PRO/II Updates & Modeling Tips

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Agenda
Introduction
PRO/II Modeling Tips
PRO/II New Functionality
New Features
Liquid viscosity prediction improvements for heavy oils
SIM4ME Thermo 3.2 with PROPRED
OLI Mixed Solvent Electrolytes (MSE)
Architecture/Infrastructure Updates

SIM4ME Portal
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Introduction

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Invensys Overview
Global automation, controls and solutions company
$5 billion in sales with ~35,000 employees, listed on London Stock Exchange
SimSci part of Invensys Process Systems ($1.3 billion business)
SimSci record of 40 years in simulation for refining and chemicals industries
Crawley
Toronto
Irvine
Lake Forest

Montreal

Paris

Foxboro
Philadelphia

Milan

Houston

Baarn
Dsseldorf
Rome

Shanghai

Abu Dhabi

Mexico City

Tokyo
Seoul

Chennai
Hyderabad
Singapore

Sao Paulo
Buenos Aires

Sydney
Melbourne

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Who Is SimSci?
Provider of software and services to the Hydrocarbon,
Chemical and Power industries that allow for efficient

Steady state & dynamic

simulation
PRO/II, Hextran, Visual
Flow, Inplant Pipephase,
Dynsim, Tacite, Comos

Plant start-up, operation

and operator training
with modeling, dynamic
simulation and control
emulation

design

operate
increased
profitability

optimize

PRO/II, Datacon, ARPM,

OTS, Dynsim, Fsim

Advisory and closed loop

process optimization
ROMeo, ARPM, Connoisseur,
PRO/II, Netopt

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SimSci Solution Overview

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Introduction

SimSci Solution Suites

Products fall into one of five

Solution Suites
Suites

Process
Engineering
PRO/II
Hextran
Visual Flow Suite
Inplant
Datacon

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Oil and Gas

Production

Dynamic
Simulation

Pipephase
Netopt
Tacite

Dynsim
Fsim

Trisim
OTS

On-Line
Performance
ROMeo
Connoisseur
ARPM

iFEED

Comos

Process Engineering Suite (PES)

A consistent set of technically superior tools for process engineering
design and operations decision support. PES products interface with
other applications commonly used by process engineers - MS Office for
Process Engineers

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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 & Regulatory Compliance Simulator

On-Line Performance Suite (OPS)

On-line Performance Suite (OPS) delivers the latest generation of
Advanced Process Control (APC) and On-line Optimization applications
to help users obtain peak performance from their operating units.

ROMeo

A fully integrated, on-line plant modeling/optimization

and off-line operational analysis tool.

ARPM

A complete solution for monitoring the performance of

your equipment and processes by using real-time plant
data and rigorous simulation models to extract validated
process and equipment performance information.

Connoisseur A comprehensive suite of APC software that

simultaneously controls several process variables
via the plant's distributed control system.

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Dynamic Simulation Suite (DSS)

Dynamic Simulation Suite provides the full power of rigorous dynamic
simulation and high-fidelity control system emulation for plant engineers,
operators, and managers to use in optimizing plant design, operations,
and performance management.

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Dynsim

Uses first principles equipment models and thermodynamic data to

produce highly accurate, reliable results to all your dynamic simulation
problems. Same model for process design, control evaluation,
operator training, and operational analysis applications.

Fsim Plus

A comprehensive Foxboro I/A Series control system checkout and

simulation tool.

Trisim Plus

A comprehensive Triconex control system checkout and simulation

tool.

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Technical Support Services

Technical support
Phone: (800) SimSci1 (746-7241)
E-mail: [email protected]

Technical support requests

Over 90% solved by primary support
Development staff as secondary support

Training
Multiple public sessions annually
Private training

Manuals
START/PROGRAMS/SIMSCI/PROII 8.2/PROII 8.2 Documentation
On harddrive, e. g., C:\SIMSCI\PROII82\Manual
On the same CD-ROM as program

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PRO/II Modeling Tips

Productivity
General
Column Convergence

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Productivity: Reviewing Results

Custom Stream and Unit Property Table
Unit and Stream Data Review Window
Spreadsheet Tools for Excel reporting
Tooltip view of stream properties
Toggle stream ID to show properties
SIM4ME Report Module

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Productivity: Data Review Window

Option to View Results in Text or Tabular Format
Icons on the Toolbar
View Results in Text Form (View Results)
View Results in Tabular Form (Data Review Window)
Data Review Window is interactive
Change of units
Change listed properties

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Productivity: Spreadsheet Tools

Optimizer Report
Stream List
Rigorous HX
Compressor
Line Sizing
Heating Curves
Pumps
Flashes

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Productivity: Toggle Stream ID

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Productivity: Tooltip View

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Productivity: SIM4ME Report module

Customizable reports generated
in Excel

D101(Column Plot) : Rates

0

Tray

25

100

200

300

400

500

600
25

20

20

15

15

10

10

D101(Column Plot) : Temperature

25

20

0
800

200

400

600

Tray

15

Liquid Rate(KG-MOL/HR) / Vapor Rate(KG-MOL/HR)

10
Liquid Rate
Vapor Rate
5

0
0

100

200
Temperature(K)

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300

400

500
Temperature

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General Tips

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General: Copy/Paste
Copy/Paste of a Unit Operation
Support Copy/Paste of Assay Stream
Allow paste special of components of Assay Stream into
another stream for analysis
Copy/Paste Stream Data to and from Excel
Copy/Paste stream composition and assay data to or
from Excel

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General: Hotkeys
Hotkey - One Click
Access
Hydrate
Used to predict the formation
of Methane-Water Hydrates

Heat Curve
Allows for quick generation of
a Heating/Cooling curve for
the selected stream

Distillation Curve
Generation of Assay Curve for
the selected steam
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General: Containerized Zipped File

PRZ File Containerized
Custom tables stay with the flowsheet
Stream Property Table
Unit Operation Property Table
Back-up keyword file automatically contained in PRZ

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General: Reinitialization Tips

Input/Restore Input Data (Ctrl+R)
Update Initial Estimates on User Demand
Input/Update recycle estimates
Input/Update column estimates
Export Results to Keyword File
Flowsheet layout retention (SFD File) when export/import
Include the stream and column solutions by the click of a check box

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General: Export Results to Keyword File

Include the stream and

column solutions for
faster convergence

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Column Convergence Tips

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Column Convergence: Common Problems

Most convergence problems are due to the following reasons:
Improper or infeasible specifications
Unsuitable column algorithm
Initial estimates too far from solution
Free water on the trays
Non-ideal thermodynamics
Not enough iterations

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Column Convergence: Initial Estimate Generator

(IEG)

What do I have to provide ?

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...

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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

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Column Convergence: Four IEGs

SIMPLE: Simple columns, e. g., absorbers
Only choice for liquid-liquid extraction
CONVENTIONAL: Works well with most columns
Default for columns with 2 products
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)

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Column Convergence: User Guesses

Molar reflux ratio (default =3) or reflux rate

Product or draw rate estimates for all but one product

Estimate water draw rate at the condenser

Add-up all the steam input and water in the feed streams

Estimate condenser, top temperatures on the high side

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Column Convergence: What Is Alpha?

Length of correction:

Xn+1 = Xn + n n

0< || < 1

If = 1, PRO/II is proceeding to solution

PRO/II decreases if full step increases error

1 = .7
Unknown 1

2 = 1

X1
X2

3
Solution

X3

Reject: full step

increases error

Unknown 2
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Column Convergence: Use DAMPING

DAMPING reduces iteration step and suppresses
oscillation of +error, -error, etc.
Conventional Columns:

DAMP = 1.0 (default)

Columns with Steam:

DAMP = 0.6 - 0.8

Highly Non-ideal:

DAMP = 0.4 - 0.6

If Oscillation Persists, Use Chemdist

If you use DAMP, increase the number of I/O Iterations

from 15 to, say, 50

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Column Convergence: Initial Column Status

Fixed quantities remain at their current values unless you declare
them as variables.
If no specs/variables provided, default status used:
Q U A N T IT Y
O v e rh e a d a n d B o tto m s R a te s
S id e D ra w R a te s
D u tie s
F e e d R a te s
T ra y T e m p e ra tu re s
T ra y P re s s u re s
V a p o r a n d L iq u id R a te s
P ro d u c t P ro p e rtie s (e .g . V is c o s ity)
T ra y V a p o r o r L iq u id P ro p e rtie s

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STATUS
C a lc u la te d
F ix e d
F ix e d
F ix e d
C a lc u la te d
F ix e d
C a lc u la te d
C a lc u la te d
C a lc u la te d

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Column Convergence: Specifications

Recovery usually safer than composition specs
Moles propane in overhead / moles propane in feed

Spec reflux ratio and product rate

Spec reflux rate and component recovery
Crude columns
Good product draw rates
Overflash spec (% liquid flow from tray above feed / feed)
Reflux ratio spec

Condenser temp spec for partial condenser

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Column Convergence: Specifications

Set as Active by check
box next to specification
Allows the user to save
or quickly change column
specifications

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Column Convergence: I/O Supersaturation

** WARNING ** UNIT 5 - WATER SUPERSATURATION DETECTED on 13
trays. Column solution is likely to be erroneous. Rerun using the SURE
column with the FREEWATER (DECANT) option enabled.

If Water condenses in column:

Increase temperature estimates to keep water in vapor
Reduce steam flow:
0.1 lb/Gallon bottoms in main column
0.1--0.2 lb/Gallon sidestripper product

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Column Convergence: Condenser

Not much vapor is produced in crude column
Typically from Cracking

Condenser may not produce vapor product

Run simulation using Bubble Point Condenser or Fixed Temperature
Subcooled Condenser
If simulation fails and top tray temperature looks unreasonably low,
non-condensable vapors are present
Change to Mixed Condenser
Fix temperature and allow simulation to vary liquid product rate

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Column Convergence: Pumparounds

Pumparounds solve best when you:
Fix rate and duty, calculate return temperature.

Excess cooling cause drying above PA return

Remedy: Specify liquid flow above return tray and calculate
pumparound duty.

Specify Tray
Liquid rate
Declare Duty
as a Variable
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Column Convergence: Pumparounds

Pumparounds are a means of reducing the cooling duty
in the condenser
Also reduces column traffic by reducing reflux

All cooling duty can be taken up by the condenser for

preliminary run
Start simulation of complex column by adding in pumparounds with
fixed rates and zero duties.
Solution will report total required cooling duty as condenser duty
Later distribute cooling duty to pumparounds, based on plant data
(should be about 60% of total)

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Column Convergence: Restarting

PRO/II remembers product flowrates from previous
solutions, and uses those to restart the IEG
In general, this speeds up overall flowsheet convergence
Can also Input/Update column estimates
If the previous run did not converge, product flowrates may be very
bad, and throw off the IEG for subsequent runs
Uncheck the box labeled Use Previous Solution for Initial Estimate
in the Column Initial Estimates Data Entry Window
Click on ctrl-R (Input/Restore Input Data)

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PRO/II new functionality

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Column Enhancement
Normalize Product Rates & Scale Traffic Profiles
When the feed rate to a column does not match the total product
estimates
PRO/II will scale the initial estimates of the column traffic
Improves convergence speed and robustness

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Column Enhancement
Ability to view column results in mass units

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SIM4ME Thermo Data Manager (TDM) 3.2

PROPRED Available via the TDM
Generate pure component properties with PROPRED, write the
properties and correlations into a databank using TDM, and use those
properties in the databank in PRO/II
Pure component property estimation based on a multilevel groupcontribution method
Property estimation automatically performed based on molecular
structure drawn by the user

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SIM4ME Thermo
Additional pure component correlations
Latent Heat
Liquid Enthalpy

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SIM4ME Thermo

New Refinery Inspection Property (RIP) methods

Refractive Index at 20 oC by API 2B5.1

Flash Point by API 2B7.1

Pour Point by API 2B8.1

Aniline Point by API 2B9.1

Smoke Point by API 2B10.1

Freeze Point by API 2B11.1

Cloud Point by API 2B12.1

Cetane Index by API 2B13.1

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Heavy Oil Liquid Viscosity

Developed by Dr. Twu while at SimSci
Twu, C. H. Internally Consistent Correlation for Predicting Liquid
Viscosities of Petroleum Fractions Ind. Eng. Chem. Process Des.
Dev. 24, 1287-1293 (1985)

Recommended by Murray R. Gray

Upgrading Petroleum Residues and Heavy Oils by Murray R. Gray,
Marcel Dekker, New York (1994).

Uses Mehrotra mixing rules

Mehrotra, A.K., Eastick, R.R. and Svrcek, W.Y., Viscosity of Cold Lake
Bitumen and its Fractions, Can. J. Chem. Eng. 67: 1004-1009 (1989)

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Heavy Oil Liquid Viscosity

New liquid viscosity prediction for heavy oils based on
the boiling point of the lumped pseudocomponents

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OLI MSE
What is MSE?
The Mixed Solvent Electrolyte model is the most advanced,
predictive framework for electrolytes, aqueous as well as mixed
solvents produced by OLI Systems
Capable of reproducing speciation, chemical, and phase equilibria,
applicable to water-organic-salt systems and aqueous solutions
from dilute solutions to the fused salt limit
OLI Systems
Electrolyte simulation experts since 1971
www.olisystems.com

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OLI MSE
How is MSE different?
Used the Helgeson equation of state
Added a more complex activity model
Debye-Huckel long-range term
Ionic interaction middle-range term
UNIQUAC model interaction short-range term

Speciation based on solvated protons (e. g., H3O+)

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OLI MSE: H2SO4 SO3 H2O

1.0E+03
500C

1.0E+02

400C

300C

200C

1.0E+01

100C

1.0E+00

50C
25C

P, atm

1.0E-01

0C

1.0E-02
1.0E-03
1.0E-04
1.0E-05
1.0E-06
1.0E-07
1.0E-08
0.0

0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

1.0

x SO3

The model works well up to a reduced temperature=0.9

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Thermo Enhancement
GUI support for user-entered alpha coefficients

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Compiler Upgrade
Upgrade PRO/II compiler to Intel FORTRAN v10 and
Visual Studio .NET 2003
ALL PRO/II 8.2 UAS & PDTS application will REQUIRE the use of the
Intel Visual FORTRAN compiler v10 and the Visual Studio .NET 2003
development environment
Some of the UAS & PDTS applications built with the earlier Compaq
Visual FORTRAN compiler may require minor code modifications

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Vista Support
PRO/II 8.2 will support Vista Enterprise and Vista Business
operating systems
PRO/II 8.2 w/ not support FLEXLM 7.2
PRO/II 8.2 will support FLEXLM 9.5 & 9.2
FLEXLM 9.5 & 9.2 Clients are Vista compliant
FLEXLM 9.5 & 9.2 Servers are NOT Vista Compliant

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Microsoft Office 2007 Support

PRO/II 8.2 will support Microsoft Office 2007 using 2003
File Formats
PRO/II 8.3 will support Microsoft Office 2007 using 2007
and 2003 File Formats
Release scheduled for 2009

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.msi Install
The new .msi install of PRO/II 8.2 uses the Microsoft
Windows Installer which is an engine for the
installation, maintenance, and removal of software on
modern Microsoft Windows systems
Streamlines installation
Standardizes installation
Makes custom scripting of an installation easier

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SIM4ME Portal in PRO/II 8.2

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Configuring Excel from PRO/II

An easily configured Excel interface for an existing,
complete PRO/II simulation

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Utilizing Your Intellectual Property

Process models contain a large amount of intellectual
property that is only available to the simulation experts
Typically not available to operators, maintenance personnel,
and business management
Limits the return on investments of the process model

The SIM4ME Portal extends this intellectual property

to everyone who can utilize it

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Create Custom Interfaces

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Product Detail
Modes to launch SIM4ME Portal
From PRO/II toolbar/menu option
From Start menu

Creations options for an SIM4ME Portal

Create a new one
Use an existing workbook, and enable Portal within it

Modes of operation
Connected: PRO/II with PROVISION concurrently open with SIM4ME
Portal
Stand-alone: Only SIM4ME Portal open
Disconnected: Reverts back to be a simple workbook

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Software Requirements
PRO/II 8.2
Microsoft Office 2003, Professional, SP2 or later
Limitations
The SIM4ME Portal does not issue an error if the PRZ file is
incomplete
Data entered and saved from Portal will appear in an already open
PRZ file only on re-opening the same
PRO/II GUI and Portal are two independent options interacting with
PRO/II database, so user should use only one interface at a time to
update / modify user data
Can not change specification types, e. g., Duty to Temperature, only
the values
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Software Requirements
Limitations
A security license is required to run the SIM4ME Portal
Drag & drop one-by-one onto the spreadsheet
Vector attributes require two cells above the drop cell for the vector
heading and UOM
Only the PRO/II Output UOM slate is supported
Cant open a PRO/II file if stand-alone SIM4ME Portal is connected
to it already

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How to Create a Portal

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Drag and Drop

Drag and drop variables

From Flowsheet Explorer
to a cell.
The first value is stored in
the cell where you drop the link.

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Color Coding

Blue
input
field

Click
UOM to
Convert
values

Green is
read-only
output field

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Parameter Details

Right Click
description
And select
View
Parameters

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Refresh when PRZ File Changes

Click Refresh if
change PRZ file

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Available after
the Presentation
for Questions

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