ECUST PROII Advanced Training

PRO/II Training
ECUST
PRO/II
Advanced
Training
Copyright 2004 SIMSCI-ESSCOR All Rights Reserved
PRO/II Training
What
is
the
Power
of
Simulation3?
Who we are
trusted results
Provider of software and services to the

Hydrocarbon and Power industries that allow for
plant start-up, operation and
efficient:
training of operators with
plants and processes

steady state & dynamic
simulation
(PRO/II, HEXTRAN,
VISUAL FLOW,INPLANT
PIPEPHASE, DYNSIM,
TACITE,
iFEED Suite/COMOS)
modeling, dynamic
simulation & control
emulation
design
operate
increased
profitability
optimize
(PRO/II, DATACON, OTS,

DYNSIM, FSIM)
advisory and closed loop of

their processes
(ROMeo, ARPM, Connoisseur,
PRO/II, NETOPT)
focused on simulation
2
PRO/II Training
SimSci-Esscors
Vision
Be the leading provider of software and solutions
for
Simulation & Modeling

Performance Monitoring
Optimization
Operator Training
Data Reconciliation
Integrated Process Engineering
Collaborative Engineering
Use the Best-in Class Technology
& Expertise
Control Checkout
Reactors
Thermodynamics
Intuitive Engineering GUI
Separations
Heat Exchange
Applied
Simulation
Every Engineers
Desktop
Deliver
Performance
for our Customers
Improved
Fluid
Flow Asseton
Optimization
3
PRO/II Training
products
sample applications verticals
sim4me
SIM4ME - Delivering
on our Vision
Hydrocarbon
Power
Pulp & Paper
Process
Design
High Fidelity
OTS
MRA &
ROMeo
Flare System
Design
Decision
Support
PowRx
Well Design/
Nodal Analysis
Engineering
Studies
Oil/Gas
Crude
FCCU
Ethylene
Debottlenecking
PRO/II
HEXTRAN
Oil/Gas
Crude
FCCU
PIPEPHASE
NETOPT
DYNSIM
OTS
FSIM
TACITE
design
operate
VISUAL FLOW
Plant
Lifecycle
ATI/Hyprotech
CANNOT do this
easily with their
current
architecture!
Ethylene
Crude
FCCU
Gas Lift
Optimization
ROMeo
ARPM
MRA
Connoisseur
optimize
Management
PRO/II Training
Application During Plant Lifecycle

SIM4ME
Basic Design
Concept
Revamp
tate
S
y
d
Stea
Engin
eering
Dbs
D
On
line
Op
tim
Ad
iz a
van
tio
ced
n
S im
C
on
u la
tro
tio
n&
l
Pla
nn
ing
Detailed Design
yn
am
ic
Plant
Design
Si
m
ul
at
io
n
ol
r
t
n
Co
m
ste
y
S
Controls
Operator Training
Operation
Commissioning
Construction
5
PRO/II Training
Process Engineering Suite

PRO/II
Process Flowsheet Simulator for Design,

Operational Analysis, and Optimization
HEXTRAN
Heat Exchanger Network Simulator for Design,

Operational Analysis, and Optimization
DATACON
Data Reconciliation Program for

Heat/Mass/Composition balance on plant data
INPLANT
Plant Piping and Utility Systems Flow Simulator
VISUAL FLOW
Flare Network and Regulatory Compliance

Simulator
6
PRO/II Training
PES Features
Enhances productivity in the plant life

cycle
Basic Design
Concept
Revamp
PLANT
LIFE
CYCLE
Detailed Design
Plant
Design
Controls
Operation &
Troubleshooting
Commissioning
Construction
7
PRO/II Training
Integration within PES

Hextran
MS Office
Datacon
PRO/II
Inplant
Complete
Could be done
The Plant
Visual Flow
8
PRO/II Training
Introduction
History of PRO/II
First Generation: 1974
Second Generation: 1979
PRO/II with Provision 4.x

PRO/II with Provision 5.x
version 5.61 March of 2002
Sixth Generation: 2003
Version 3.30 - Spring of 1993
Fifth Generation: 1997
PRO/II Simulation Program
Forth Generation: 1995
Process Simulation Program
Third Generation: 1988
SSI/100 Simulation Program
Over 40 new features
Seven Generation: 2004
Just released in August 2004
PRO/II Training
PES Solution Client Benefits
Reduced process engineering time & cost

Reduced plant capital cost
Reduced plant lifecycle costs
Increased plant operating profits
higher product rates

improved product quality
lower operating costs
more feed flexibility
A valuable tool for experienced process manager

and engineers
10
PRO/II Training
Flowsheets Features
PRO/II is much better for larger flowsheets
No over-specify flowsheet
Recycles estimates not required
Recycle block not required
More option to define sequence
Easier diagnosis of problems since each specification in
linked to a particular unit operation and color indicates
status.
11
PRO/II Training
Distillation Features
Multiple column algorithms to model complex columns
IO, Sure, Chemdist, Liquid-Liquid, Electrolytes, Enhanced IO
Multiple methods for generating initial estimated values
Simple, Conventional, Refinery, Chemdist, Electrolytes
Reactive distillation
robust algorithm
derivative data not required
Tray Hydraulic for rating and design
Volve, Sieve, and Cap structured tray
Sulzer structured packing
Norton random packing
12
PRO/II Training
Reaction Option
Enter reactions in the reaction data section
In Reactor units, select which reactions to use
First Create
a Library of
Reaction Data
Then Select
Reactions
for Each Unit
13
PRO/II Training
Reactor Types
General: (no reactor geometry required)
CONVERSION REACTOR (multiple reactions)
EQUILIBRIUM REACTOR (multiple reactions)
Kinetic: (reactor geometry required)

PLUG FLOW REACTOR (PFR)
CONTINUOUS STIRRED TANK REACTOR (CSTR)
GIBBS: (stoichiometry optional)

Free energy minimization
Kinetics not considered
14
PRO/II Training
Optimizer Features
Optimize based on an objective function
Utilizing tag data values
No needs to have a dynamic calculation
Automatic identification of the best design or
operating conditions from a collection of
alternatives
Frees user from evaluating all possible cases
15
PRO/II Training
User-Added Program Features

UAS/PDTS enhancements
additional function calls

additional subroutines
additional simulation database access
full documentation
supported in PROVISION
16
PRO/II Training
Tag Data Features

Directly access plant historical data
Read tag data from a file
Read tag data from server
PI
ODBC
@aGlance/IT
AIM
Write tag data back to a file
17
PRO/II Training
OLE Features
OLE/COM Automation Layer
documented access to simulation database for most
data
two way link
y simulation data out, design/plant data in
any OLE compliant application

y e.g. MS Office can use VB or VBA
used for Zyqad or Icarus interface

examples available at www.simsci.com
18
PRO/II Training
Spreadsheet Tools
19
PRO/II Training
OLE Automation
20
PRO/II Training
11
Operator Interface
TURBOEXPANDER PLANT
C1
100
10
8
E1
2
E2
2
3X
3
4
7
5
6
6
7
Feed
Flowrate
Pressure
Temperature
Composition
N2
C1
C2
C3
IC4
NC4
IC5
NC5
NC6
NC7
100
1016700.0000 FT3/HR
587.0000 PSIG
120.0000 F
Range
Products
Flowrate
Pressure
Temperature
Composition
N2
C1
C2
C3
IC4
NC4
IC5
NC5
NC6
NC7
7.9100
73.0500
7.6800
5.6900
0.9900
2.4400
0.6900
0.8200
0.4200
0.3100
9
483.7454
125.0000
24.0874
0.0000
0.0086
0.3633
0.3141
0.0548
0.1351
0.0382
0.0454
0.0233
0.0172
11
D1
2195.4231
LB-MOL/HR
161.2292 PSIG
5
157.5738 F
0.0965
0.8896
0.0137
0.0002
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
X1
T1
10
9
V1
Units
X1 adiabatic efficiency
X1 outlet pressure
C1 adiabatic efficiency
C1 work from X1
T1 top pressure
T1 C1:C2 ratio bottom
E1 HICO
Stream 3 temperature
80.0000
125.0000
75.0000
0.9000
125.0000
0.0150
10.0000
-83.9990
%
PSIG
%
0-100
0-100
0-1
PSIG
0-1
F
F
Units
Reboiler duty
E1 duty
E2 duty
X1 actual work
C1 actual work
2.2889
5.2814
4.9133
392.2247
353.0023
MM BTU/HR
MM BTU/HR
MM BTU/HR
HP
HP
Run Simulation
21
Introduction
PRO/II Training
Simulation in Seven Steps

2
Check
Units
of
Measur
3
e
Build
Flowshe
et
Select
Therm
o
5
Define
Compone
nts
Suppl
y
Strea
m
Data
Provide
Process
Condition
s
7
Run &
View
Results
22
PRO/II Training
Defining the
Components
PRO/II Training
Defining the Components
Component Types
Library component
Petroleum component
User-defined component
Solid component
Polymer component
Ionic component
24
PRO/II Training
Component Selection
25
PRO/II Training
PRO/II Component Library

Composite of several databanks
Databank search order
PROCESS (default)
SIMSCI (default)
DIPPR or OLI available as an optional PRO/II add-on
Component selection by list or access name

Pure component data
Fixed properties
Temperature-dependent properties
26
PRO/II Training
Adding Library Components
27
PRO/II Training
Component Data Printout

Component name
Phase type
Component type
Nine fixed properties
PROJECT TRAINING
PRO/II INPUT
PROBLEM COMPONENTS
COMPONENT DATA
============================================================================
NO.
--1
2
3
4
COMPONENT NAME
-------------N2
C1
C2
C3
COMP. TYPE
PHASE
MOL. WEIGHT
SPGR
----------- ----------- ----------- ---------LIBRARY
VAP/LIQ
28.013
0.80811
LIBRARY
VAP/LIQ
16.043
0.30000
LIBRARY
VAP/LIQ
30.070
0.35640
LIBRARY
VAP/LIQ
44.097
0.50770
NO. COMPONENT NAME
NBP
CRIT. TEMP. CRIT. PRES. CRIT. VOLM.
F
F
PSIG
GAL/LB-MOL
----------- ----------- ----------- -----------320.440
-232.420
477.619
10.7963
-258.682
-116.680
652.499
11.8628
-127.534
90.140
693.648
17.7343
-43.726
206.006
601.652
24.3247
--1
2
3
4
-------------N2
C1
C2
C3
NO. COMPONENT NAME

--1
2
3
4
-------------N2
C1
C2
C3
ACEN. FACT. HEAT FORM.

G FORM.
BTU/LB-MOL BTU/LB-MOL
----------- ----------- ----------0.04500
0.00
0.00
0.01040
-32066.21
-21726.14
0.09860
-36120.21
-13810.45
0.15290
-44650.04
-10139.64
28
PRO/II Training
Using DATAPREP
Menu-driven DOS interface
Total access to PRO/II component database
Additional information:
Fixed properties
Data source
Data accuracy
Plots and tables
29
PRO/II Training
Enthalpy Curve for Water from

DATAPREP
(10E+ 2)
320
Ideal Gas
Curve
ENTHALPY BTU/lbmol
240
Sat urat ed
Vapor Curve
160
Heat of Vaporizat ion
at NBP
80
Solid Curve
Heat of Fusion
at NMP
Crit ical Point
-80
-500
Sat urat ed Liquid Curve
-250
250
500
750
Temperat ure F
30
PRO/II Training
Petroleum Components
Normal Boiling Point
Gravity
Molecular Weight
At least two of three required
31
PRO/II Training
User-defined Components
Component Name
Component Properties
32
PRO/II Training
Component Properties
Fixed properties
Temperature-dependent properties
User Defined and Refinery Inspection properties
Solid properties
Polymer properties
Structure data
33
PRO/II Training
Component Property Window
34
PRO/II Training
Selecting the
Thermodynamics
PRO/II Training
Selecting the Thermodynamics
Example: Propane-Propylene Splitter

Choice of Thermo strongly effects results!
Thermodynamic Condenser Reflux/Feed

System
Duty
Ratio
Peng-Robinson
-59.6
13.1
Grayson-Streed
-37.3
8.2
36
PRO/II Training
Thermodynamic Data
Required for all flowsheets
Thermodynamic Property Methods
Transport Property Methods
Required for certain units:

y Column
y Dissolver
y Rigorous heat exchanger
y Depressuring unit
y Pipe
y Output tables
37
PRO/II Training
Thermodynamic Properties
K-Values
(Mass Balances)
Enthalpies
(Heat Balances)
Entropies
Densities
38
PRO/II Training
K-Value Calculation Methods

Ideal
Equation of State
Liquid Activity
Generalized Correlations
Special Packages
Electrolytes
Polymers
39
PRO/II Training
Selecting the Thermodynamic Method
40
PRO/II Training
Enabling VLLE Calculations
Default
41
PRO/II Training
Modifications
Very important to choose the correct
thermodynamic method
Even more important to insure that binary
interaction parameters are available
42
PRO/II Training
Modifications (Cont.)
Advanced Equations of State
Model hydrocarbon behavior

Advanced Alpha forms
Advanced mixing rules
Databank of regressed binary interaction
coefficient
43
PRO/II Training
Liquid Activity Coefficient methods
Model non-ideal behavior

Databank of regressed binaries
Databank of azeotropes
Fill options for binaries
44
PRO/II Training
Generalized Correlation
Typically designed for a specific application

Do a good job for heavier hydrocarbons
45
PRO/II Training
Enthalpy, Entropy and Density
Library correlation for enthalpy

No Library correlation for entropy
Library correlation for density
Rackett parameters in Library
46
PRO/II Training
Transport Properties
Viscosities
Thermal conductivities
Surface tension
Liquid diffusivity
4 methods: Pure, Petroleum, Trapp, User-defined
47
PRO/II Training
Calculation with Two Liquid Phases

Water decant option
Rigorous VLLE
calculations
L = HC + W
L1 = HC + W
W = pure water
L2 = W + HC
48
PRO/II Training
Water Decant Option

Vapor
VLE K-values
Liquid
Water Vapor
Pressure
Pure
Water Solubility Water
49
PRO/II Training
Rigorous VLLE Calculations

Vapor
VLE K-values
Liquid 1
VLE K-values
LLE K-values
Liquid 2
Must enable two-liquid phase calculations.

50
PRO/II Training
Hydrocarbon Systems
Refining Processes:
Grayson-Streed: Hydrogen rich systems, Crude tower,

Vacuum unit, Coker fractionator, FCC main fractionator
SRK and PR: Light ends columns, Splitters, Gas

recovery plants, Hydrogen rich systems (SRKM)
SOUR, GPSWATER: Sour water systems

SRKK, SRKM, SRKS, IGS: Use if H/C solubility in
liquid water (VLLE) is important.
51
PRO/II Training
Hydrocarbon Systems
Gas Processing:
SRK and PR: All types of processing plants, cryogenic

systems
SRKM, PRM, and SRKS: Systems with water,

methanol, and other polar components
GLYCOL: Dehydration with TEG. Improved for

aromatic emissions. Based on SRKM.
AMINE: Natural gas sweetening.

SRKK, IGS, SRKM, SRKS: Use if light gas solubility in
water (VLLE) is important.
52
PRO/II Training
Online Thermodynamic Help

Reference Manual
Detailed technical reference
Application Guidelines
When to use each method
53
PRO/II Training
Chemical Systems: Activity coefficient

methods
Non-ideal components
Low to medium pressures

Rely on binary interaction parameters (if missing
will be close to Ideal!)
Missing parameters estimated from structures,
azeotrope composition, mutual solubilities etc.
Used with Henrys Law for non-condensibles
VLLE with some methods
54
PRO/II Training
Chemical Systems: Activity coefficient

methods
NRTL
UNIQUAC
WILSON
UNIFAC
Two
Liquids?
Binary parameters
in databank?
Yes
Yes
Yes
Yes
No
No
Yes
Estimates non-ideality
from structure
Other methods - see Reference Manual

55
PRO/II Training
Chemical Systems: Equations of State

SRK-SIMSCI, SRKM, and PRM for polar mixtures
SRK-Hexamer for mixtures involving HF
Can model high-pressures
Also rely on binary interaction parameters
Some binary parameters in databanks for above
methods
56
PRO/II Training
Multicomponent
Distillation
57
Multicomponent Distillation
PRO/II Training
Tray Model
_
Vj yj
_
Lj , Vj Liquid, vapor flowrate

_
Lj-1 xj-1
VDj
Fj
Feed flowrate
Qj
Heater/cooler duty
_ _
Fj X F
xj , yj Liquid, vapor mole frac
Tj Pj
XF
Qj
Feed mole fractions
hj , Hj Liquid, vapor enthalpies

LDj
_
Vj+1 yj+1
Lj xj
Subscript denotes
tray number
Tj , Pj Temperature, pressure
LDj
Liquid Draw rate
VDj
Vapor Draw rate
Overbar denotes
_
component
vectors: e.g., x = (x1, x2,
...xNC)
58
PRO/II Training
Tray Numbering
Normally use Theoretical Trays (Stages)
Numbered from top down
Condenser is Stage 1
Even for subcooled condenser
Reboiler is last stage
Thermosiphon adds 2 stages
Convert packing to stages
Rule of Thumb: 2 to 3 feet of packing per stage
59
PRO/II Training
Tray Efficiency
Murphree Efficiency = 75%
z
yA
100%
efficient:
step to
equilibrium
curve
xA
75% efficient:
step 3/4 to
equilibrium curve
xA
60
PRO/II Training
Other Tray Efficiency Models

Vaporization
yi = ciKixi
Equilibrium
Ks adjusted towards 1.0
Vapor leaving stage not at dew point

Can lead to Mixed Phase Condenser product
Better to use Overall Efficiencies
Theoretical / Actual trays to carry out separation

Use different values in different column zones
Tune from experimental data if possible
61
PRO/II Training
Overall Efficiencies
Efficiency increases as components decrease
Efficiency increases as reflux increases
Reflux
Results can be very sensitive to number of trays

High reflux: number of
stages strongly
affects results
Low reflux:
number of stages
is less important
Number of Stages
62
PRO/II Training
Typical Overall Tray Efficiencies

SERVICE
Simple Absorbers/Strippers
Reboiled Absorbers/Strippers
Deethanizers
Depropanizers
Debutanizers
Deisobutanizers (Refluxed)
Splitters
C2, C2C3, C3C4or C5
PERCENT
20-30
40-50
60-65
65-75
80-90
85-95
85-95
95-100
90-100
Notes:
1) Assume 65-75% for most columns with reboilers and condensers.
2) At low reflux, split insensitive to number of trays in the model.
3) Pumparounds usually modeled as 2 stages.
63
PRO/II Training
All Column Algorithms are Iterative

Want to solve f(x) = 0
Generate a sequence of estimates of solution:
x0, x1, x2, ... xN
Equations are satisfied when x stops changing:
| xN - xN-1 | < 0.00001
xN is regarded as the solution
64
PRO/II Training
Convergence of Newtons method ...

Good initial guess
leads to solution
f(X)
n +1
f
= x
x
n
n
f
x
(
)
xn
Solution
0
x0 x1
x2
x*
X
65
PRO/II Training
Convergence is not guaranteed!

f(x)
0
x*
X
66
PRO/II Training

f(x)
Periodic
0
x*
X
67
PRO/II Training

f(x)
Bad guess
converges...
But better
guess fails!
0
x*
X
68
PRO/II Training
Available Distillation Algorithms in

PRO/II
Inside Out (I/O)
Chemdist
Sure
Liquid-liquid
Enhanced I/O
69
PRO/II Training
Inside Out (I/O) Algorithm
Relatively ideal thermodynamics including hydrocarbon

with water decant
Incorporates sidestrippers into column -- No recycle!
Thermosiphon reboilers
Flash zone model
Very forgiving of bad initial estimates
Fast!
No VLLE
70
PRO/II Training
I/O
Column
Features
1
2
Heater/Cooler
2 phase
condenser +
water decant
Side Streams
Heat Source/Sink
Multiple Feeds
Side Columns
Pumparounds
N-1
Kettle and
Thermosiphon
N Reboilers
71
PRO/II Training
I/O Algorithm Uses Nested Loops

Inner Loop
Simple thermo model (Fast)

Approximate Matrix Inversion (Fast)
Converge enthalpy balance and performance specs
Outer Loop
Updates, checks thermo using rigorous model (Slow)

Checks Bubble Point Criteria
If thermo changing or not bubble point, goto Inner Loop
72
PRO/II Training
I/O Algorithm
Outer Loop
Prepare approximate thermo

models for K*(K) and H*L(HL),
and H*V(HV).
Approx. Thermo.
Model
Iteratively solve the column

equations using approximate thermo,
K*(T,P) and H*(T,P).
Inner Loop
x, T, L, V, Q
...
1) Calculate rigorous K(x,T,P),
H(x,T,P).
2) If K and H differ significantly
from
previous iterate, repeat from
Done, solution is: x, T, L, V,
beginning.
Q ...
Convergence
Check
73
PRO/II Training
Initial Estimate Generator (IEG)

Generates good initial estimates for all column variables
P1 P2
PN LN
Column
Specs
IEG
You supply column

specs and guesses
for a few variables...
x0 y0 T0
P V0 L0
Q0R Q0C
Solver
IEG calculates
initial estimates for
all column variables...
x* y* T*
P V* L*
Q*R Q*C
Solver (I/O, Chemdist)

converges on solution
74
PRO/II Training
Four Types of IEG

SIMPLE (default): Simple columns
Only choice for liquid-liquid extraction
CONVENTIONAL: Works well with most columns
Based on shortcut methods
Strongly dependent on your product rate estimates
REFINING: Complex refinery columns (e.g., Crude,
Vacuum, FCC main fractionator, Coker)
CHEMICAL: Nonideal thermodynamics (e.g., azeotropic
and extractive distillation). Can be slow.
75
PRO/II Training
Specifications and Variables

Specifications are constraints to be met by the column
Variables are calculated to meet specifications.
Column always balances equations and unknowns
To impose a specification, you must add a variable,
otherwise equations and unknowns dont balance.
Example: Impose two product specifications by
declaring reboiler & condenser duties as variables.
76
PRO/II Training
Column Status at Initialization

Fixed quantities remain at their current values unless you
declare them as variables.
If no specs/variables provided, default status used:
QUANTITY
Overhead and Bottoms Rates
Side Draw Rates
Duties
Feed Rates
Tray Temperatures
Tray Pressures
Vapor and Liquid Rates
Product Properties (e.g. Viscosity)
Tray Vapor or Liquid Properties
STATUS
Calculated
Fixed
Fixed
Fixed
Calculated
Fixed
Calculated
Calculated
Calculated
77
PRO/II Training
Improper Specifications
0% methane in crude column bottoms
Infinitely many solutions
300 lb-mole/hr propylene in overhead
No solutions if column feed only 250 mol/hr propylene
98% ethanol product
No solutions if Water-Ethanol Azeotrope present
78
PRO/II Training
What is alpha ()?

Length of correction:
Xn+1 = Xn + n n
0< || < 1
Decrease if full step increases error

1 = .7
Unknown 1
2 = 1
X1
X2
3
X3
Solution
Reject: full step

increases error
Unknown 2
79
PRO/II Training
You Can Help I/O by Using Damping

Damping reduces iteration step and suppresses
oscillation
Conventional columns:
DAMP = 1.0 (default)
Columns with steam:
DAMP = 0.6 - 0.8
Crude, Vacuum, FCC Main Fractionator
Less-ideal:
DAMP = 0.2 - 0.6
Increase number of allowed iterations

If oscillations persist, use Chemdist
80
PRO/II Training
Reboiler Models
Most reboilers can be simulated as:
Kettle
Thermosiphon with Baffles
Thermosiphon without Baffles
81
PRO/II Training
Kettle Reboilers
LN-1
Vapor in Equilibrium
with Bottoms
VN-1
VN
LN-2
N-1
Bottom Tray
VN
BTMS
BTMS
LN-1
N
Reboiler
82
PRO/II Training
Single Pass (Once Through)

Thermosiphon
Equivalent to a Kettle Reboiler because Bottoms

is in Equilibrium with VN
LN-1
LN-1
VN
VN
Bottom
Sump
BTMS
Bottom
Sump Reboiler
Sump
BTMS
Baffle
83
PRO/II Training
Circulating Thermosiphon Adds 2

Stages
Simulate as TS without Baffles
N-2
Bottom Tray
LN-2
VN-1
VN-1
RV
BTMS
RL
Combined
Sump
BTMS
N-1
Combined Sump
RL
RF
LN-2
RV
RF
N
Reboiler
84
PRO/II Training
Circulating Thermosiphon
Simulate as TS without baffle
N-2
Bottom Tray
LN-2
VN-1
RV
VN-1
RL
BTMS
Bottom
Sump
BTMS
Reboiler
Sump
N-1
Reboiler Sump
RL
RF
LN-2
RV
RF
N
Reboiler
85
PRO/II Training
Preferential Thermosiphon
Simulate as TS with baffle
LN-2
N-2
Bottom Tray
RV
VN-1
RL
VN-1
LO
Bottom
Sump Lo
Bottom
Sump Reboiler
Sump
RF
RV
N-1
Reboiler Sump
RF
BTMS R
L
BTMS
LN-2
N
Reboiler
86
PRO/II Training
Tips...
Start simple
Converge water decant thermo before trying VLLE

Converge side draws before trying sidestrippers
Test pumparound duties with side coolers
Remove coolers from pumparounds so all cooling is
taken at condenser. Then add duties to pumparound.
Recovery usually safer than composition specs

Spec reflux ratio and product rate
Spec reflux rate and component recovery
87
PRO/II Training
Tips...
If Water condenses in column:
Increase temperature estimates to keep water in vapor

Reduce steam flow:
y 0.1 lb/Gallon bottoms in main column
y 0.1--0.2 lb/Gallon sidestripper product
Pumparounds solve best when you:
Fix rate and duty, calculate return temperature
88
PRO/II Training
Tips...
Excess cooling cause
drying above PA return
Specify Tray
Liquid rate
Remedy: Specify liquid

flow above return tray and
calculate pumparound duty
Declare Duty
as a Variable
Eliminate loops whenever

possible
Break thermal recycles

with reference stream
Simulate furnace as
column tray heater
FZ
89
PRO/II Training
Tips...
Dont believe your answers until you:
Verify thermodynamic method with expert

Rerun with tighter column and loop tolerances
Rerun with more pseudocomponents
Rerun with different assay characterization method
Check sensitivity to estimated parameters, i.e.,
number of trays
y Example: Add a stage to column. If results change
drastically, then model is very sensitive to this parameter.
y Assess if this is physical reality or model defect.
90
PRO/II Training
Distillation Algorithm Selection

Inside/Out (I/O)
CHEMDIST
SURE
Unique
Features
Side and main columns

solved simultaneously
Reactive distillation
VLLE on any tray
Total pumparounds
VLWE on any tray
Water draw any tray
Strengths
Very fast
Insensitive to initial
estimates
Highly non-ideal
systems
Generality: complex
column and thermo
Thermo non-ideality
NO VLLE capability
(VLWE at condenser)
No pumparounds
Side columns solved
as recycles
Slow
Sensitive to initial
guesses
Non-ideal systems
Mechanically simple
columns
VLLE within column
Free water or water

draw on trays other
than condenser
Total pumparounds
or vapor bypass
Limitations
Hydrocarbons
Applicability EOS & slightly nonideal LACT thermo
Interlinked columns
91
PRO/II Training
Distillation Algorithm Selection

Liquid-Liquid
Unique
Features
Enhanced I/O
LLE on each stage
Total draws and water

decants off trays
Strengths
Perform liquid-liquid
extraction
Converges when zero

flowrates on trays
Limitations
Thermo must be a
liquid activity method
IEG does not work for

all cases
Liquid-liquid
extraction columns
Same as I/O
Applicability
92
PRO/II Training
Flowsheet
Optimization
93
PRO/II Training
Flowsheet Optimization
Optimization allows...
Automatic identification of the best design or
operating conditions from a collection of
alternatives
Frees you from evaluating all possible cases
94
PRO/II Training
Setting Up the Optimizer

Objective function
A result calculated in PRO/II (duty, product recovery,...)

Usually evaluated with a calculator unit operation
Minimize or maximize this value (i.e., maximize profit)
Include all relevant costs
Optimization variables
A fixed input parameter with defined MIN, MAX values
95
PRO/II Training
Setting Up the Optimizer

Process constraints (inequality)
Limits on flowsheet values which cannot be violated

Physical limitations on equipment
y Constrain compressor operation to prevent surging
y Constrain column tray flows to prevent flooding
Process specifications (equality)
Additional criteria imposed on optimum solution

y Total cooling water flowrate = 100
y Kerosene product rate = 10000
96
PRO/II Training
One Variable Optimization

Value of OVHD [$/lb-mole] is proportional to the
square of its mole fraction C1 and C2
What temperature maximizes profit from OVHD?
Objective: maximize
[ OVHD (YC1 + YC2)2 ]

OVHD
H2O; C1-C6
-60F
900 psia
T=?
30 psia
97
PRO/II Training
One Variable Optimization

1000
Objective
Function
Flowrate of C1
and C2 times
Purity of C1 and
C2
800
600
Optimal
Temperature
400
200
0
-150
-110
-50
10
70
110
Flash Temperature
Optimization Variable
98
PRO/II Training
Multivariable Optimization
What temperature and pressure maximize profit
from OVHD?
Objective: maximize
[ OVHD (YC1 + YC2)2 ]

OVHD
H2O; C1-C6
-60F
900 psia
T=?
P=?
99
PRO/II Training
Multivariable Optimization
Maximum
1400
1200
1000
800
600
400
35
200
25
Pressure
90
Tempera
ture
50
10
5
-30
-70
15
-110
-150
Objective
Function
100
PRO/II Training
Optimization with Constraints

Vary temperature and pressure to maximize
flowrate of C1 and C2 in OVHD
The OVHD purity must be at least 90%
OVHD
H2O; C1-C6
-60F
900 psia
YC1 + YC2 > 0.9
T=?
P=?
101
PRO/II Training
Optimization with Constraints

35
0
360
25
Constraint
650
Flash
Pressure
Optimization
Variable
860
15
1147
Optimum
(1411)
5
-150
-110
-70
-30
10
50
90
Flash Temperature
Optimization Variable
102
PRO/II Training
Analyzing your Results: Shadow

Prices
Indicates the potential benefit of relaxing a limit,
specification, or constraint
Positive:
Increasing the value increases the

objective function
Negative:
Increasing the value decreases the

objective function
Zero:
Constraints and/or limits on optimization

variables (MINI, MAXI) are not active
103
PRO/II Training
Reading the Optimizer Summary

Best results
Objective Function
Values of Variables
Optimizer history at each cycle
Values for objective function and variables

Derivatives (Objective Function/Variable)
Shadow Prices
Convergence plots in output report
104
PRO/II Training
Optimizer Output
** BEST OBJECTIVE FUNCTION = 1.41158E+03 AT CYCLE NUMBER 6
VARY
INDEX
----1
2
--------- VARIABLE ---------INITIAL VALUE

OPTIMUM VALUE
------------------------1.00000E+01
-4.12426E+01
3.00000E+01
5.00000E+00
- SHADOW PRICES ---CYCLE

1
---------- ----------VARY
1
0.0000E+00
VARY
2
0.0000E+00
CNSTR 1
-2.4824E+03
5
----------0.0000E+00
-3.1750E+01
-1.4458E+03
BEST - 6
----------0.0000E+00
-3.1430E+01
-1.4146E+03
7
----------0.0000E+00
-3.1428E+01
-1.4149E+03
8
----------0.0000E+00
-3.1116E+01
-1.4338E+03
---- VALUES ---CYCLE

1
---------- ----------VARY
1
1.0000E+01
VARY
2
3.0000E+01
CNSTR 1
9.2355E-01
REL ERR
0.00E+00
SUM SQ ERR
0.0000E+00
OBJECTIVE
9.5967E+02
5
-----------3.9238E+01
5.0000E+00
8.9303E-01
-7.74E-03
5.9977E-05
1.4210E+03
BEST - 6
-----------4.1243E+01
5.0000E+00
8.9935E-01
0.00E+00
0.0000E+00
1.4116E+03
7
-----------4.1439E+01
5.0000E+00
8.9995E-01
0.00E+00
0.0000E+00
1.4106E+03
8
-----------4.1454E+01
5.0000E+00
9.0000E-01
0.00E+00
0.0000E+00
1.4106E+03
105
PRO/II Training
Shadow Price Examples

1) Where should you send any extra steam?
Stm1
Process
Stm2
Profit
Stm3
2) Which heat exchanger should you clean first?

Gas
T=200F
Gas
T=10F
106
PRO/II Training
Solution Technique: Successive

Quadratic
Programming (SQP)
Initialization
Second order method
(with derivatives) to
determine search direction
Quadratic
Programming
Sub problem
First order method

(no derivatives) to check
progress towards the solution
Line Search
Convergence
107
PRO/II Training
Convergence
Converging loops requires more intervention
Derivative step sizes are very important
Tolerances of units in loops should be lowered
108
PRO/II Training
Convergence
Specifications and constraints are satisfied and
-7
Scaled error below tolerance (10 ) or

Variables stop changing (tol=0.1%) or
Objective function stops changing (tol=0.5%)
Objective Function
Warning: Optimum is
T=100, but any guess
between 50 and 150
satisfies objective test
1005
1000
Tn
995
50
T (C)
100
150
109
PRO/II Training
Convergence: Relative Tolerances

Example: want L = 0.99 F
Which specification should you use?
Form 1:
Form 2:
F
L
L/F = 0.99
V/F = 0.01
PRO/II converges this to a relative tolerance

Form 1:
Converges when: | (L/F - 0.99) / 0.99 | <

so L = 0.99F 0.99F
110
PRO/II Training
Convergence: Relative Tolerances

Form 2:
Converges when: | (V/F - 0.01) / 0.01 | <

But, V=F-L :
| (1-L/F - 0.01) / 0.01 | <
so L = 0.99F 0.01F
If =0.01 (the default) and F=1000
Form 1:
Form 2:
L=990 9.9
L=990 0.1
Form 2 is much more accurate!

To use Form 2, tighten relative tolerance
111
PRO/II Training
Convergence: Compounding of Errors
Example: specify each flash as Ln = 1/2 Ln-1

Exact solution: LN = (1/2)N L0
If each flash specification relative tolerance =
Then worst case LN relative error ~ N
Example: N=5, =1%, then L5 = L0/32 5%
L0
L1
L2
L3
LN-1
LN
112
PRO/II Training
Flowsheet Tolerances
Optimization requires flowsheets to be solved
more accurately than for simulation
Tighten tolerances (columns, recycle loops, controllers)

Choose appropriate finite difference steps
Tighter tolerances allow smaller finite difference
steps to be used which is more efficient
Inaccurate flowsheet information may cause

optimizer to fail or converge prematurely
113
PRO/II Training
Finite Difference Derivative

dF(xn)/dx = [F(xn +x) - F(xn)] / x
Largest slope
F(x)
Smallest slope
Error Bar
xn
xn+x
114
PRO/II Training

Smaller step size can worsen derivatives
F(x)
Calculated slope
can be negative!
xn
xn+x
115
PRO/II Training

Smaller error bars improve derivative calculations
F(x)
xn
xn+x
116
PRO/II Training
Recommendations
Solve base case separately - Check results
Tighten flowsheet tolerances for improved
accuracy
Carefully select bounds and constraints to ensure
physically well-defined flowsheet
Select appropriate convergence criteria
117
PRO/II Training
Questions
Getting Started

ECUST PROII Advanced Training

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PRO/II Training

Provider of software and services to the

plants and processes

(PRO/II, DATACON, OTS,

advisory and closed loop of

Simulation & Modeling

sample applications verticals

Application During Plant Lifecycle

Process Engineering Suite

Process Flowsheet Simulator for Design,

Heat Exchanger Network Simulator for Design,

Data Reconciliation Program for

Plant Piping and Utility Systems Flow Simulator

Flare Network and Regulatory Compliance

Enhances productivity in the plant life

Integration within PES

First Generation: 1974

Second Generation: 1979

PRO/II with Provision 4.x

Sixth Generation: 2003

Version 3.30 - Spring of 1993

Fifth Generation: 1997

PRO/II Simulation Program

Forth Generation: 1995

Process Simulation Program

Third Generation: 1988

SSI/100 Simulation Program

Over 40 new features

Seven Generation: 2004

Just released in August 2004

PES Solution Client Benefits

Reduced process engineering time & cost

higher product rates

A valuable tool for experienced process manager

Kinetic: (reactor geometry required)

GIBBS: (stoichiometry optional)

User-Added Program Features

additional function calls

Tag Data Features

any OLE compliant application

used for Zyqad or Icarus interface

Simulation in Seven Steps

Defining the Components

Defining the Components

Defining the Components

PRO/II Component Library

Component selection by list or access name

Defining the Components

Adding Library Components

Defining the Components

Component Data Printout

Nine fixed properties

NO. COMPONENT NAME

NO. COMPONENT NAME

ACEN. FACT. HEAT FORM.

Defining the Components

Defining the Components

Enthalpy Curve for Water from

Crit ical Point

Sat urat ed Liquid Curve

Defining the Components

Defining the Components

Defining the Components

Defining the Components