Modelling, Simulation and Optimization of
           Refining Processes




            Jacques Niederberger, M.Sc.
   PETROBRAS Research & Development Center (CENPES)
                     August/2009
Summary

   Introduction
   Oil characterization
   Modelling Refining Processes
   Optimization Aspects
Introduction: PETROBRAS
    operations and R&D
PETROBRAS
                                                          AN INTEGRATED ENERGY COMPANY


              Total Investments:                                            15 Refineries
             US$ 29 billion in 2008                             Installed Capacity: 2.125 million bpd


                                                                              Natural Gas Production:
     Employees: 74,204                                                       420 thousand boe per day




                                      Net Operating Revenues
                                       US$ 127 billion (2008)


   Proved Reserves :                                                               Oil Production:
15.1 billion barrels of oil                                                 1,980 thousands barrels per
and gas equivalent (boe)                                                      day (bpd) of oil and LPG




         Natural Gas Sales:
                                                                            Gas stations: 6,485
          65 million m3/d
                                      Thermoeletric Energy
                                      Plants : 10
                                      Installed Capacity : 1,912 MW                           Dec 2004
Modelling, Simulation and Optimization of Refining Processes
PETROBRAS
INDUSTRIAL UNITS IN BRAZIL
R&D EXPENDITURES

        2.000
        1.750
        1.500
        1.250
R$ MM




        1.000
         750
         500
         250
           0
                2000   2001   2002   2003   2004   2005   2006   2007     2008              CENPES
                                            Ano                                         137 Laboratories


          EXAMPLES OF MAIN CHALLENGES                                   14 TECHNOLOGY PROGRAMS

           Ultra deep water production technology
           Production in the Pre-salt sequence
           Lower environmental impact products
           Better output products                                                           Optimization
                                                                             Pre-salt             &
           Zero discharge / zero emissions processes                                         Reliability
TECHNOLOGICAL INTEGRATION




                                   R&D
                                  CENTER

Types:
                                                   Types:
 Contracts and agreements with Universities        Joint Industry Projects
   and Research Centers                             Cooperating Research
                                                    Strategic Alliances
 National networks of excellence - about           Technology Interchange
   different oil & gas themes

Over 120 Brazilian Institutions                    Over 70 International Institutions
Oil Characterization
• What is oil ?


• Where does it come from ?
EXPERIMENTAL DATA



Complete assay contains:
 Distillation curve
 Specific Gravity curve
 Light end contents
 Viscosity
 Sulphur, nitrogen and metals contents
 Other properties
TRADITIONAL
                             CHARACTERIZATION
                                PROCEDURE


True Boiling Point Curve - TBP
• Product withdraws at constant volume or at
  constant temperature
• Near ideal fractionation
• Long time demanded, high cost
TRADITIONAL
                                 CHARACTERIZATION
                                    PROCEDURE
                 Crude Oil TBP
temperature, C
o




                   % vaporized
TRADITIONAL
                                 CHARACTERIZATION
                                    PROCEDURE
                 Crude Oil TBP
temperature, C
            o




                   % vaporized
TRADITIONAL
                                       CHARACTERIZATION
                                          PROCEDURE
  Distillation curve,
   Specific gravity                        Pseudo-components
                        Characterization
                           Method


Pseudo-component: fake component, oil fraction.

Crude oil and its derivatives are hydrocarbons mixtures,
 well described by cubic equations of state (SRK, PR)
The characterization method provides pseudo-
component properties: Tc, Pc, w, PM, d60, Teb, etc.
IMPROVED
                              CHARACTERIZATION


Instead of pseudocomponents, real
  molecules.
• Group of molecules typically present in a
  determined fraction
• Bulk properties: distillation curve and
  specific gravity
• Mixture composition obtained through an
  optimization method
Modelling Refining Processes
TYPICAL REFINERY
     SCHEME
EFFECTS OF THE
                             CHARACTERIZATION
                                 METHOD

 Processes involving chemical reactions:

   Heavy Feedstock → Gases + Light
    Distillates + Medium Distillates +
    unconverted
                        or
   Heavy Feedstock + H2 → Organic Gases
    + H2S + NH3 + Light Distillates + Medium
    Distillates + unconverted
EFFECTS OF THE
                        CHARACTERIZATION
                            METHOD


How to model chemical reactions ?

Kinetics x Thermodynamics

Kinetics: reaction order, kinetic
parameters

Thermodynamics: Gibbs free energy
EFFECTS OF THE
                     CHARACTERIZATION
                         METHOD


Either Kinetics or Thermodynamics
require pure component data.

Pseudo-component approach:
not good!
Compositional approach:
no big deal!
EFFECTS OF THE
                       CHARACTERIZATION
                           METHOD


If we characterize using molecules:
EFFECTS OF THE
                       CHARACTERIZATION
                           METHOD


•How to build phenomenological
models of conversion processes
dealing with pseudocomponents ?

•Relating the overall conversion and
product profile to bulk properties of
the feedstock and process
conditions.
REFINING PROCESSES
                           MODELLING


•We model phase equilibrium and
separation process with the traditional
tools provided by Thermodynamics


•And for the conversion processes we
build semi-empirical models
REFINING PROCESSES
                            MODELLING



•Main conversion processes:
FCC – fluid catalytic cracking
Delayed Coking
Hydrotreating
HCC – catalytic hydrocracking
REFINING PROCESSES
                          MODELLING


For instance, in the FCC process:

Gasoil → Combustible gas + LPG +
Naphta + LCO + DO + coke
•Overall conversion depends on:
feedstock properties
catalyst properties
hardware geometry
process conditions
REFINING PROCESSES
                          MODELLING

•Product profile depends on:
feedstock properties
catalyst properties
hardware geometry
process conditions

•Product properties depend on:
 ...
REFINING PROCESSES
                           MODELLING


How do we address any other effect
not directly taken into account by the
semi-empirical model ?
Introducing adjustable tuning
parameters in the model.

Process data is necessary for fitting
the parameters.
REFINING PROCESSES
                          MODELLING



Quality of the model predictions
equals the quality of process and
feedstock data
Optimization Aspects
REFINING PROCESSES
                         OPTIMIZATION



What does optimization mens ?
Generally speaking, any improvement
in a process with a few degrees of
freedom may be called optimization.

From our point of view, optimization is
finding THE best solution, in a system
with one ore more degrees of freedom.
SCOPE X TIME SCALE



         Task                     Scope                 Time horizon
Planning operations and All the eleven Petrobras’ 5 to 20 years
   The scope of the optimization problem and
invesments for the next refineries
   the time horizon varies in the same
years

  direction.
Designing a new plant    One or more units of a            5 years
                         refinery

Planning the production One single refinery            Monthly, weekly
of a sigle industrial plant

Optimizing   operating   Crude distillation + FCC     Every 1 or 2 hours
conditions of one or     converter      +     FCC
more units of a single   fractionation section of a
plant                    refinery
SCOPE X MODEL
                                                   COMPLEXITY

  The largerTask scope, the simpler must be
                    the                         Model type
Planning operations and investments for the Linear models (linear
  the model.
next years                                     programming)


Planning the production of an entire refinery      Linear models (linear
                                                      programming)


Designing a new unit                            Rigorous mixed integer-non-
                                                   linear models (MINLP)


Optimizing operating conditions of one or       Rigorous non-linear models
more units of a single plant
OPTIMIZATION &
                                                     PROCESS DESIGN

      Design                                Synthesis


                                                Initial estimates

                       Decision variables
      Analysis

   Mass & energy
     balances


                                                   Optimization
Equipment sizing and
   cost estimates                      Parametric                    Structural
                                      Optimization                  Optimization

     Economic
     Evaluation




                                 Final Design
OPERATING CONDITIONS
                                         OPTIMIZATION - OFF LINE

PROCESS DATA
                         DATA RECONCILIATION     RECONCILED PROCESS
                                                       DATA




                 MODEL TUNING &                       GROSS ERRORS
                  OPTIMIZATION                         DETECTION
  UNIT




                                                      MAINTENANCE
                              PROCESS ENGINEER


CONTROL SYSTEM




                                  OPERATOR
PROCESS AUTOMATION
    HIERARCHY
OPERATING CONDITIONS
                       OPTIMIZATION - RTO

Many plants don’t have a much stable
operation.
Optimal conditions for one
determined run may not be the best
for another run.
If optimization is off-line, we need to
re-optimize for every different run.
OPERATING CONDITIONS
                      OPTIMIZATION - RTO

Imagine if we had an optimization
machine that could read process data
at real time, tune automatically the
process model, run automatically the
optimization problem and send
automatically the optimal conditions
for the digital control system …
That would be Real Time Optimization -
RTO.
RTO STRUCTURE

            Hibernation



      Steady State Detection



No
              Stationary ?



                        Yes

           Model tuning


           Optimization




No
                Solution
               obtained?


                           Yes

     New setpoints for the control
               system
RTO benefits

Real Time Optimization
 PETROBRAS experience: RTO implemented on
  Distillation and FCC Units using Equation Oriented and
  Sequential Modular approaches
RTO benefits

Real Time Optimization
 FCC Example: Operational modifications (Reaction
  temperature, Feed temperature and Main Fractionator
  top reflux) due to RTO
RTO Challenges

 RTO runs only when the unit is Steady
    but what is Steady State?
    commercial applications use a kind of statistical
     approach (mean, std dev, Student and F-test) along
     with some heuristics (“tuning factor”) on a set of the
     most representative variables (temperatures and flow
     rates linked to the unit heat and mass balance)
    do we really have to wait Steady-State?
    it can take 1-2 hours between runs
       if a disturbance enters the unit in between  no RTO
        run  maybe for a long period
       Change the “tuning factor” or improve APC / Regulatory
        control
RTO Challenges

Real Time Optimization
 How to deal with the “unknown” feed composition (especially
  in Distillation)?
    Online analyzers  NMR or NIR?
    Lab analysis  frequence? Methods?
    Feed Reconciliation  as long as you have
     confidence on the model, use it as an analyzer
       Redistribute the amount of the pseudocomponents in
        order to match some information from the unit
        (operations and product quality)
       It is an optimization problem  maybe the most difficult
        one (more than the profit optimization)
RTO Challenges

Real Time Optimization
 Non convergence tracking: it is a hard task, sometimes, to
  find out the origin of the failure, especially, when it is not
  associated with instrumentations or well-known process
  problems

 Initialization techniques

 Scaling: heuristic rules X numerical analysis of the system

 Integrating multiple process unities: how to deal with the
  increasing problem size to get the most of integrated unities
  optimization and its flexibilities?
            How to deal with non convergence?
RTO Challenges

Real Time Optimization
 Entire plant rigorous RTO – feasible, but still not possible

 Multi-scale Optimization: integration and       information
  exchange between different optimization levels is an issue
  that demands more attention

 Dynamic RTO: it is still an open issue
            Computational efforts?
            Numerical issues?
            How to implement it on industrial applications?
Questions ?

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Modelling, Simulation and Optimization of Refining Processes

  • 1. Modelling, Simulation and Optimization of Refining Processes Jacques Niederberger, M.Sc. PETROBRAS Research & Development Center (CENPES) August/2009
  • 2. Summary  Introduction  Oil characterization  Modelling Refining Processes  Optimization Aspects
  • 3. Introduction: PETROBRAS operations and R&D
  • 4. PETROBRAS AN INTEGRATED ENERGY COMPANY Total Investments: 15 Refineries US$ 29 billion in 2008 Installed Capacity: 2.125 million bpd Natural Gas Production: Employees: 74,204 420 thousand boe per day Net Operating Revenues US$ 127 billion (2008) Proved Reserves : Oil Production: 15.1 billion barrels of oil 1,980 thousands barrels per and gas equivalent (boe) day (bpd) of oil and LPG Natural Gas Sales: Gas stations: 6,485 65 million m3/d Thermoeletric Energy Plants : 10 Installed Capacity : 1,912 MW Dec 2004
  • 7. R&D EXPENDITURES 2.000 1.750 1.500 1.250 R$ MM 1.000 750 500 250 0 2000 2001 2002 2003 2004 2005 2006 2007 2008 CENPES Ano 137 Laboratories EXAMPLES OF MAIN CHALLENGES 14 TECHNOLOGY PROGRAMS  Ultra deep water production technology  Production in the Pre-salt sequence  Lower environmental impact products  Better output products Optimization Pre-salt &  Zero discharge / zero emissions processes Reliability
  • 8. TECHNOLOGICAL INTEGRATION R&D CENTER Types: Types:  Contracts and agreements with Universities  Joint Industry Projects and Research Centers  Cooperating Research  Strategic Alliances  National networks of excellence - about  Technology Interchange different oil & gas themes Over 120 Brazilian Institutions Over 70 International Institutions
  • 10. • What is oil ? • Where does it come from ?
  • 11. EXPERIMENTAL DATA Complete assay contains:  Distillation curve  Specific Gravity curve  Light end contents  Viscosity  Sulphur, nitrogen and metals contents  Other properties
  • 12. TRADITIONAL CHARACTERIZATION PROCEDURE True Boiling Point Curve - TBP • Product withdraws at constant volume or at constant temperature • Near ideal fractionation • Long time demanded, high cost
  • 13. TRADITIONAL CHARACTERIZATION PROCEDURE Crude Oil TBP temperature, C o % vaporized
  • 14. TRADITIONAL CHARACTERIZATION PROCEDURE Crude Oil TBP temperature, C o % vaporized
  • 15. TRADITIONAL CHARACTERIZATION PROCEDURE Distillation curve, Specific gravity Pseudo-components Characterization Method Pseudo-component: fake component, oil fraction. Crude oil and its derivatives are hydrocarbons mixtures, well described by cubic equations of state (SRK, PR) The characterization method provides pseudo- component properties: Tc, Pc, w, PM, d60, Teb, etc.
  • 16. IMPROVED CHARACTERIZATION Instead of pseudocomponents, real molecules. • Group of molecules typically present in a determined fraction • Bulk properties: distillation curve and specific gravity • Mixture composition obtained through an optimization method
  • 19. EFFECTS OF THE CHARACTERIZATION METHOD  Processes involving chemical reactions:  Heavy Feedstock → Gases + Light Distillates + Medium Distillates + unconverted or  Heavy Feedstock + H2 → Organic Gases + H2S + NH3 + Light Distillates + Medium Distillates + unconverted
  • 20. EFFECTS OF THE CHARACTERIZATION METHOD How to model chemical reactions ? Kinetics x Thermodynamics Kinetics: reaction order, kinetic parameters Thermodynamics: Gibbs free energy
  • 21. EFFECTS OF THE CHARACTERIZATION METHOD Either Kinetics or Thermodynamics require pure component data. Pseudo-component approach: not good! Compositional approach: no big deal!
  • 22. EFFECTS OF THE CHARACTERIZATION METHOD If we characterize using molecules:
  • 23. EFFECTS OF THE CHARACTERIZATION METHOD •How to build phenomenological models of conversion processes dealing with pseudocomponents ? •Relating the overall conversion and product profile to bulk properties of the feedstock and process conditions.
  • 24. REFINING PROCESSES MODELLING •We model phase equilibrium and separation process with the traditional tools provided by Thermodynamics •And for the conversion processes we build semi-empirical models
  • 25. REFINING PROCESSES MODELLING •Main conversion processes: FCC – fluid catalytic cracking Delayed Coking Hydrotreating HCC – catalytic hydrocracking
  • 26. REFINING PROCESSES MODELLING For instance, in the FCC process: Gasoil → Combustible gas + LPG + Naphta + LCO + DO + coke •Overall conversion depends on: feedstock properties catalyst properties hardware geometry process conditions
  • 27. REFINING PROCESSES MODELLING •Product profile depends on: feedstock properties catalyst properties hardware geometry process conditions •Product properties depend on: ...
  • 28. REFINING PROCESSES MODELLING How do we address any other effect not directly taken into account by the semi-empirical model ? Introducing adjustable tuning parameters in the model. Process data is necessary for fitting the parameters.
  • 29. REFINING PROCESSES MODELLING Quality of the model predictions equals the quality of process and feedstock data
  • 31. REFINING PROCESSES OPTIMIZATION What does optimization mens ? Generally speaking, any improvement in a process with a few degrees of freedom may be called optimization. From our point of view, optimization is finding THE best solution, in a system with one ore more degrees of freedom.
  • 32. SCOPE X TIME SCALE Task Scope Time horizon Planning operations and All the eleven Petrobras’ 5 to 20 years The scope of the optimization problem and invesments for the next refineries the time horizon varies in the same years direction. Designing a new plant One or more units of a 5 years refinery Planning the production One single refinery Monthly, weekly of a sigle industrial plant Optimizing operating Crude distillation + FCC Every 1 or 2 hours conditions of one or converter + FCC more units of a single fractionation section of a plant refinery
  • 33. SCOPE X MODEL COMPLEXITY The largerTask scope, the simpler must be the Model type Planning operations and investments for the Linear models (linear the model. next years programming) Planning the production of an entire refinery Linear models (linear programming) Designing a new unit Rigorous mixed integer-non- linear models (MINLP) Optimizing operating conditions of one or Rigorous non-linear models more units of a single plant
  • 34. OPTIMIZATION & PROCESS DESIGN Design Synthesis Initial estimates Decision variables Analysis Mass & energy balances Optimization Equipment sizing and cost estimates Parametric Structural Optimization Optimization Economic Evaluation Final Design
  • 35. OPERATING CONDITIONS OPTIMIZATION - OFF LINE PROCESS DATA DATA RECONCILIATION RECONCILED PROCESS DATA MODEL TUNING & GROSS ERRORS OPTIMIZATION DETECTION UNIT MAINTENANCE PROCESS ENGINEER CONTROL SYSTEM OPERATOR
  • 36. PROCESS AUTOMATION HIERARCHY
  • 37. OPERATING CONDITIONS OPTIMIZATION - RTO Many plants don’t have a much stable operation. Optimal conditions for one determined run may not be the best for another run. If optimization is off-line, we need to re-optimize for every different run.
  • 38. OPERATING CONDITIONS OPTIMIZATION - RTO Imagine if we had an optimization machine that could read process data at real time, tune automatically the process model, run automatically the optimization problem and send automatically the optimal conditions for the digital control system … That would be Real Time Optimization - RTO.
  • 39. RTO STRUCTURE Hibernation Steady State Detection No Stationary ? Yes Model tuning Optimization No Solution obtained? Yes New setpoints for the control system
  • 40. RTO benefits Real Time Optimization  PETROBRAS experience: RTO implemented on Distillation and FCC Units using Equation Oriented and Sequential Modular approaches
  • 41. RTO benefits Real Time Optimization  FCC Example: Operational modifications (Reaction temperature, Feed temperature and Main Fractionator top reflux) due to RTO
  • 42. RTO Challenges  RTO runs only when the unit is Steady  but what is Steady State?  commercial applications use a kind of statistical approach (mean, std dev, Student and F-test) along with some heuristics (“tuning factor”) on a set of the most representative variables (temperatures and flow rates linked to the unit heat and mass balance)  do we really have to wait Steady-State?  it can take 1-2 hours between runs  if a disturbance enters the unit in between  no RTO run  maybe for a long period  Change the “tuning factor” or improve APC / Regulatory control
  • 43. RTO Challenges Real Time Optimization  How to deal with the “unknown” feed composition (especially in Distillation)?  Online analyzers  NMR or NIR?  Lab analysis  frequence? Methods?  Feed Reconciliation  as long as you have confidence on the model, use it as an analyzer  Redistribute the amount of the pseudocomponents in order to match some information from the unit (operations and product quality)  It is an optimization problem  maybe the most difficult one (more than the profit optimization)
  • 44. RTO Challenges Real Time Optimization  Non convergence tracking: it is a hard task, sometimes, to find out the origin of the failure, especially, when it is not associated with instrumentations or well-known process problems  Initialization techniques  Scaling: heuristic rules X numerical analysis of the system  Integrating multiple process unities: how to deal with the increasing problem size to get the most of integrated unities optimization and its flexibilities?  How to deal with non convergence?
  • 45. RTO Challenges Real Time Optimization  Entire plant rigorous RTO – feasible, but still not possible  Multi-scale Optimization: integration and information exchange between different optimization levels is an issue that demands more attention  Dynamic RTO: it is still an open issue  Computational efforts?  Numerical issues?  How to implement it on industrial applications?