Aspen Plus - Module I

Aspen Plus for Process Design and Simulation Resource Persons Prof. Dr. Prof Dr Shahid Naveed Dr. –Ing. Naveed Ramzan Associate Professor

Mr. Farhan Ahmad Lecturer

Ms Sana Yousaf Course Organizing Officer Ms. Sana Yusuf

Course Agenda • Role of Simulation in Process Design • AspenTech Products and Aspen Plus Features • Aspen Plus graphical User Interface •

Aspen Plus Basics

• Physical Properties Model and Properties Estimation • HEATX and Heat Exchanger Modelling • RADFRAC and Distillation Column Modelling • Unit Operation Models • Sensitivity Analysis • Final Workshop Aspen Plus for Process Design and Simulation

Course Agenda (Day – 1) • Role of Simulation in Process Design • AspenTech Products and Aspen Plus Features • Aspen Plus graphical User Interface •

Aspen Plus Basics

• Physical Properties Model and Properties Estimation • HEATX and Heat Exchanger Modelling • RADFRAC and Distillation Column Modelling • Unit Operation Models • Sensitivity Analysis • Final Workshop Aspen Plus for Process Design and Simulation

3

Course Agenda (Day – 2) • Role of Simulation in Process Design • AspenTech Products and Aspen Plus Features • Aspen Plus graphical User Interface •

Aspen Plus Basics

• Physical Properties Model and Properties Estimation • HEATX and Heat Exchanger Modelling • RADFRAC and Distillation Column Modelling • Unit Operation Models • Sensitivity Analysis • Final Workshop Aspen Plus for Process Design and Simulation

4

Course Agenda (Day – 3) • Role of Simulation in Process Design • AspenTech Products and Aspen Plus Features • Aspen Plus graphical User Interface •

Aspen Plus Basics

• Physical Properties Model and Properties Estimation • HEATX and Heat Exchanger Modelling • RADFRAC and Distillation Column Modelling • Unit Operation Models • Sensitivity Analysis • Final Workshop Aspen Plus for Process Design and Simulation

5

Role of Simulation in Process Design Resource Persons Prof. Dr. Shahid Naveed

Aspen Plus for Process Design and Simulation

6

Simulation

Aspen Plus for Process Design and Simulation

7

Modelling and Simulation 1: What is Modeling Description of any complete system in mathematical terms is called a mathematical model 2: What is Simulation Solving the modeling equations numerically or analytically

Aspen Plus for Process Design and Simulation

either

8

Simulation and Modelling Problem in Process Engineering Nano

Molecular Processes, Active sites

Micro

Bubbles, Drops, Particles Particles, Eddies

Meso

Reactors, Columns, Exchangers, Pumps Pumps, Compressors, ...

Macro

Production Plants, Petrochemical Complexes

Mega

Environment, Atmosphere Oceans Soils

Lit.: Charpentier, J.-C.; Trambouze, P.: Process Engineering and problems encountered by chemical and related Industries in the near future future. Revolution or cointinuity? Chemical Enginering and Processing 37(1998) 559-565 9

10

Why Process Simulation The development of new industrial processes requires the solution of several unknown or expensive problems resulting from the scaling up, such as the impurities behaviour in a continuous run, the optimum equipment design, the better fluid distribution, the pressure losses in different equipments, the operators training, etc. These problems shall be resolved with the high reliability and less costs as possible before the industrial plant installation. To solve these problems it is necessary to run the process either in pilot plants or to construct prototypes, but this way is too expensive and normally very slow. Computer simulation applications can be used as a complementary development tool that in many cases lead to accurate solutions in shorter time and with much less consumption of resources. resources These computational tools are not used aiming to substitute traditional ones, but have demonstrated that can be a helpful complement in technological development and design engineering. engineering 11

Process Simulation Tools Simulations tools can help to resolve several of these problems, with low cost, high reliability and normally in less time. Otherwise these tools can help to the process engineer to understand what happen, and what are the problematic points in the whole process, process or in a particular equipment. equipment These tools can be classified in three groups depending on the problem that are going to be resolved: Æ Process Simulation tools. ÆA computational fluid dynamics (CFD) tools. ÆOther particular simulation software. software 12

Process Simulation Tools Objectives of Process Simulation Tools: ‰Optimizing Opt g tthe e des design g and a d pe performance o a ce o of p product oduct assets ‰ Increasing throughput and yield yield, improving quality quality, and reducing energy costs ‰ Responding more quickly to unexpected events or changes g in customer demand ‰ Managing the profitability of operations in real real-time. time 13

Types of Process Simulation Tools In process engineering two types of simulations tools are used: ÆSteady-State Simulators: Or Static simulators. Typically yp y used in p process design, g , theyy simulate the process at steady state conditions, usually at the design operating conditions. In this kind of tools Time is not a variable. variable ÆDynamic models: consider time as a variable and simulate the process over a period of time. time A dynamic simulation can be used to estimate or illustrate the response, over time, to a change in the process. 14

Steady State Process Simulation Tools The steady state simulation tool produce a static simulation, yp y used in p process design, g , to simulate the which typically process at steady state conditions, usually at the design operating conditions. This simulator don’t use Time as variable. variable

These simulation Th i l ti t l allow tools ll th engineer the i t do to d easily il and d strictly mass balance and energy balance for a high variety of chemical and p petrochemical p processes. Equipment q p and instrument design, plant design, capital costs, and technical evaluations are all dependent on such calculations.

15

Steady State Process Simulation Tools All of this tools contains: • A Physical and chemical properties Data Base for several elements and compounds, compounds and different methods to calculate the properties of mix. • A Drawing tool, which can help to produce the Process Flow Di Diagrams (PFD) (PFD). • A Pre-modelled unit operation; like abortion columns, heaters, reactors, etc. There are several different software for the steady state process simulation as: - VMG Sim

- Aspen plus

- Metsim

- Chemcad

- Others 16

Dynamic Process Simulation Tools Dynamic simulation tools consider time as a variable and simulate the process over a period of time. A dynamic simulation can be used to estimate or illustrate the response, over time, to a change in the process. This technology is commonly used for design and revamp studies, operator training, testing of DCS configurations and the development of operating procedures. procedures Several of the steady state software tools have an especial module to produce the dynamic simulation of the process. For example Aspen Dynamics

17

Computational Fluid Dynamic (CFD) Tools Computational Fluid Dynamic (CFD) simulation software has been used for more than twenty years in the aerospace and automobile industries, industries but it is recently being applied to new industry fields where heat transfer and fluids distribution problems are present. CFD is based on finite elements calculations. The simulation software divides the 3D surface in discrete cells creating a mesh. The software creates and calculates the Navier– Stokes equations for every cell within the mesh starting from defined boundary conditions. conditions It is possible to define calculation objectives, for instance pressure, temperature, and flow velocity, at selected sites of the simulated volume. 18

Computational Fluid Dynamic (CFD) Tools The following analyses can be performed: •2D and 3D analysis of Newtonian fluids •External and internal flows •Steady-state and transient-state flows •Compressible C ibl and d non-compressible ibl flflows •Laminar, turbulent and transitional flow regimes •Flows with vortex There are several different CFD •Multicomponent flows •Heat transference effects software as: •Gravitational effects effects. - Fluent - Floworks - Flow Science 19

Required Competency

20

Impact on Chemical Process Industry

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Design and Analysis through process simulation

Main steps of process simulation

Steady state simulation- Solve algebraic equations

Problem definition What information do we need?

Problem definition

What do we need to define?

AspenTech Products & Aspen Plus Graphical User Interface

27

Lesson Objectives Aspen Tech Company Information Simulation Targets Li t off AspenTech List A T h Products P d t

AspenTech Company Information • •

• • • • • •

Advanced System for Process Engineering (ASPEN) Project conducted at the Massachusetts Institute of Technology (MIT) in Cambridge Massachusetts Massachusetts, from 1976 to 1981 Over 2000 Employees world wide HQ in Cambridge, MA (Boston) Offices in 35 Countries Public held since 1994, NASDAQ www.aspentech.com http://support aspentech com http://support.aspentech.com

Process Simulation Targets Process Simulation Debottlenecking Steady State Simulation

Optimization,design etc.

R Revamping i

H t integration Heat i t ti etc. t

Operation

Sensitivity, maintenance

Process Control

Real time optimization

Dynamic Simulation Start up, Shut down, safety Operation

Disturbance Simulation

Operational failures

Operator Training

Safety examinations, design

Products •

Process Engineering » Process simulation Chemicals (10 products : AspenPlus) » Process simulation Oil&Gas ((8 products p : AspenHYSYS) p ) » Process simulation Refining (11 products : Aspenadsim+) » Process simulation Batch/Pharma (8 products :Aspenproperties) » Model Deployment (3 products : AspenModelrunner) » Equipment modeling (8 products :AspenAcol+) » Basic Engineering (2 products :AspenKbase) » Economic Evaluation (3 products : Aspn Icarus Project Manager)

•

Advance Process Control (14 products : Aspen Apollo, Aspen IQ)

•

Planning & Scheduling (10 products : Aspen Advisor Advisor, Aspen MBO)

•

Supply & Distribution (3 products : Aspen Retail)

•

Production Management & Execution (16 products : Aspen 0server)

Products • Aspen Plus Aspen Plus is the most popular product (accounted 48% of sales in 1995) a steady state modeling system built around the core technology • Properties PLUS It is a database of chemicals properties underlying its other products, products popular with customers ~ developed in inhouse modeling software • Oth Other modules d l » offers to the customers ~ license separately » use with its other products to model subsystems used i hi in highly hl specialized i li d chemicals h i l processing i application. li i

Flowsheet Simulation

Flowsheet Simulation

General Simulation Problem

Approaches to Flowsheet Simulation

Good Flowsheeting Practice

Why Aspen Plus?

Starting with Aspen Plus

39

The User Interface

FlowSheet Definition

FlowSheet Definition

Automatic Naming of Streams and Blocks

Graphic Flowsheet Operations--Blocks

Graphic Flowsheet Operations-- Streams

Using the Mouse Button

Modifying Blocks and Streams

Exercise-I

48

FlowSheet Definition

Basic Input to Run Aspen Plus Simulation

50

Aspen Plus User Interface

Data Browser

Data Browser

Functionality of Forms

Help

Basic Input

Status Indicators

Example

Setup

Setup Specification Form

Setup Run Types

Setup Units

Components

Component Specification Form

Entering Components

Find

Pure Component DataBanks

Pure Component DataBanks

Properties

Properties Specification Form

Streams

Streams Input Form

Blocks

Blocks

Starting the Run

Control Panel

Reviewing Results

Exercise-II

July 06, 2010

78

Exercise-II

Property Packages & Property Estimation Resource Person FARHAN AHMAD

Contents • Introduction • Properties of Unit Operations • Property Packages » Ideal model » Equation-of-state model » Activity A i i model d l » Special models

• Selection of Property Package • Recommended Property Packages

Simulation Algorithm

Types of properties

Th There are th three ttypes off properties: ti » Thermodynamic properties » Transport properties » Kinetic properties

Why are physical properties important ?

• A key requirement of process design is the need to accurately reproduce the various physical properties that describes chemical species. • Accurate representation of physical properties is essential key to meaningful simulation result. •

Aspen Plus also allow you to predict properties of mixtures ranging from well defined light hydrocarbon systems to complex omple oil mixtures mi t es and highly highl non-ideal non ideal (non-electrolyte) (non ele t ol te) chemical systems.

Properties of Unit Operations

Can we believe simulation results?

Reasons: • Improperly selected thermodynamic models. • Inadequate model parameters. • Incorrect hypothetical components generation. generation • Problems with plant data consistency.

Property Package • Property package is a collection of models that simulation tool (Aspen Plus) uses to compute thermodynamic, thermodynamic transport and other properties. • P Property t packages k are defined d fi d by b calculation l l ti paths th (routes) ( t ) and physical property equations (models), which determine how properties are calculated. • Aspen Plus includes a large number of built-in property packages that are sufficient for most applications. » Modification of existing package » Develop a new package

Available Property Packages

• Property methods ca be categorized into 4 groups: » » » »

Ideal Equation-of-state Activity coefficient Special

Ideal Property Method Ideal Property method uses the following calculation methods and models:

• Most basic property methods based on ideal behavior of system. • Mixture properties are based on mole fraction averages of pure components properties. properties

Equation-of-state Property Packages EOS property method uses the following calculation methods and models: • It accounts the Departure from ideality. • In EOS property methods, vapor and liquid properties are all calculated by the same model. d l • Extrapolates reasonably well with temperature and pressure. ab ty to accu accurately ate y predict p ed ct • Inability highly non-ideal liquid mixtures.

Activity coefficient Property Methods Activity coefficient property methods use the following calculation methods and models for pure component properties: • Vapor and liquid properties are calculated l l d by b different diff models. • Ability to represent highly non-ideal liquid mixtures. • Inconsistent in the critical region.

Activity coefficient Property packages

Special Property packages • Additional property packages use special correlations and are available for special applications:

Selection of p y Packages g Property

How to choose the best

property prediction

method for simulation ?

Importance of Selecting the Appropriate property p p yp package g

•

•

•

•

Correct predictions of the physical properties of the mixture as a function of temperature and pressure. Each method is suitable only for particular types of components and limited to certain operating conditions. Choosing the wrong simulation results.

method

may

lead

to

incorrect

Particularly l l important for f reliable l bl computations associated d with separation operations (distillation, LL extraction, etc.).

Example: 2-propanol water

Principle Steps in Selecting the Appropriate Property p y Package g 1.

Choosing g the most suitable model.

2.

Comparing the obtained predictions with data from the literature.

3.

Adding estimates for components that not available in the chosen package.

4.

Generation of lab data if necessary to check the property model.

Criteria of choosing suitable property package • The choice of which the property package to use should be based on » Composition » Temperature and pressure » Availability of parameters

Issues in Selection of the Appropriate property p p y Package g

• Nature of mixture (e.g., hydrocarbon, polar, electrolyte, etc.) • Pressure and temperature range • Availability of data

Sources of Information

•

Publications and professional literature that deal with the process in question or with the components in the process.

•

Simulator reference manual (HELP).

•

Databanks

•

Rules of thumb.

Property Package Decision Flowchart

Guidelines for choosing a property package

Guidelines for choosing a property package

Guidelines for choosing a property package

Recommendations for the Selection of the Appropriate Property Package

•

Eric Carlson, “Don’t gamble with physical properties for simulations,” Chem. Eng. Prog. October 1996, 35-46

•

Prof J.D. (Bob) Seader,

•

Hyprotech Recommendations

University of Utah

Recommended Property Packages

Recommended Property Packages

Recommended Property Packages

Recommended Property Packages

Recommended Property Packages

Hyprotech Recommendations

Example

• Find the best thermodynamic package for 1-Propanol , H2O mixture.

1-Propanol ,H2O mixture Figure 1 Polar

Polarity R?

Real or pseudocomponents

P?

Pressure

E?

Electrolytes

Non-electrolyte

E?

See Figure 2

Yes Figure 2 P < 10 bar

P? Polar Non-electrolytes

LL? Liquid/Liquid P?

Pressure

ij?

Interaction Parameters Available

LL? WILSON, NRTL, UNIQUAC and their variances

No

ij? j

No

LL? No

UNIFAC and its extensions

Figure 3

Yes

LG?

Yes No

HC?

PC?

See Figure 4

HC?

Hydrocarbons

LG?

Light gases

PC?

Organic Polar Compound

Figure 4

Yes

Available

PC with HC

NRTL, UNIQUAC

PPS?

BIP?

Not Available

BIP?

UNIFAC PPS?

Binary Interaction Parameters Possible Phase Splitting

1-Propanol, H2O TXY diagram for 1-Propanol, H2O

100

Perry NRTL PRSV UNIQUAC Van-Laar (Built-in Van-Laar(Perry)

98 96

92

o

T [ C]

94

90 88 86 84 82

0

01 0.1

02 0.2

03 0.3

04 0.4

0 0.5

06 0.6

1-Propanol mol. frac.

0 0.7

08 0.8

09 0.9

1

RADFRAC & Distillation Column Modeling Resource Person Dr. –Ing. Naveed Ramzan Associate Professor

118

Lesson Objectives

Multi-Stage Separation Models in Aspen Plus

RADFRAC

RADFRAC Flowsheet Connectivity

RADFRAC Configuration Options

RADFRAC Modeling Approach

Mathematical Model Behind RADFRAC

V2

Stage f-1

Qc Q

ViF

Vif+Vif

Stage k-1 vik

Stage 2

L1

F

D

Stage f

S

Stage p StageN

Overall Column Model Fi+Si-Di-Bi=0

F+S-D-B=0

VkHK Stage k

lik-1 Lk-1 hK1

Lif-1hf- 1

VfHf liF

vik+1

lik

Stage f

lif-1+liF

Vk=1HK+

Lk hK

vif+1

lif

Vf+1Hf+1

Ljhf

1

B

vif

lif-1

Simple Stage Model vik+1+lik-1-vik-llik=0 0

Vk+1+Lk-1-Vk-Lk=0

Feed Stage Model vif+1+llif-1+L LiF-v F if-llif=0 0

Vf+1+Lf-1+Ff –Vf – Lf =0

Mathematical Model Behind RADFRAC

The Equilibrium Equation

yik = Kik xik

OR

vik/ Vk = Kik lik/ Lk

Kik = Kik( Tk,,Pk, xik , yik )

The Summation Equation For Liquid Phase ∑ci xik –1 = 0 or ∑ci lik/ Lk –1 1=0 or ∑ci yik/ Kik –1 = 0

For Vapor Phase ∑ci yik –1 = 0 or ∑ci vik/ Vk –1 1=0 or ∑ci Xik Kik –1 = 0

Mathematical Model Behind RADFRAC

Overall Energy Balance for Column

For Condenser

FHF-DHD-BhB +SHS-QC=0 V2H2+L1h1-DH1-Q Qc = 0

For Simple Stage Vk+1Hk+1+Lk-1hk-1-Lkhk-VkHk=0

For Feed Stage FHF+Vf+1Hf+1+Lf-1hf-1-Lfhf-VfHf=0

Hk = Hk( Tk,Pk , yik ) hk = hk( Tk,Pk , xik )

Some RADFRAC Options

RADFRAC Demonstration

Basic Column Specifications

Basic Column Specifications

Optional Column Specifications

Operating Specification Selection Tips

Operating Specification Selection Tips

RADFRAC Setup Configuration sheet

RADFRAC Setup Configuration sheet

RADFRAC Setup Configuration sheet

RADFRAC Setup Streams sheet

RADFRAC Setup Streams sheet

RADFRAC Setup Streams sheet

RADFRAC Setup Pressure sheet

Plot wizard

Plot wizard

Plot wizard

Exercise

July 06, 2010

145

Exercise

Exercise

Column Performance Specifications

RADFRAC Design Specifications

RADFRAC Design Specifications

RADFRAC Design Specifications

RADFRAC Design Specifications

RADFRAC Design Specifications

RADFRAC Design Specifications

Example:

Design Specifications

Example:

Design Specifications

Exercise

July 06, 2010

157

Exercise

Exercise

Aspen Plus for Process Design and Simulation

Course Agenda • Role of Simulation in Process Design •

Aspen Tech Products and Aspen Plus Basics

• Physical Properties Model and Properties Estimation • HEATX and Heat Exchanger Modelling • RADFRAC and Distillation Column Modelling • Unit Operation Models • Sensitivity Analysis • Final i l Workshop k h

July 06, 2010

Aspen Plus for Process Design and Simulation

161

Course Agenda (Day –3) • Role of Simulation in Process Design • Aspen Tech Products and Aspen Plus Basics • Physical Properties Model and Properties Estimation • HEATX and Heat Exchanger Modelling • RADFRAC and Distillation Column Modelling • Unit Operation Models • Sensitivity Analysis • Final i l Workshop k h

July 06, 2010

Aspen Plus for Process Design and Simulation

162

Sensitivity Analysis using Aspen Plus Resource Person Dr. Naveed Ramzan

July 06, 2010

Aspen Plus for Process Design and Simulation

163

Cumene Production Process

Lesson Objectives

Sensitivity Analysis

Defining the Sensitivity Analysis

Defining the Sensitivity Analysis

Defining the Sensitivity Analysis

Uses of Sensitivity Analysis

Sensitivity Analysis Example

Sensitivity Analysis Example

Assessing Variables

Variable Definition

Variable Definition Example

Variable Definition Notes

Steps for Sensitivity Analysis

Steps for Sensitivity Analysis

Purity P it (mole fraction) of cumene in Product Stream

Steps for Sensitivity Analysis

Purity P it (mole fraction) of cumene in Product Stream

Steps for Sensitivity Analysis

COOL Outlet Temperature

Steps for Sensitivity Analysis

COOL Outlet Temperature

Steps for Sensitivity Analysis

Steps for Sensitivity Analysis

Viewing Results

Plotting

Notes

Exercise

July 06, 2010

187

Exercise

Thermodynamic Model

What would be the effect of flow rate of phenol on MCH distillate purity, Condenser duty, reboiler duty

Aspen Plus for Process Design and Simulation Final Workshop Resource Persons Prof. Dr. Shahid Naveed Dr. –Ing. Naveed Ramzan Mr. Farhan Ahmad Ms Sana Yosuf

Process Description

Flow Sheet Diagram

Sensitivity Analysis

Design Specification