow sheet

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Thermodynamics - Pro II Simulation

Select the STREAM NAMES within the PHASE ENVELOP window

Process
streams

To plot more
than one PH on
the same graph

Phase envelop displaying

We might need for comparison purpose to have on the same graph TWO (or more) PHASE
ENVELOPS. This is possible through the PLOT OPTIONS icon by choosing between
(INDIVIDUAL or COMPARISON) depending on your needs

Click on OPTIONS/GENRATE PLOT, then select the PHASE ENVELOP of interest

PHASE ENVELOPS of GAS, VOLATIL OIL and BLACK OIL streams are shown in the figure below

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Thermodynamics - Pro II Simulation

Phase diagrams of different types of well effluents

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Thermodynamics - Pro II Simulation

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Thermodynamics - Pro II Simulation

Comments

The phase envelops of heavier mixtures extend to the right side (higher temperatures). The area of the
diagram above about 400°c, is purely theoretical, since at these high temperatures, heavy hydrocarbons
tens to crack (decompose) and generate coke

The critical point of the mixtures is much higher than that of individual components (all critical points of a
pure hydrocarbon components are < 50 atm.a)

It switches to:

- The left side for a light compositions (gases) — both sides of the cricondenbar correspond to
saturated vapor state

- Switches to the right side for heavier compositions (oils) — both sides of the cricondenbar
correspond to saturated liquid state

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