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Steady State Seminar

Introductory Presentation John Edwards, P&I Design Ltd 2012

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CRYOGENIC BATCH REACTOR TYPICAL PROCESSES OPTIMISATION

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CRYOGENIC BATCH REACTOR PROCESS DEVELOPMENT OPTIMISATION

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CRYOGENIC BATCH REACTOR DESIGN SEQUENCE OPTIMISATION

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CRYOGENIC BATCH REACTOR CAUTIONARY STORY OPTIMISATION

Modelling requires engineering judgement Rules of thumb (heuristics) used in initial simulations Modelling enables the engineer to make mistakes faster Simulation sometimes will give a result different to intuition > check Plant problems should be reproducible in simulation Always verify results with independent calculation>rules of thumb Some of seminar cases have taken days to develop Modelling can be frustrating > one incorrect parameter is all it takes

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CRYOGENIC BATCH REACTOR IMPACT OF DESIGN ERRORS OPTIMISATION

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CRYOGENIC BATCH REACTOR SIMULATION PRINCIPLES OPTIMISATION

Steady State
Based on direct substitution of variable each iteration and speed up principles
Models plant behaviour using continuous, time interval based, steady state estimates Requires least effort to set up and calibrate the flowsheet Ideal for economic analysis and process optimization

Dynamic
Based on real time or speed up dynamics
Real plant and equipment performance, retention times and control systems Requires more information and more difficult to set up Ideal for troubleshooting, control loop tuning and real time study

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CRYOGENIC BATCH REACTOR SIMULATION PRINCIPLES OPTIMISATION

Process Unit / Total Plant Feeds Recycles Products

Batch Cycle Time, Volume Scale Continuous Steady State Varying Throughput Continuous Dynamic Start up, Shutdown, Feed Change , Composition Change

Dynamic simulation is series of steady state cases

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CHEMCAD SIMULATION SOFTWARE

CHEMCAD
Steady State

CC-BATCH
Batch Distillation

CC-Dynamics

Physical Properties Database


SAFETYNET
Relief-Piping Dynamics

FLASH

Reactors-Columns SIMULATION SUITE Heat Exchangers Relief-Piping

CC-THERM

CHEMCAD SOFTWARE

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CRYOGENIC BATCH REACTOR CHEMCAD PROCESS SIMULATOR OPTIMISATION


Graphical Representation of Process Unit Operation Symbols contain Math models Stream Connections with P-T-x Composition Mass & Energy Balances with Recycle Equipment Sizing

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CRYOGENIC BATCH REACTOR CHEMCAD INTERFACES OPTIMISATION

Microsoft Word Microsoft WordPad Microsoft Excel OPC-OLE for process control VBA/VSTA

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CRYOGENIC BATCH REACTOR CHEMCAD REPORT FORMATS OPTIMISATION

Reporting in Excel allows for data manipulation

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CRYOGENIC BATCH REACTOR CHEMCAD EQUIPMENT SIZING OPTIMISATION

Pipe networks Pump sizing Ventilation systems Relief devices Packed & plate towers Orifice plates, restriction orifice plates Control valves Shell and tube & plate heat exchangers Air cooled heat exchangers Plate heat exchangers Pipe in pipe heat exchanger Tank Sizing

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CRYOGENIC BATCH REACTOR REALITY IN SIMULATION OPTIMISATION

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CRYOGENIC BATCH REACTOR INTRODUCTORY SESSION OBJECTIVES OPTIMISATION

Steady state simulation principles Modelling procedure Draw flowsheets Manipulate text and lines Specify units Specify components Plot component properties User component for aqueous mixtures Introduce CHEMCAD sizing features Introduce Data Map facility

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MODELLING PROCEDURE
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Draw Flowsheet
Select Thermodynamics Specify Feed Streams Run Simulation Analyze Results Final PFD Report
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Set Engineering Units


Run Wizard Specify T & P Specify UnitOps Equipment Sizing

Select Convergence
Adjust K Set Local K Controllers & Convergence Sensitivity Analyses Sizing Reports Consider Data Maps

Select Components
Set Global Phase SLV Data Map & Execution Rule

Consider Electrolytes
Adjust H Set Local H

Optimise

SIMULATION SUITE CHEMCAD SOFTWARE


GUI Presentation
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TPxy-UnitOp Plots Component PPD Plots

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CRYOGENIC BATCH REACTOR CASE 2.01 TUTORIAL FLOWSHEET OPTIMISATION

SAVE!!!
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CRYOGENIC BATCH REACTOR SPECIFY ENGINEERING UNITS OPTIMISATION

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CRYOGENIC BATCH REACTOR UNIT CONVERTER OPTIMISATION

Enter data in your units Press enter to calculate then press OK

Select cell F6 Selects Unit Converter


F7 Selects Calculator

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CRYOGENIC BATCH REACTOR CONVERGENCE OPTIMISATION

DIRECT SUBSTITUTION Value replaced after each iteration WEGSTEIN ACCELERATION Value replaced after three iterations-speed up frequency 3 DOMINANT EIGEN VALUE Value replaced after four iterations-speed up frequency 4 CALCULATION STEPS / ITERATIONS Default set at forty CONVERGENCE PARAMETERS Value change on subsequent iteration Tolerance 0.001 equivalent 10-3 absolute value
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CRYOGENIC BATCH REACTOR SELECT COMPONENTS OPTIMISATION

Double click or select

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CRYOGENIC BATCH REACTOR RUN THERMODYNAMIC WIZARD OPTIMISATION

Enter service fluids

Use for guidance only MUST verify against plant data


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CRYOGENIC BATCH REACTOR THERMODYNAMIC WIZARD DECISION TREE OPTIMISATION


SINGLE COMP HEAVY HC MULTI

CHEMICAL SYSTEM

OTHER

CHEM<13BAR SYSTEM
Data>50%

OTHER

>70C
CHEM>13BAR TEMP K=SRK H=SRK <70C K=PSRK H=MIXH K=PR H=PR
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K=VAP H=LATE

K=VAP H=SRK

NRTL,Wilson UNIQUAC
Data<50%

SPECIAL METHODS AMINE


K=AMINE H=AMINE

UNIFAC H=LATE (all)

SOUR
K=SOUR H=SRK

<7BAR
PRESS K=ESSO 90 to 200C H=LK

>7BAR

POLYMER
K=UPLM H=LATE

HCL/NH3
K=PPAQ H=SRK HTSL www.chemstations.net www.chemstations.com

K=GS (P<200BAR) H=LK

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CRYOGENIC BATCH REACTOR SPECIFY THERMODYNAMICS OPTIMISATION

Use V/L/L/S for extraction & azeotropes

Check when Electrolytes

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CRYOGENIC BATCH REACTOR SPECIFY FEED STREAM OPTIMISATION

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CRYOGENIC BATCH REACTOR SPECIFY UNITOPS OPTIMISATION

Heat Exchanger 1 > Stream 2 > Vapor Fraction 1 Heat Exchanger 2 > Stream 3 > -10 deg C Pipe 5 > D = 200 mm L =50m Flash 3 > Mode 0 Inlet T&P Valve 6 > Outlet Pressure 9 bara Tower 4 > Stages 12 with Feed Stage 1 > Top Pressure 8.6 bara > Column DP 0.34 bar > Bottom mf propane 0.01

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CRYOGENIC BATCH REACTOR CASE 2.02 TUTORIAL DATA OPTIMISATION

OBJECTIVE: MINIMIZE TOLUENE & BENZENE DISCHARGE TO ATMOSPHERE

SERVICES COOLING WATER AT 85 deg F & 50 psia GLYCOL AT -60 deg F STRATEGY CONSIDER COOLING, COMPRESSION & RECYCLE
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CRYOGENIC BATCH REACTOR CASE 12.01 VOC MINIMIZATION STUDY OPTIMISATION

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CRYOGENIC BATCH REACTOR THERMODYNAMIC SESSION OBJECTIVES OPTIMISATION

THERMODYNAMICS
Introduce Thermodynamic Wizard Review K Model facilities Review L Model facilities Physical Property Library Physical Property Plot facility User components User component for aqueous mixtures Introduce CHEMCAD sizing features Introduce Data Map facility

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CRYOGENIC BATCH REACTOR THERMODYNAMICS - ENTHALPY OPTIMISATION

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CRYOGENIC BATCH REACTOR THERMODYNAMICS - PHASES OPTIMISATION

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CRYOGENIC BATCH REACTOR THERMODYNAMIC WIZARD DECISION TREE OPTIMISATION


SINGLE COMP HEAVY HC MULTI

CHEMICAL SYSTEM

OTHER

CHEM<13BAR SYSTEM
Data>50%

OTHER

>70C
CHEM>13BAR TEMP K=SRK H=SRK <70C K=PSRK H=MIXH K=PR H=PR
www.chemcad.co.uk

K=VAP H=LATE

K=VAP H=SRK

NRTL,Wilson UNIQUAC
Data<50%

SPECIAL METHODS AMINE


K=AMINE H=AMINE

UNIFAC H=LATE (all)

SOUR
K=SOUR H=SRK

<7BAR
PRESS K=ESSO 90 to 200C H=LK

>7BAR

POLYMER
K=UPLM H=LATE

HCL/NH3
K=PPAQ H=SRK HTSL www.chemstations.net www.chemstations.com

K=GS (P<200BAR) H=LK

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CRYOGENIC BATCH REACTOR THERMODYNAMIC MODEL SELECTION OPTIMISATION

PHASE GAS VLE VAP ONLY SYSTEM HYDROCARBON NAT GAS

LIQUID
LIQUID SYSTEM AZEOTROPE LLE BIP MODEL LLE BIPS H=LATENT HEAT

GAS EQUATION SOAVE REDLICH KWONG(SRK)

BENEDICT WEBB RUBIN H=LEE KESSLER

IDEAL VAPOR PRESSURE


H=LATENT HEAT

PENG ROBINSON GRAYSON STEED H=LEE KESSLER NO IDEAL NRTL (5 PAR) UNIQUAC (2 PAR) UNIFAC(INCREM) H=LATENT HEAT
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NRTL (5 PAR) UNIQUAC (2 PAR) UNIFAC(INCREM) YES

IDEAL VAP PRESS GAS EQUATION BIP MODEL H=LATENT HEAT


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CRYOGENIC BATCH REACTOR THERMO MODEL SELECTION OPTIMISATION

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CRYOGENIC BATCH REACTOR THERMO MODEL SELECTION OPTIMISATION

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CRYOGENIC BATCH REACTOR THERMO MODEL SELECTION OPTIMISATION

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CRYOGENIC BATCH REACTOR THERMODYNAMIC MODEL SELECTION OPTIMISATION

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CRYOGENIC BATCH REACTOR THERMODYNAMICS BUBBLE POINT & DEW POINT OPTIMISATION

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CRYOGENIC BATCH REACTOR LIBRARY EQUATIONS IN CHEMCAD OPTIMISATION

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CRYOGENIC BATCH REACTOR PHYSICAL PROPERTY DATA PLOTS OPTIMISATION


Heat Transfer Fluids Liquid Specific Heats

4.5

4.0

Liquid Specific Heat (kJ/kg-K)

3.5

Dowtherm A Dowtherm J Dowtherm Q Syltherm XLT 50% EtGlycol Water Therminol 55 Therminol 59 Therminol LT Transcal LT

3.0

2.5

2.0

1.5

1.0 -50 0 50 Operating Temperature (degC)


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100

150

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CRYOGENIC BATCH REACTOR PHYSICAL PROPERTY DATA PLOTS OPTIMISATION


Heat Transfer Fluids Liquid Viscosities

100

Dowtherm A

Liquid Viscosity (cP)

Dowtherm J 10 Dowtherm Q Syltherm XLT 50% EtGlycol Water Therminol 55 1 Therminol 59 Therminol LT Transcal LT

0.1 -100

-50

50

100

150

Operating Temperature (degC)


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CRYOGENIC BATCH REACTOR THERMODYNAMIC MODEL SELECTION OPTIMISATION

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CRYOGENIC BATCH REACTOR TPxy & ACTIVITY COEFFICIENT PLOTS OPTIMISATION

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CRYOGENIC BATCH REACTOR xy RELATIVE VOLATILITY OPTIMISATION

xy Diagram System Benzene Toluene NRTL at constant pressure


1 0.9
Benzene Vpaour (y mole fraction)

0.8
Increasing

0.7 0.6 0.5 0.4 0.3 0.2 0.1 0 0 0.1 0.2 0.3
760 mm Hg

0.4

0.5

0.6

0.7
25 mm Hg

0.8

0.9

Benzene Liquid (x mole fraction)


Relative Volatility = 1.0

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CRYOGENIC BATCH REACTOR CASE 4.01 FLASH FUNDAMENTALS OPTIMISATION

SET EXECUTION RULES

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CRYOGENIC BATCH REACTOR CASE 4.01 FLASH FUNDAMENTALS OPTIMISATION

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CRYOGENIC BATCH REACTOR RESIDUE CURVE MAPS OPTIMISATION


CEiP 9-p339

Low boiling node High boiling node Saddle Distillation boundary Residue curves

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CRYOGENIC BATCH REACTOR CHEMCAD RESIDUE CURVE MAPPING OPTIMISATION

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CRYOGENIC BATCH REACTOR AZEOTROPE FINDERS OPTIMISATION

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