Process Simulation with Polymers Plus Introduction

Process Simulation with

Polymers Plus®
Course Number ES280.121.03

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Process Simulation with Polymers Plus Introduction

Course Description
• Polymers Plus is a polymer process modeling system
fully integrated with Aspen Engineering Suite ®
• This course introduces the fundamental engineering
features of Polymers Plus including polymer
characterization through attributes, polymer physical
property models and databanks, polymerization kinetic
models, and others
• Participants will learn how to use the polymer physical
property models; how to fit property data; and how to
select appropriate models for various processes

©2004 AspenTech. All Rights Reserved.

Course Pre-requisites
• The Polymers Plus training course is designed for students with
some working knowledge of Aspen Plus
– We suggest that first-time simulation users attend “Process
Simulation with Aspen Plus”
– Users with some experience in process simulation should be able to
follow this course without much difficulty
– If you have had Aspen Plus training but have not used the software
recently, we recommend that you complete the Aspen Plus tutorial
entitled “Getting Started Building and Running a Flowsheet Model”.
Please obtain the necessary documentation and go through this self-
directed tutorial
• Familiarity with the basic concepts and terminologies of polymer
processing would be useful for you to get the maximum benefit from
this course, but is not required

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Process Simulation with Polymers Plus Introduction

Course Objective
• After completing this training course you will be able to model
polymerization processes using Polymers Plus. Through a
combination of classroom-style instructions and hands-on
workshops, you will learn to:
– Define a complete polymer process flowsheet model, including the
polymer characterization, the unit operations, and the physical
property models
– Specify various polymerization kinetic schemes, starting from
background theoretical information, to their implementation and use in
Polymers Plus
– Use reactor tuning parameters, as they apply to variables in a
polymer process, in order to achieve convergence
– Estimate polymer properties and also regress them from experimental
data
– Perform engineering studies and plant data fitting
– Apply models to test concepts for plant improvements

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Course Agenda – Day 1

1. Component Characterization
– Polymers Plus Component Types
– Polymer Component Attributes
– Molecular Weight Distributions

2. Polymers Plus Property Option Sets

3. Polymer Thermo/physical Property Models
– Workshop – estimating and regressing property data

4. Polymer Phase Equilibrium

– Activity coefficient models
– Polymer Equations of State
– Workshop – fitting VLE data

5. User Prop-Set Properties

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Process Simulation with Polymers Plus Introduction

Course Agenda – Day 2 and 3

6. Polymerization Reaction Kinetics
– Overview of Reaction Types
– Theory of Instantaneous Properties (MWD)
– Free-Radical kinetics
Day 2
– Ziegler-Natta kinetics
– Step-Growth kinetics
– Segment-Based Power-Law kinetics Day 3
– Emulsion kinetics [optional module]
– Ionic kinetics [optional module]
7. Reactor Modeling

8. Reactor and Flowsheet Convergence

9. Using Data Fit to Regress Data

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Introduction
• The use of flowsheet simulation is well established in
many sectors of the chemical industry. The applications
of process modeling in these sectors include research
and development, process optimization, safety studies,
scale-up, etc.
• The simulation of polymer processes poses challenges
not addressed in simulation packages geared towards
the chemical industry. Polymers Plus was introduced to
fill this need and to bring the value of process modeling
to the polymer processing industry

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Process Simulation with Polymers Plus Introduction

History of Polymers Plus

• Since 1987, AspenTech has been working with customers to apply
process modeling technology to polymer processes

During that time, AspenTech staff members have:

– Developed many models for commercial polymerization processes
– Identified modeling issues that are unique to polymer simulation
– Recognized the need to develop generic polymer modeling tools

• In 1994, the first release of Polymers Plus was introduced as the

result of these efforts

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What is Polymers Plus?

• Polymers Plus is used together with Aspen Plus  and
Aspen Custom Modeler to simulate polymer processes.
It includes:
– Polymer characterization methodologies
– Polymer physical property and thermodynamic models
– Polymer property parameter databanks
– Polymerization kinetic models

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Process Simulation with Polymers Plus Introduction

Polymers Plus Position in AES

Technology Packages On-Site Training Consulting

Polymers Plus 

Aspen Custom Modeler Aspen Dynamics Aspen Plus 

Aspen OnLine  Aspen WebModels 

• Polymers Plus adds content to Aspen Plus, AD, and ACM

• Transparently integrated with Aspen OnLine and WebModels

through the core products
• Links have been developed into OTISS (operator training)

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Polymers Plus – Extends Process Simulation to

Polymer Processes
Process Simulation Molecular Structure
Phase Equilibria Steady-State Dynamic • Copolymer composition
• Flory -Huggins
• Aspen Plus • Aspen Dynamics • Branching
• UNIFAC and UNIFAC FV
• Aspen Online • Aspen Customer • MWD/PSD moments
• NRTL and EP-NRTL • MWD - addition polymers
Modeler
• Sanchez-Lacombe Properties
• OTISS
• Polymer SRK • Aspen Properties COMP1
• SAFT and PC -SAFT
Kinetics and Catalysis
VAP-A • Step growth
Databanks • Free radical
R1OUT
• Polymers • Ziegler-Natta/metallocene
• Segments Reactor SEP1 • Ionic
• Functional groups • Emulsion
GAS1
• Polymer modification

POWDER1

Physical Properties
• Tg, Tm Unit Operations
• C p, H, G, S Process Models • Aspen Plus
• ρ • HDPE, LLDPE, LDPE • AD/ACM
• η, κ • PP • OTISS
• PS, PVC
©2004 AspenTech. All Rights Reserved. • PET, nylon, PC

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