reffiplantreffiplant.com/files/reffiplant_training_course.pdf · calculator blocks (fortran, excel)...

Valentina Colla and Ismael MatinoScuola Superiore Sant’ Anna - TeCIP Institute (Italy)

REFFIPLANT

TRAINING COURSE ON THE TOOLS FOR TOTAL SITE

ANALYSIS

Contents

Introduction

Methodological Approach

Modelling & Simulation Microsoft Excel

WATER-Int

reMIND

Aspen Plus

REFFIPLANT

Training course on the tools for total site analysis

Introduction

StringentEnvironmentalRegulations

CarefulResourcesManagement

• Process Integration solutions (e.g. water blow downs recovery, recycle of solid by-products fractions, etc.)

Environmentaland EconomicAdvantages• Decrease of waste

generation and disposal

• Reduction of freshwaterintake and emissions

• Increase in profits

SustainableSteel Production

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Contents

Introduction



WATER-Int

reMIND

Aspen Plus

REFFIPLANT


Methodological Approach (1)

Process Analysis

Identification of potential PI solution

and Technological Improvement

Literature Analysis

Modelling &

Simulation

Optimization & Economical

Analysis

Design and On-line

Application

Data Collection&

Analysis

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Methodological Approach (2)

ConventionalProcess

InvestigationTechniques

• Theoretical studies

• Pinch Analyses

• ExperimentalCampaign

ProcessSimulation

• Assessment of non-conventionalscenarios difficult to evaluate or test

DetailedAnalyses

• taking into account all the relevantaspects for assessing the viability of industrial process modification

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Modelling & simulation

Process simulations are possible by developing suitable process models.

Ad-hoc developed software

MS Excel®

Specialized

commercial

simulation

software

First level of

detail

Third level of detail

Second level of detail

First level of detail

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Contents

Introduction



WATER-Int

reMIND

Aspen Plus

REFFIPLANT


Modelling & SimulationMS Excel - First level of detail

Theoretical or empirical

based models

Simplified representation of

• Unit operations

• Resources user

• Treatments

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Modelling & SimulationMS Excel - First level of detail

Applications

• Stand-alone to predict main properties of output streams

• Stand-alone for preliminary investigations on the behavior of a

specific unit operation

• Grouped in libraries to be jointly exploited to simulate treatment

arrangements

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Contents

Introduction



WATER-Int

reMIND

Aspen Plus

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Modelling & SimulationAd-hoc developed software – Second Level of detail

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Contents

Introduction



WATER-Int

reMIND

Aspen Plus

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Modelling & SimulationWATER-Int - Applications

The Water-int software is based

on linear optimisation framework

and hence it does not consider

complex ionic interactions between

different contaminants.

Allows preliminary studies of

simulation and optimization of the

structure of an industrial water

network

Suggests possible network

modifications or arrangements

for economic and

environmental advantages

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In the next slides some guidelines to use Water-Int

Modelling & SimulationWATER-Int – User Interface

Network Design Environment Main Interface

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Modelling & SimulationWATER-Int – Translate a process in a Water-int model

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Modelling & SimulationWATER-Int – Modelling phase - Contaminant Data

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Modelling & SimulationWATER-Int - Modelling phase - Source Water Data

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Modelling & SimulationWATER-Int – Modelling phase - Process Data

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Modelling & SimulationWATER-Int – Modelling phase - Treatment Data

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Modelling & SimulationWATER-Int – Modelling phase - Treatment Data

Treatment type

Generic tab

Clarifier

Active sludge

Belt Filter

Sand Filter

Reverse Osmosys

Oil separator

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Modelling & SimulationWATER-Int – Modelling phase - Other Features

The editor is used to specify

piping information

(distance and cost law)

between any given units.

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Modelling & SimulationWATER-Int – Simulation & Optimization

The editor allows calculation

options and optimization objectives

to be set.

Analysis class:

• Reuse

• Regeneration Reuse

• Regeneration Recycle

Objective type:

• Minimum Source water Flowrate

• Minimum Treatment Flowrate

• Minimum Operating Cost

• Minimum Total Cost

Multiple objective:

Generation of a “Pareto front”

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Modelling & SimulationWATER-Int – Guidelines for Non-Linear Optimisation problems

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Contents

Introduction



WATER-Int

reMIND

Aspen Plus

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Modelling & SimulationreMIND

Exploits real or simulated data (by Excel-based models) in its

computations starting from a superstructure model

Equations are generated within the program and exported to an

optimization file in standard format (MPS)

Allows optimization of solid streams through Mixed-Integer Linear

Programming comparing all the considered configurations

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In the next slides some guidelines to use reMIND

Modelling & SimulationreMIND – User Interface

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Modelling & SimulationreMIND – Model Development

You develop a model through connections between:

• nodes process or ingoing resource

• branches flows

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Modelling & SimulationreMIND – Nodes

The definition of a node can be made by

Functions that can be add use “drag and drop”

The properties of a Function are in the

Properties tab of the node

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Modelling & SimulationreMIND – Functions

Boundary: defines a bound on ingoing or outgoing resource from a node on a specific time step, uses resources to

generate the bound.

BoundaryTOP: works in the same way as the Boundary function but is used to set a boundary on the sum of all time

steps.

Destination: defines the end of a node in the model and works as a sink for the ingoing resource(s).

Source: defines the resource and assigns this to the outgoing flows, usually in each starting node of the model. All

source functions are part of the defined objectives for the model.

Flow dependency: can be used to define the relation between two resources ingoing, outgoing or a transformation

from ingoing to outgoing.

Flow relation: can be used to define a distribution between different ingoing or outgoing flows of the same resource. By

using integers non-linear relations between flows of different resources can be depicted.

Investment cost: can be use to model an investment of equipment based on flows out or in to the model

Function editor: in this it is possible to define the model more flexible. The modelling includes the potential to define

float variables (Flt) and integer variables (Int). Thereby allowing for the possibility to generate most of the pre-defined

equation types.

Others: Flow, Storage, Batch and Logical equations.

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Modelling & SimulationreMIND – Branches

Each branch (flow) can be added using and it is assigned to a resource.

The resource can be material, economic or environmental related and refers to something

that is consumed.

Resources are used by some of the Functions to create the equations.

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Modelling & SimulationreMIND – Objective Function

The objective function is defined as:

M

m

tmntm

T

t

N

n

nn xckk1

,,,

11

21min

xm,t is the flow m for the time step t.

cm,t,n is the coefficient for flow m of objective type n in time step t.

k1n is a coefficient making it possible to normalize each objective function n,

k2n is a coefficient making it possible to weight the objectives.

The k1n and k2n coefficients also provide the possibility to exclude any objectives from the optimisation by setting them to zero.

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Modelling & SimulationreMIND – Other Features

Timesteps

The timesteps are used to make different parameters in a model

vary over time.

Each time step level divides the level above in a certain number of

parts

The highest level is the TOP level

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Modelling & SimulationreMIND – Exporting model in MPS file

The final step is to export the

developed model into a MPS file

format that can be read by most

optimization tool.

When selecting this option if no

information is missing, equations will

be generated for all flows, nodes and

functions in the model.

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Modelling & SimulationreMIND – Optimization

The MPS file can be opened by an optimization tool such as CPLEX,

lp_solve or gnuwin32.

Optimization study can be finalized.

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Contents

Introduction



WATER-Int

reMIND

Aspen Plus

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In the next slides some guidelines to use Aspen Plus Some of the figures referers to

Reffiplant simulated case studies

Modelling & SimulationSpecialized commercial simulation software - Third level of detail

Complex simulations of water

networks or solid streams

treatment processes

considering all the features

that in a real plant are

normally monitored

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Modelling & SimulationAspen Plus - Applications

Rigorous Electrolyte Simulation

Solids Handling

Petroleum Handling

Air Separation

Chemical Processes

Gas Processing

Metallurgy

Pharmaceutical

Polymers

Others

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Modelling & SimulationAspen Plus - Functions

Design specifications

Sensitivity analysis

Calculator blocks (Fortran, Excel)

Unit operation model

Data Regression

Data Fit

Optimization

User Routines

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Modelling & SimulationAspen Plus – User Interface

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Modelling & Simulation

Aspen Plus – Translate a process in an Aspen Plus model

1) Specify the chemical components in the process

(you can define them if not present in databanks)

2) Specify thermodynamic models to represent the

physical properties of the components and

mixtures in the process

3) Define the process flowsheet (unit operations,

streams to and from the unit operations, ..)

4) Specify the component flow rates and the

thermodynamic conditions (temperature, pressure,

etc.) of feed streams

5) Specify the operating conditions for the unit

operation models

Basic input

Setup

Components

Properties

Streams

Blocks

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Properties / Components / Specification / Selection / Find

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If you need to model solid and fluid streams you have to define the stream class




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If a chemical species is not present in the Aspen Plus

databank, you can specify it with its main properties

(e.g. molecular weight, critical parameters, heat of

formation, chemical structure, etc.)

If a complex mixture (e.g. oil) have to inserted you can

create it as a mixture of pseudocomponents starting

from mixture main parameters (e.g. Distillation curve)

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If a rigorous treatment of electrolytes is needed with the

Aspen Plus electrolyte capabilities, you can model:

• Sour water solutions.

• Aqueous amines for gas sweetening.

• Aqueous acids or bases.

• Salt solutions

Aspen Plus generates all possible ionic and salt species

and reactions:

<===> Denotes ionic equilibrium or salt precipitation.

---> Denotes complete dissociation.

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2) Specify thermodynamic models to represent the physical properties of the

components and mixtures in the process

Property method: to calculate properties such as K-

values, enthalpy and density.

The Base method list contains various property methods

built into Aspen Plus. The specific methods in the list

depend on the chosen Process type.

Note: Clicking the Modify property models you can

create a custom property method that starts out identical

to the chosen base method but may be modified

according to your needs.

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2) Specify thermodynamic models to represent the physical properties of the

components and mixtures in the process

How to choose the property method

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3) Define the process flowsheet

In the Main Flowsheet choose your equipments (blocks) from the Model Palette.

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Blocks: Unit Operation Model Types

Mixers/Splitters

Separators

Heat Exchangers

Columns

Reactors

Pressure Changers

Manipulators

Solids

User Models

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Blocks: Mixers/Splitters

Model Description Purpose Use

Mixer Stream mixer Combine multiplestreams into onestream

Mixing tees, stream mixingoperations, adding heatstreams, adding work streams

FSplit Stream splitter Split stream flows Stream splitters, bleed valves

SSplit Substream splitter Split substream flows Solid stream splitters, bleedvalves

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Blocks: Separators


Flash2 Two-outlet flash Determine thermal

and phase conditions

Flashes, evaporators, knockout

drums, single stage separators,

free water separations

Flash3 Three-outlet

flash

Determine thermal


Decanters, single stage separators

with two liquid phases

Decanter Liquid-liquid

decanter

Determine thermal


Decanters, single stage separators

with two liquid phases and no vapor

phase

Sep Multi-outlet

component

separator

Separate inlet stream

components into any

number of outlet

streams

Component separation operations

such as distillation and absorption,

when the details of the separation are

unknown or unimportant

Sep2 Two-outlet

component

separator

Separate inlet stream

components into two

outlet streams

Component separation operations

such as distillation and absorption,

when the details of the separation are

unknown or unimportant

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Blocks: Heat exchangers


Heater Heater or cooler Determines thermal and

phase conditions

Heaters, coolers, valves. Pumps and

compressors when work-related results are not

needed.

HeatX Two-stream heat

exchanger

Exchange heat between two

streams

Two-stream heat exchangers. Rating shell and

tube heat exchangers when geometry is known.

MHeatX Multistream heat

exchanger

Exchange heat between any

number of streams

Multiple hot and cold stream heat exchangers.

Two-stream heat exchangers. LNG

exchangers.

Hetran* Interface to B-JAC

Hetran program

Design and simulate shell and

tube heat exchangers

Shell and tube heat exchangers with a wide

variety of configurations.

Aerotran* Interface to B-JAC

Aerotran program

Design and simulate air-

cooled heat exchangers

Air-cooled heat exchangers with a wide variety

of configurations. Model economizers and the

convection section of fired heaters.

HXFlux Heat transfer

calculation model

Models convective heat

transfer between a heat sink

and a heat source.

Determines the log-mean temperature

difference, using either the rigorous or the

approximate method.

HTRIIST* Interface to the IST

heat exchanger

program from HTRI.

Design and simulate shell and

tube heat exchangers

Shell and tube heat exchangers with a wide

variety of configurations, including kettle

boilers.

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Blocks: Columns (short cut)


DSTWU Shortcut distillationdesign

Determine minimum RR,minimum stages, and eitheractual RR or actual stagesby Winn-Underwood-Gilliland method.

Columns with one feed andtwo product streams

Distl Shortcut distillationrating

Determine separationbased on RR, stages, andD:F ratio using Edmistermethod.

Columns with one feed andtwo product streams

SCFrac Shortcut distillationfor petroleumfractionation

Determine productcomposition and flow,stages per section, dutyusing fractionation indices.

Complex columns, such ascrude units and vacuumtowers

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Blocks: Columns (rigorous)


RadFrac Rigorousfractionation

Rigorous rating and design for singlecolumns

Distillation, absorbers, strippers,extractive and azeotropic distillation,reactive distillation

MultiFrac Rigorousfractionation forcomplex columns

Rigorous rating and design formultiple columns of any complexity

Heat integrated columns, air separators,absorber/stripper combinations, ethyleneprimary fractionator/quench towercombinations, petroleum refining

PetroFrac Petroleum refiningfractionation

Rigorous rating and design forpetroleum refining applications

Preflash tower, atmospheric crude unit,vacuum unit, catalytic cracker or cokerfractionator, vacuum lube fractionator,ethylene fractionator and quench towers

BatchFrac*+ Rigorous batchdistillation

Rigorous rating calculations forsingle batch columns

Ordinary azeotropic batch distillation, 3-phase, and reactive batch distillation

RateFrac* Rate-baseddistillation

Rigorous rating and design for singleand multiple columns. Based onnonequilibrium calculations

Distillation columns, absorbers, strippers,reactive systems, heat integrated units,petroleum applications

Extract Liquid-liquidextraction

Rigorous rating for liquid-liquidextraction columns

Liquid-liquid extraction

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Blocks: Reactors


RStoic Stoichiometricreactor

Stoichiometric reactor withspecified reaction extent orconversion

Reactors where the kinetics are unknown orunimportant but stoichiometry and extent areknown

RYield Yield reactor Reactor with specified yield Reactors where the stoichiometry and kineticsare unknown or unimportant but yielddistribution is known

REquil Equilibrium reactor Chemical and phaseequilibrium bystoichiometric calculations

Single- and two-phase chemical equilibriumand simultaneous phase equilibrium

RGibbs Equilibrium reactor Chemical and phaseequilibrium by Gibbsenergy minimization

Chemical and/or simultaneous phase andchemical equilibrium. Includes solid phaseequilibrium.

RCSTR Continuous stirredtank reactor

Continuous stirred tankreactor

One, two, or three-phase stirred tank reactorswith kinetics reactions in the vapor or liquid

RPlug Plug flow reactor Plug flow reactor One, two, or three-phase plug flow reactors withkinetic reactions in any phase. Plug flowreactions with external coolant.

RBatch Batch reactor Batch or semi-batchreactor

Batch and semi-batch reactors where thereaction kinetics are known

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Blocks: Pressure Changers


Pump Pump orhydraulicturbine

Change stream pressure whenthe pressure, power requirementor performance curve is known

Pumps and hydraulic turbines

Compr Compressor orturbine

Change stream pressure whenthe pressure, power requirementor performance curve is known

Polytropic compressors, polytropicpositive displacementcompressors, isentropiccompressors, isentropic turbines.

MCompr Multi-stagecompressor orturbine

Change stream pressure acrossmultiple stages with intercoolers.Allows for liquid knockoutstreams from intercoolers

Multistage polytropic compressors,polytropic positive compressors,isentropic compressors, isentropicturbines.

Valve Control valve Determine pressure drop orvalve coefficient (CV)

Multi-phase, adiabatic flow in ball,globe and butterfly valves

Pipe Single-segmentpipe

Determine pressure drop andheat transfer in single-segmentpipe or annular space

Multi-phase, one dimensional,steady-state and fully developedpipeline flow with fittings

Pipeline Multi-segmentpipe

Determine pressure drop andheat transfer in multi-segmentpipe or annular space

Multi-phase, one dimensional,steady-state and fully developedpipeline flow

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Blocks: Manipulators


Mult Stream multiplier Multiply stream flows by

a user supplied factor

Multiply streams for scale-up or

scale-down

Dupl Stream

duplicator

Copy a stream to any

number of outlets

Duplicate streams to look at

different scenarios in the same

flowsheet

ClChng Stream class

changer

Change stream class Link sections or blocks that use

different stream classes

Selector Stream selector Switch between different

inlet streams.

Test different flowsheet senarios

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Blocks: Solids

Model Description Uses

Crystallizer Continuous Crystallizer Mixed suspension, mixed product removal (MSMPR)crystallizeer used for the production of a single solid product

Crusher Crushers Gyratory/jaw crusher, cage mill breaker, and single ormultiple roll crushers

Screen Screens Solids-solids separation using screens

FabFl Fabric filters Gas-solids separation using fabric filters

Cyclone Cyclones Gas-solids separation using cyclones

VScrub Venturi scrubbers Gas-solids separation using venturi scrubbers

ESP Dry electrostatic precipitators Gas-solids separation using dry electrostatic precipitators

HyCyc Hydrocyclones Liquid-solids separation using hydrocyclones

CFuge Centrifuge filters Liquid-solids separation using centrifuge filters

Filter Rotary vacuum filters Liquid-solids separation using continuous rotary vacuumfilters

SWash Single-stage solids washer Single-stage solids washer

CCD Counter-current decanter Multistage washer or a counter-current decanter

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Blocks: User Models

Proprietary models or 3-rd party software can be included in an Aspen Plus flowsheet

using a User2 unit operation block.

Excel Workbooks or Fortran code can be used to define the User2 unit operation

model.

User-defined names can be associated with variables.

Variables can be dimensioned based on other input specifications (for example,

number of components).

Aspen Plus helper functions eliminate the need to know the internal data structure to

retrieve variables.

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Now you have to add the connections with the material stream.

When you click on Material you can view

the whole places where it is possible to

attach material streams to the equipment.

RED CONNECTION: necessary streams for

the equipment

BLUE CONNECTIONS: optional streams

for the equipment

Streams

Material streams

Energy streams

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4) Specify the component flow rates and the thermodynamic conditions of feed

streams

Simulation / Streams / Stream Name / Input

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4) Specify the component flow rates and the thermodynamic conditions of feed

streams

In the case of solids presence into the Aspen Plus

simulation environment it is need to consider:

The solid components within the simulation

distinguishing solid from fluid components.

The different ways of adding solids into simulations

(Stream Classes).

The moisture composition of those solids increase

fidelity in the definition of the bulk solid.

The particle size distribution of those solids increase

the fidelity of the description of the different bulk material

in the simulation.

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5) Specify the operating conditions for the unit operation models

Simulation / Blocks / Block Name/ Specifications

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Aspen Plus – Simulation

If each required data is correctly inserted you can run the simulation

Control panel shows if the simulation is completed with or without warnings (minor error)

or error.

Results can be viewed in Results tab related to Blocks and Streams

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Aspen Plus – Tuning & Validation

You have now to compare the model results with real data in order to validate the

model if the errors are negligible.

Tuning phase can be necessary

After validation the model can be used for scenario analyses

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Aspen Plus – Other useful features

Calculator Blocks

Sensitivity Analyses

Integration of Aspen Plus Model

etc.

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Calculator Blocks

Calculator Blocks allows the user to carry out flowsheet calculations using equations printed in

ad-hoc made excel spreadsheet or FORTRAN statements.

How to use the calculator block:

1. model variables to sample (import variables) or manipulate (export variables) must be

identified;

2. FORTRAN statements or Excel spreadsheet must be compiled;

3. the sequence in which the blocks are executed during flowsgeet calculations must be

specified.

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Calculator Blocks

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Definition of Manipulated variable Definition of Measured variable

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Plotting the results

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Integration of Aspen Plus Model

Notwithstanding the powerful simulation capabilities, in some cases it might be desirable to

exploit existing knowledge or process models developed in different simulation environments.

Aspen Plus offers a few options for interaction with external simulation environment and

software:

• Integration of Excel models into Aspen using the User2 model;

• Integration of Fortran models using the User model;

• Interaction with Excel spreadsheets through the Aspen Simulation Workbook (ASW);

• Interaction with external programs through COM interface;

• Interaction with models exported in Aspen Custom Modeler and Aspen Dynamics.

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Acknowledgment

This tranining course was developed within the project entitled ”REFFIPLANT

Efficient Use of Resources in Steel Plants through Process Integration”

(Contract No. RFSR-CT-2012-00039), and has received funding from the

Research Fund for Coal and Steel of the European Union, which is gratefully

acknowledged.

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References

1. Matino, I., Colla, V., Romaniello, L., Rosito, F., & Portulano, L. (2015, December). Simulation

techniques for an Efficient Use of Resources: An overview for the steelmaking field. In 2015

World Congress on Sustainable Technologies (WCST) (pp. 48-54). IEEE.

2. Matino, I., Colla, V., (2016). Improving Resource efficiency through a general purpose

methodological approach combining standard techniques, modelling and simulation, 2016.

3. Process Integration Limited Software, (2016) WATER-IntTM User Guide.

4. Larsson, M., Karlsson, M., Mardan, N. & Sandberg, J., (2010). Seminar ReMIND, Swerea

MEFOS.

5. Aspentech. Introduction to Flowsheet Simulation. Aspen Technology, 2000.

6. Aspentech. Aspen Plus – Getting Started Building and Running a Process Model. Aspen

Technology, November 2013.

7. Aspentech. Aspen Physical Property System 11.1. Aspen Technology, September 2001.

8. Aspentech. Aspen Plus12.1 User Guide. Aspen Technology, June 2003.

9. Aspentech. Getting Started with Solid Modeling in Aspen Plus – Training Course. Aspen One,

2012.

10. Aspen Plus V. 8.6, Help

11. Aspen Plus Getting Started Modeling Processes with Electrolytes User guide, Chapter 1

12. Aspen Plus knowledge base (solutions on support.aspentech.com website)

13. Aspen Plus User Models user guide, V 8.4

14. Aspen Simulation Workbook User Guide, V 7.1

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e-mail: [email protected]

[email protected]

thank you!

REFFIPLANT


mailto:[email protected]

mailto:[email protected]

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