DWSIM Pro User’s Guide - INTRODUCTION

DWSIM Pro
User’s Guide
Version 9.0.5
Copyright 2023-2025 CGC Capital-Gain Consultants GmbH

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 DWSIM Pro User’s Guide - INTRODUCTION

SUMMARY

1. INTRODUCTION .................................................................................................................................................. 8
2. REPORTING/DOCUMENTATION TOOLS .............................................................................................................. 9
2.1. Detailed Steady-State Simulation Report .................................................................................................... 9
2.2. Process Flowsheet Diagram ....................................................................................................................... 12
2.3. Process Datasheets .................................................................................................................................... 14
2.4. Excel Reports ............................................................................................................................................. 15
3. FLOWSHEET FEATURES ..................................................................................................................................... 17
3.1. Capital Cost Estimator ................................................................................................................................ 17
3.1.1. Introduction ....................................................................................................................................... 17
3.1.2. Usage Help ......................................................................................................................................... 17
3.1.2.1. Equipment Mapping .................................................................................................................. 18
3.1.2.2. Material Stream Mapping .......................................................................................................... 19
3.1.2.3. Utility Mapping ......................................................................................................................... 20
3.1.2.4. Capital Cost Summary ............................................................................................................... 20
3.1.2.5. Yearly Operating Cost Summary ................................................................................................ 21
3.1.2.6. Export Results ........................................................................................................................... 22
3.1.3. Cost Estimation Basis ......................................................................................................................... 22
3.1.3.1. Introduction............................................................................................................................... 22
3.1.3.2. Accuracy and Purpose of Capital Cost Estimates ....................................................................... 22
3.1.3.3. Cost Escalation (Inflation).......................................................................................................... 23
3.1.3.4. Calculation methods .................................................................................................................. 23
3.1.3.5. Using a cost index...................................................................................................................... 23
3.1.3.6. Cost Indexes in Engineering.......................................................................................................24
3.1.3.7. The Factorial Method for Capital Cost Estimation .....................................................................25
3.1.3.8. Lang factors ...............................................................................................................................25
3.1.3.9. Detailed factorial estimates ...................................................................................................... 26
3.1.3.10. Operating Costs ........................................................................................................................ 26
3.2. Greenhouse Gas (GHG) Emissions Estimation ........................................................................................... 28
3.2.1. Introduction ...................................................................................................................................... 28
3.2.2. GHG Emissions workflow .................................................................................................................. 28
3.3. Solids Manager ........................................................................................................................................... 31
3.3.1. Introduction ....................................................................................................................................... 31
3.3.2. Working with Particle Size Distributions (PSDs) ................................................................................. 32
3.3.2.1. Material Streams ....................................................................................................................... 32
3.3.2.2. Unit Operations .........................................................................................................................33
3.3.3. Viewing Results ................................................................................................................................. 34
3.4. New Object Editors.................................................................................................................................... 36
3.5. Bidirectional Solver.....................................................................................................................................37
3.5.1. Introduction .......................................................................................................................................37

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 DWSIM Pro User’s Guide - INTRODUCTION

3.5.2. General Usage Guidelines.................................................................................................................. 38

3.5.3. Supported Objects ............................................................................................................................. 41
3.5.4. Limitations ......................................................................................................................................... 41
3.5.5. Solver Configuration ..........................................................................................................................42
3.6. Single Object Calculation Mode ..................................................................................................................42
3.7. Heatmaps .................................................................................................................................................. 43
3.8. Live Flows .................................................................................................................................................. 44
3.9. Material Stream Data Importing Tool ........................................................................................................ 44
3.10. Other Features .......................................................................................................................................... 45
3.10.1. Find Tear Streams.............................................................................................................................. 45
3.10.2. Export to PNG Image ........................................................................................................................ 47
4. UNIT OPERATIONS ............................................................................................................................................ 48
4.1. Three-Phase Reactive Distillation Column ................................................................................................. 48
4.2. PPBDesigner Column: Advanced L-L extraction simulation ....................................................................... 48
4.2.1. PPBDesigner Editor ........................................................................................................................... 48
4.2.2. Internal and external Geometry ........................................................................................................ 49
4.2.3. Operating conditions ........................................................................................................................ 50
4.2.4. Mass Transfer ..................................................................................................................................... 51
4.2.5. Hydrodynamics ..................................................................................................................................52
4.2.6. Distribution coefficient (Partition ratio) ............................................................................................ 54
4.2.7. Solver settings ...................................................................................................................................55
4.2.8. View and export of results .................................................................................................................55
4.3. Pipe Network............................................................................................................................................. 56
4.3.1. Introduction ...................................................................................................................................... 56
4.3.2. Model Features ................................................................................................................................. 56
4.3.3. Usage Help .........................................................................................................................................57
4.4. (Semi)Batch Reactor ................................................................................................................................. 60
4.4.1. Operation Modes ............................................................................................................................... 61
4.4.2. Thermodynamic Calculations ............................................................................................................ 63
4.4.3. Initial charge ..................................................................................................................................... 63
4.4.4. Kinetic Reaction Set .......................................................................................................................... 64
4.5. Falling Film Evaporator .............................................................................................................................. 64
4.5.1. Details of Calculation Modes 1, 2 and 3.............................................................................................. 65
4.5.2. Direct Steam calculation mode details .............................................................................................. 66
4.6. Material/Energy Stream Switch ................................................................................................................. 68
4.7. Material Stream Mapper ........................................................................................................................... 69
4.8. Energy Stream Splitter .............................................................................................................................. 69
4.9. Thermo Property Editor............................................................................................................................. 69
4.10. Screener .................................................................................................................................................... 70
4.11. Cyclone/Hydrocyclone ................................................................................................................................ 71

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4.12. Crusher/Grinder ..........................................................................................................................................73

5. EXTERNAL MATH SOLVERS ................................................................................................................................75
6. PROPERTY PACKAGES........................................................................................................................................ 77
6.1. Amines........................................................................................................................................................ 77
6.1.1. Model Description.............................................................................................................................. 77
6.1.2. Model Applicability Range and Limitations ........................................................................................ 77
6.2. REFPROP ................................................................................................................................................... 78
6.3. Enhanced Property Packages .................................................................................................................... 78
7. REFERENCES ..................................................................................................................................................... 79

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 DWSIM Pro User’s Guide - INTRODUCTION

LIST OF FIGURES

Figure 1 – Detailed Report summary ................................................................................................ 9

Figure 2 – Detailed Report configuration options ......................................................................... 10
Figure 3 – Select Material Stream properties ................................................................................ 10
Figure 4 – Select Unit Operation properties .................................................................................. 11
Figure 5 – Detailed Report export options .................................................................................... 11
Figure 6 – Preview Detailed Report ............................................................................................... 12
Figure 7 - Process Flowsheet Diagram tool.................................................................................... 13
Figure 8 - Project Details panel ........................................................................................................ 14
Figure 9 - Create Process/Mechanical Datasheet tool ...................................................................... 15
Figure 10 - Preview Datasheet window ........................................................................................... 15
Figure 11 - Excel Reporting tool ...................................................................................................... 16
Figure 12 - Excel Reports in new object editors ............................................................................. 16
Figure 13 - Capital Cost Estimation Tool ......................................................................................... 18
Figure 14 - Equipment Mapping ..................................................................................................... 18
Figure 15 - Overriding an equipment price ..................................................................................... 19
Figure 16 - Material Stream mapping ............................................................................................. 19
Figure 17 - Entering costing information for Material Streams...................................................... 20
Figure 18 - Utility Mapping ............................................................................................................. 20
Figure 19 - Entering Costing information for Utility Streams ......................................................... 20
Figure 20 - Capital Cost Summary .................................................................................................. 21
Figure 21 - Operating Cost Summary .............................................................................................. 21
Figure 23 – Edit GHG Emission Data (Material Streams)................................................................ 28
Figure 24 – Edit GHG Emission Data (Energy Streams) .................................................................. 29
Figure 25 – GHG Emission panel ..................................................................................................... 30
Figure 26 – Selecting Total GHG Emissions property ..................................................................... 30
Figure 27 – Analyzing Total GHG Emissions.................................................................................... 31
Figure 28 – Solids Manager panel .................................................................................................. 31
Figure 29 – Create New PSD from known distribution model ....................................................... 32
Figure 30 – Normal Distribution parameters ................................................................................. 32
Figure 31 – Associate PSDs with Feed Streams .............................................................................. 33
Figure 32 – Associate PSDs with legacy Unit Operations .............................................................. 33
Figure 33 – Viewing PSD-related results from legacy Unit Operations.......................................... 34
Figure 34 – Viewing results from Unit Operations that support PSDs natively ............................. 34
Figure 35 – PSD Comparer ............................................................................................................. 35
Figure 36 – Particle Size information for solid Material Streams .................................................. 36
Figure 37 - New Object Editor for Material Streams ...................................................................... 36
Figure 38 - Enable/Disable New Object Editors.............................................................................. 37
Figure 39 - Bidirectional Solver in action........................................................................................ 38
Figure 40 - Bidirectional Solver toolbar ......................................................................................... 38
Figure 41 - Entering molar fractions for a Material Stream when the Bidirectional Solver is
enabled .......................................................................................................................................... 39
Figure 42 - Entering Stream properties when the Bidirectional Solver is enabled ........................ 39
Figure 43 - Calculated Material Stream .......................................................................................... 40
Figure 44 - Bidirectional Solver editor for supported objects ....................................................... 40
Figure 45 - Bidirectional Solver editor for unsupported objects ................................................... 41

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Figure 46 - Bidirectional Solver configuration window ................................................................. 42

Figure 47 - Single Object Calculation Mode ................................................................................... 43
Figure 48 - Flowsheet Heatmaps ..................................................................................................... 43
Figure 49 - Live Flows ...................................................................................................................... 44
Figure 50 – Material Stream Data Importer Tool .............................................................................. 45
Figure 51 - Accessing the 'Find Tear Streams' tool ......................................................................... 46
Figure 52 - Flowsheet with recycle blocks automatically added by the 'Find Tear Streams' tool.. 46
Figure 53 - Export Flowsheet to PNG Image .................................................................................. 47
Figure 54: PPBDesigner Editor ......................................................................................................... 49
Figure 55: Internal column dimensions (Kühni column internals). ................................................... 49
Figure 56: External Column Dimensions. ......................................................................................... 50
Figure 57: External Column Dimensions. ......................................................................................... 50
Figure 58: Operating conditions section. ......................................................................................... 50
Figure 59: Mass Transfer Coefficient rubric. ..................................................................................... 51
Figure 60: Breakage, coalescence, and axial dispersion correlations. .............................................. 52
Figure 61: Models for droplet and continuous phase velocity. ......................................................... 53
Figure 62: Parameters for the inlet feed distribution. ...................................................................... 54
Figure 63: Distribution coefficient- Estimation options. ................................................................... 55
Figure 64: Solver settings rubric. ..................................................................................................... 55
Figure 65: Results Tab in the PPDesigner column sidebar. ............................................................... 56
Figure 66 - Pipe Network editor .................................................................................................... 57
Figure 67 - Network Designer ........................................................................................................ 58
Figure 68 - Network Object editor ................................................................................................. 58
Figure 69 - Solving a Pipe Network block ...................................................................................... 59
Figure 70 - Viewing results from a calculated Pipe Network object .............................................. 59
Figure 71 - Viewing results from a calculated Pipe Network object (2).......................................... 60
Figure 72 –(Semi)Batch Reactor model. ........................................................................................ 60
Figure 73 –(Semi)Batch Reactor operation settings...................................................................... 61
Figure 74 –(Semi)Batch Reactor Jacket configuration. ................................................................. 62
Figure 75 –(Semi)Batch Reactor initial charge input window. ...................................................... 63
Figure 76 - Falling Film Evaporator Unit Operation – Common Input parameters ........................ 64
Figure 77 - Falling Film Evaporator Unit Operation – Evaporation Profile ..................................... 65
Figure 78 - Falling Film Evaporator Unit Operation – input parameters for Energy Stream
calculation mode ........................................................................................................................... 66
Figure 79 - Falling Film Evaporator Unit Operation – input parameters for Direct Steam +
Evaluation calculation mode.......................................................................................................... 66
Figure 80 - Falling Film Evaporator Unit Operation – input parameters for Direct Steam + Design
calculation mode ........................................................................................................................... 67
Figure 81 - Falling Film Evaporator Unit Operation – input parameters for Direct Steam + Design
without Sizing calculation mode ................................................................................................... 67
Figure 82 - Falling Film Evaporator Unit Operation – Typical Results ............................................ 68
Figure 83 - Material Stream Mapper editor ................................................................................... 69
Figure 84 – Screener Unit Operation ............................................................................................. 70
Figure 85 – Screener input parameters ......................................................................................... 70
Figure 86 – Screener results .......................................................................................................... 71
Figure 87 – Cyclone/Hydrocyclone Unit Operation........................................................................ 71
Figure 88 - Cyclone/Hydrocyclone input parameters .................................................................... 72

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Figure 89 – Cyclone/Hydrocyclone separation efficiency curve .................................................... 72

Figure 90 – Cyclone/Hydrocyclone calculation results .................................................................. 73
Figure 91 – Feed+Products PSD comparison for Cyclone/Hydrocyclone ....................................... 73
Figure 92 – Crusher/Grinder Unit Operations ................................................................................ 74
Figure 93 - Crusher/Grinder input parameters ............................................................................... 74
Figure 94 - Crusher/Grinder calculation results.............................................................................. 75
Figure 95 - External Solver selection ................................................................................................ 76

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 DWSIM Pro User’s Guide - INTRODUCTION

1. INTRODUCTION

This user guide details the additional features of DWSIM Pro. For information on features shared
between the Open-Source and Pro versions, see the main DWSIM User’s Guide.

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 DWSIM Pro User’s Guide - REPORTING/DOCUMENTATION TOOLS

2. REPORTING/DOCUMENTATION TOOLS

2.1. Detailed Steady-State Simulation Report

Use this tool (Results menu > Detailed Steady-State Simulation Report) to create a detailed report
of the flowsheet including flowsheet/project general information, object properties, special charts, CAPE-
OPEN reports, Mass and Energy Balance, GHG Emissions and CAPEX summaries.

Figure 1 – Detailed Report summary

Setup the report by checking the boxes corresponding to the items that you want to include and
select the properties that you want to be displayed for Material Streams and Unit Operations, then go to
the last Tab to Preview the report, save it to a PDF file or to save it to a Microsoft Word file. If you choose
to include CAPE-OPEN reports for ChemSep columns, they can take longer to be included, so please be
patient while the report is being generated.

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 DWSIM Pro User’s Guide - REPORTING/DOCUMENTATION TOOLS

Figure 2 – Detailed Report configuration options

Figure 3 – Select Material Stream properties

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 DWSIM Pro User’s Guide - REPORTING/DOCUMENTATION TOOLS

Figure 4 – Select Unit Operation properties

Figure 5 – Detailed Report export options

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Figure 6 – Preview Detailed Report

2.2. Process Flowsheet Diagram

Use this tool (Results menu > Process Flowsheet Diagram) to create a professional-looking Process
Flowsheet Diagram (PFD) document that can be exported to a PDF document or to a PNG image.

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Figure 7 - Process Flowsheet Diagram tool

Use annotations in Material Streams to enter information that will be displayed in the inlet and
outlet flags. Edit Project and Company information in the Simulation Settings panel:

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 DWSIM Pro User’s Guide - REPORTING/DOCUMENTATION TOOLS

Figure 8 - Project Details panel

2.3. Process Datasheets

You can generate Process + Mechanical Datasheets for some selected Unit Operations through the
new object editor, “Reports/Sheets” panel. The currently supported Unit Operations are:

- Heat Exchanger
- Air Cooler
- Pump
- Valve

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 DWSIM Pro User’s Guide - REPORTING/DOCUMENTATION TOOLS

Figure 9 - Create Process/Mechanical Datasheet tool

The Datasheet is filled with process and project information. The Preview window allows you to
edit or add more information before exporting the datasheet to a XLSX file or to a PDF file.

Figure 10 - Preview Datasheet window

2.4. Excel Reports

This tool (Results > Excel Reports) can generate reports for all objects on the flowsheet. You can
customize the objects and properties to show and select a custom display order.

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Figure 11 - Excel Reporting tool

The generated report can be saved to a spreadsheet that can be further customized to fulfill your
needs. This feature can also be accessed through the Reports/Sheets tab in the new object editors, Export
Excel Report (Detailed) item:

Figure 12 - Excel Reports in new object editors

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 DWSIM Pro User’s Guide - FLOWSHEET FEATURES

3. FLOWSHEET FEATURES

3.1. Capital Cost Estimator

3.1.1. Introduction

This feature enables estimation of capital and operating costs for a Chemical Processing Plant based
on data from the currently active flowsheet.

The costing subsystem includes the following features:

- Capital Cost Estimation

- Yearly Operating Cost Estimation
- Saving/Loading of Cost Reports
- Compare multiple Cost Reports
- Export results to DOC/ODT/XLS/ODS/PDF files
- Automatic mapping for selected equipments, product/raw streams and utilities
- Price correction based on CEPCI and IPC Cost Indexes
- Currency conversion

3.1.2. Usage Help

A new tab called “Costing” is visible in DWSIM Pro, which holds the Capital Cost Case Manager.
The manager allows you to handle multiple cases for the same simulation. Each case is displayed in a
different tab. When you create a new simulation, a default case called “MyReport” is already available for
editing.

On the “Report Setup” tab, you will enter basic report information like name, description,
reference date, cost index selection and currency details.

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Figure 13 - Capital Cost Estimation Tool

3.1.2.1. Equipment Mapping

Some equipments are automatically mapped from Unit Operations, though you can modify the
calculated values and change the selected equipments at any time. The correction factors are multiplied
by the current prices to form the final total equipment cost.

You can enter equipment information either from the Costing/Equipment Mapping tab or directly
through the Costing tab if the ‘New Object Editors’ feature is enabled.

Figure 14 - Equipment Mapping

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Figure 15 - Overriding an equipment price

3.1.2.2. Material Stream Mapping

Material Streams can be mapped to Raw Materials and/or Products, which will be used to calculate
Yearly Operating Costs.

You can enter the costing information either from the Costing/Material Stream Mapping tab or
directly through the Costing tab if the ‘New Object Editors’ feature is enabled.

Figure 16 - Material Stream mapping

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Figure 17 - Entering costing information for Material Streams

3.1.2.3. Utility Mapping

You can map Material and Energy Streams to some predefined Process Utilities, and the plugin will
automatically calculate the cost based on the mass or energy flow, depending on the stream type.

You can enter the utility information either from the Costing/Utility Mapping tab or directly
through the Costing tab if the ‘New Object Editors’ feature is enabled.

Figure 18 - Utility Mapping

Figure 19 - Entering Costing information for Utility Streams

3.1.2.4. Capital Cost Summary

Here you'll see a summary of the items that make up the Total Capital Cost. You can change the
calculation basis (Percentage or Absolute value) for most items, except for those who are calculated based
on the previously mapped items.

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Figure 20 - Capital Cost Summary

3.1.2.5. Yearly Operating Cost Summary

Here you'll see a summary of the items that make up the Total Yearly Operating Cost. You can
change the calculation basis (Percentage or Absolute value) for most items, except for those who are
calculated based on the previously mapped items.

Figure 21 - Operating Cost Summary

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3.1.2.6. Export Results

You can export the calculated results to a document file (DOC, ODT, PDF) or a spreadsheet file
(XLS, ODS).

3.1.3. Cost Estimation Basis

Most of the calculation methods on this tool are based on the Factorial Method described on the
Chemical Engineering Design book by R. K. Sinott, which you should refer to for more information. (Towler,
et al.)

3.1.3.1. Introduction

Cost estimation is a specialised subject and a profession in its own right. The design engineer,
however, needs to be able to make quick, rough, cost estimates to decide between alternative designs
and for project evaluation. Chemical plants are built to make a profit, and an estimate of the investment
required, and the cost of production are needed before the profitability of a project can be assessed.

3.1.3.2. Accuracy and Purpose of Capital Cost Estimates

The accuracy of an estimate depends on the amount of design detail available: the accuracy of the
cost data available; and the time spent on preparing the estimate. In the early stages of a project only an
approximate estimate will be required, and justified, by the amount of information by then developed.

Capital cost estimates can be broadly classified into three types according to their accuracy and
purpose:

- Preliminary (approximate) estimates, accuracy typically 30 per cent, which are used in initial
feasibility studies and to make coarse choices between design alternatives. They are based on
limited cost data and design detail.
- Authorization (Budgeting) estimates, accuracy typically 10 15 per cent. These are used for the
authorization of funds to proceed with the design to the point where an accurate and more
detailed estimate can be made. Authorization may also include funds to cover cancellation charges
on any long delivery equipment ordered at this stage of the design to avoid delay in the project. In
a contracting organization this type of estimate could be used with a large contingency factor to
obtain a price for tendering. Normally, however, an accuracy of about š5 per cent would be needed
and a more detailed estimate would be made, if time permitted. With experience, and where a
company has cost data available from similar projects, estimates of acceptable accuracy can be
made at the flow-sheet stage of the project. A rough P&I diagram and the approximate sizes of
the major items of equipment would also be needed.
- Detailed (Quotation) estimates, accuracy 5-10 per cent, which are used for project cost control and
estimates for fixed price contracts. These are based on the completed (or near complete) process
design, firm quotations for equipment, and a detailed breakdown and estimation of the
construction cost.

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The cost of preparing an estimate increases from about 0.1 per cent of the total project cost for 30 per
cent accuracy, to about 2 per cent for a detailed estimate with an accuracy of 5 per cent.

3.1.3.3. Cost Escalation (Inflation)

The cost of materials and labor has been subject to inflation since Elizabethan times. All cost-
estimating methods use historical data, and are themselves forecasts of future costs. Some method has
to be used to update old cost data for use in estimating at the design stage, and to forecast the future
construction cost of the plant.

The method usually used to update historical cost data makes use of published cost indices. These
relate present costs to past costs, and are based on data for labor, material and energy costs published in
government statistical digests.

Chemical plant cost indexes are dimensionless numbers employed to updating capital cost
required to erect a chemical plant from a past date to a later time, following changes in the value of money
due to inflation and deflation. Since, at any given time, the number of chemical plants is insufficient to use
in a preliminary or predesign estimate, cost indexes are handy for a series of management purposes, like
long-range planning, budgeting and escalating or de-escalating contract costs. (Estimating Plant
Construction Costs, 1997)

A cost index is the ratio of the actual price in a time period compared to that in a selected base
period (a defined point in time or the average price in a certain year), multiplied by 100. Raw materials,
products and energy prices, labor and construction costs change at different rates, and plant construction
cost indexes are actually a composite, able to compare generic chemical plants capital costs.

3.1.3.4. Calculation methods

Although the available indexes are compiled in several ways, they are defined to encompass a
specific set of conditions and items. Prices for these items can be obtained either through company’s
purchasing department data or through published indexes, like those published by the Bureau of Labor
Statistics (BLS) (Humphreys, 2005). Both the CE and the IC indexes, from Chemical Engineering and
Intratec, respectively, employs BLS’ data.

The weighting of such factors, which is defined by the realized degree of importance of each
component in the specific index (or sub-index), aims to represent the costs variations typically found for
chemical plants.

3.1.3.5. Using a cost index

To update an item cost (equipment, projects) from period A to period B, is necessary to multiply
period A’s cost by the ratio of period B’s index over period A’s index, according to the following equation:

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𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖 𝑎𝑎𝑎𝑎 𝐵𝐵
𝐶𝐶𝐶𝐶𝐶𝐶𝐶𝐶 𝑎𝑎𝑎𝑎 𝐵𝐵 = 𝐶𝐶𝐶𝐶𝐶𝐶𝐶𝐶 𝑎𝑎𝑎𝑎 𝐴𝐴
𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖𝑖 𝑎𝑎𝑎𝑎 𝐴𝐴

As a rule-of-thumb, cost indexes permit fairly accurate estimates for cost escalation if the difference
between period A and period B is less than 10 years. Differences between the actual equipment and labor
prices and those predicted by the index tend to grow over the years, surpassing the typical error verified
in budget-level estimates (Peters, et al., 2004) (Updating the CE Plant Cost Index, 2002).

3.1.3.6. Cost Indexes in Engineering

The selection of the proper index to use depends on the industry in which it is applied. For example,
while CE, M&S or IC Index are typically employed for chemical process industries, the ENR (Engineering
News-Record) construction index is used for general industrial construction and takes in account the prices
for fixed amounts of structural steel, cement, lumber and labor.

The majority of cost indexes demonstrate a time lag, due to data collection and its compilation for
publishing. As stated before, some indexes use information published by other organizations and a delay
in data may be verified (like those provide by the BLS). Exceptions to this are the ENR construction and
the IC indexes, which present relatively current values.

The main indexes available for process industries include:

- Chemical Engineering Index, CEPCI: composed of 4 major components – equipment, construction

labor, buildings, and engineering and supervision – the index is employed primary as a process
plant construction index, was established using a base period of 1957-1959 as 100. The CE Index is
updated monthly and it lags in time by about 3 months. The CE Index was revised in 1982, to
account for changes in labor productivity and, again, in 2002. (Couper, 2003) Published in each
issue of Chemical Engineering (Albright, 2008) (Access Intelligence, 2023).
- Marshall and Swift Cost Index, M&S (originally known as Marshall and Stevens Index): a composite
of two major components - process-industry equipment average and all-industry equipment
average - was established in 1926 with a value of 100. Some industries considered in the process-
industry equipment average are chemicals, petroleum products, rubber and paper. The all-industry
average encompasses 47 different types of industrial, commercial and housing equipment.
Published monthly in each issue of Chemical Engineering until April 2012.
- Intratec Chemical Plant Construction Index, IPC: a process plant construction index developed by
Intratec, a chemical consulting company. Although cost indexes do not usually forecast future
escalation, the IC Index stands out for presenting a smaller delay between release date and index
date, besides a 12 months forecast. On the other hand, the index is only available from January
2000 (with a value of 100). A sample is available at Intratec’s website (Intratec, 2023).
- Nelson-Farrar Indexes, NF (originally known as the Nelson Refinery Construction Indexes):
established in 1946 with a value of 100, the index is more suitable for petroleum or petrochemical
business. Published once a month in the Oil and Gas Journal.

3.1.3.6.1. Location Factor

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In order to be able to use the available standard indexes to locations where index data is not
available, we have to incorporate a new term called the Location Factor (LF) to the standard index value.
It is a dimensionless value for a particular location relative to either of the above-mentioned basis:

𝐶𝐶𝐶𝐶𝐶𝐶𝐶𝐶 𝑖𝑖𝑖𝑖 𝐴𝐴 = 𝐶𝐶𝐶𝐶𝐶𝐶𝐶𝐶 𝑖𝑖𝑖𝑖 𝑈𝑈𝑈𝑈𝑈𝑈𝑈𝑈 ⋅ 𝐿𝐿𝐿𝐿(𝐴𝐴)

where 𝐴𝐴 is the location for which cost is being evaluated and 𝐿𝐿𝐿𝐿(𝐴𝐴) is the location factor for the location
𝐴𝐴 relative to USGC.

Location factors are greatly influenced by currency exchange rates due to their significant effect on Index
value and hence vary drastically with time. Over the past couple of decades the location factors for various
locations are trending close to the value 1. However location factor for a particular region within a country
can be easily determined by adding 10% to the index of the reference location for every 1000 miles. The
reference location is usually a major industrial location closest to the location where the index is being
determined. Location factors for various locations have been published and updated in various journals as
in Aspen Richardson's "International Construction Cost Factor Location Manual (2003)".

3.1.3.7. The Factorial Method for Capital Cost Estimation

Capital cost estimates for chemical process plants are often based on an estimate of the purchase
cost of the major equipment items required for the process, the other costs being estimated as factors of
the equipment cost. The accuracy of this type of estimate will depend on what stage the design has
reached at the time the estimate is made, and on the reliability of the data available on equipment costs.
In the later stages of the project design, when detailed equipment specifications are available and firm
quotations have been obtained, an accurate estimation of the capital cost of the project can be made.

3.1.3.8. Lang factors

The factorial method of cost estimation is often attributed to Lang (1948). The fixed capital cost of
the project is given as a function of the total purchase equipment cost by the equation:

𝐶𝐶𝐶𝐶𝐷𝐷 = 𝑓𝑓𝐿𝐿 ⋅ 𝐶𝐶𝑒𝑒

where 𝐶𝐶𝐶𝐶𝐷𝐷 is fixed capital cost, 𝐶𝐶𝑒𝑒 is the total delivered cost of all the major equipment items: storage
tanks, reaction vessels, columns, heat exchangers, etc. and 𝑓𝑓𝐿𝐿 is the Lang factor, which depends on the
type of process.

The values given above should be used as a guide; the factor is best derived from an organization’s
own cost files. The above equation can be used to make a quick estimate of capital cost in the early stages
of project design, when the preliminary flowsheets have been drawn up and the main items of equipment
roughly sized.

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3.1.3.9. Detailed factorial estimates

3.1.3.9.1. Direct costs

To make a more accurate estimate, the cost factors that are compounded into the “Lang factor” are
considered individually. The direct-cost items that are incurred in the construction of a plant, in addition to
the cost of equipment are:

- Equipment erection, including foundations and minor structural work.

- Piping, including insulation and painting.
- Electrical, power and lighting.
- Instruments, local and control room.
- Process buildings and structures.
- Ancillary buildings, offices, laboratory buildings, workshops.
- Storages, raw materials and finished product.
- Utilities (Services), provision of plant for steam, water, air, firefighting services (if not costed
separately).
- Site, and site preparation.

The contribution of each of these items to the total capital cost is calculated by multiplying the total
purchased equipment by an appropriate factor. As with the basic “Lang factor”, these factors are best
derived from historical cost data for similar processes. Typical values for the factors are given in several
references, Happle and Jordan (1975) and Garrett (1989). Guthrie (1974), splits the costs into the material
and labour portions and gives separate factors for each. In a booklet published by the Institution of
Chemical Engineers, IChemE (1988), the factors are shown as a function of plant size and complexity.

The accuracy and reliability of an estimate can be improved by dividing the process into sub-units and
using factors that depend on the function of the sub-units; see Guthrie (1969). In Guthrie’s detailed method
of cost estimation the installation, piping and instrumentation costs for each piece of equipment are
costed separately. Detailed costing is only justified if the cost data available are reliable and the design has
been taken to the point where all the cost items can be identified and included.

In addition to the direct cost of the purchase and installation of equipment, the capital cost of a project
will include the indirect costs listed below. These can be estimated as a function of the direct costs.

3.1.3.9.2. Indirect costs

Design and engineering costs, which cover the cost of design and the cost of “engineering” the
plant: purchasing, procurement and construction supervision. Typically 20 per cent to 30 per cent of the
direct capital costs. Contractor’s fees, if a contractor is employed his fees (profit) would be added to the
total capital cost and would range from 5 per cent to 10 per cent of the direct costs. Contingency
allowance, this is an allowance built into the capital cost estimate to cover for unforeseen circumstances
(labor disputes, design errors, adverse weather). Typically 5 per cent to 10 per cent of the direct costs.

3.1.3.10. Operating Costs

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An estimate of the operating costs, the cost of producing the product, is needed to judge the
viability of a project, and to make choices between possible alternative processing schemes. These costs
can be estimated from the flow-sheet, which gives the raw material and service requirements, and the
capital cost estimate.

The cost of producing a chemical product will include the items listed below. They are divided into two
groups.

- Fixed operating costs: costs that do not vary with production rate. These are the bills that have to
be paid whatever the quantity produced.
- Variable operating costs: costs that are dependent on the amount of product produced.

3.1.3.10.1. Fixed costs

- Maintenance (labor and materials).

- Operating labor.
- Laboratory costs.
- Supervision.
- Plant overheads.
- Capital charges.
- Rates (and any other local taxes).
- Insurance.
- License fees and royalty payments.

3.1.3.10.2. Variable costs

- Raw materials.
- Miscellaneous operating materials.
- Utilities (Services).
- Shipping and packaging.

The division into fixed and variable costs is somewhat arbitrary. Certain items can be classified without
question, but the classification of other items will depend on the accounting practice of the particular
organization.

The items may also be classified differently in cost sheets and cost standards prepared to monitor the
performance of the operating plant. For this purpose the fixed-cost items should be those over which the
plant supervision has no control, and the variable items those for which they can be held accountable.

The costs listed above are the direct costs of producing the product at the plant site. In addition to
these costs the site will have to carry its share of the Company’s general operating expenses. These will
include:

- General overheads.

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- Research and development costs.

- Sales expenses.
- Reserves.
- How these costs are apportioned will depend on the Company’s accounting methods. They would
add about 20 to 30 per cent to direct production costs at the site.

3.2. Greenhouse Gas (GHG) Emissions Estimation

3.2.1. Introduction

This feature enables estimation of greenhouse gas emissions from equipments and streams in the
process being modeled so you can analyze and optimize it based on the total emissions of the plant.

3.2.2. GHG Emissions workflow

- Setup GHG Emissions for Flowsheet Objects:

Double-click on an object to open the editor and go to the “GHG Emissions” tab. You can edit the
emission details for the selected object.

For Material Streams, DWSIM Pro will use composition and flow information to determine the amount
of emitted gases.

Figure 22 – Edit GHG Emission Data (Material Streams)

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For Energy Streams, you will need to define what fuel is associated with the energy generated by the
stream, so DWSIM can use the corresponding emission factors to determine the emitted gases. The Energy
Conversion Efficiency parameter defines how much gas is emitted in order to generate the amount of
power from the Energy Stream.

Figure 23 – Edit GHG Emission Data (Energy Streams)

- Viewing Total GHG Emissions from the Flowsheet:

In the GHG Emissions tab, you can visualize the emissions for all emission-enabled objects and the
overall emissions from the flowsheet.

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Figure 24 – GHG Emission panel

Overall emissions from the flowsheet can be later used in Optimization and Sensitivity studies:

Figure 25 – Selecting Total GHG Emissions property

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Figure 26 – Analyzing Total GHG Emissions

3.3. Solids Manager

3.3.1. Introduction

The Solids Manager is the hub in DWSIM Pro to work with Particle Size Distributions (PSDs) of solid
compounds. From this hub you can add, edit, delete PSDs, associate PSDs with compounds in Feed
Streams and legacy Unit Operations, and compare different PSDs from different objects in the flowsheet.
PSD data can also be exported to PNG and XLSX files.

Figure 27 – Solids Manager panel

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3.3.2. Working with Particle Size Distributions (PSDs)

PSDs are defined by entering particle sizes and mass fractions. The mass fraction value refers to
the amount of compound that exists between the previous diameter and the current one. In the picture
below, the amount 0.000308 refers to the amount of compound that has a diameter higher than 0.70 mm
and lower than 1.63 mm.

Figure 28 – Create New PSD from known distribution model

Apart from entering data manually, you can create PSDs based on normal, log normal, Weibull and
Skewer Generalized T distributions. Some parameters are required for each type of distribution.

Figure 29 – Normal Distribution parameters

Click on a distribution to view and edit its data and use the “+” button to add new PSDs manually
and the “X” button to remove existing PSDs from the flowsheet.

3.3.2.1. Material Streams

Through this panel you can associate PSDs with solid compounds in feed Material Streams. These
PSDs will then be used and processed by the Unit Operation blocks in the flowsheet.

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Figure 30 – Associate PSDs with Feed Streams

3.3.2.2. Unit Operations

Use this panel to associate PSDs with Unit Operation blocks that don’t support PSDs directly, like
reactor blocks that produce a solid compound that is not present in the feed.

Figure 31 – Associate PSDs with legacy Unit Operations

In the picture below, a Gibbs reactor has a PSD associated with the solid carbon compound that is
produced as the result of the reactions taking place. The PSD can then be inspected by checking the
“Solids” panel in the Material Stream editor.

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Figure 32 – Viewing PSD-related results from legacy Unit Operations

Unit Operation blocks that support PSDs natively like the Cyclone Op have their own panels to view
and analyze the results.

Figure 33 – Viewing results from Unit Operations that support PSDs natively

3.3.3. Viewing Results

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The Comparer panel allows you to compare PSDs from different Material Streams for a given
compound. You can export the data to a PNG file or to an Excel spreadsheet.

Figure 34 – PSD Comparer

If a given Material Stream has a PSD associated with a compound that has a mass flow higher than
zero, you will see two new properties in the Solid Phase Properties editor tab: Mean Particle Size and
Particle Size Standard Deviation. These properties are available to be used in sensitivity analysis and
optimization studies.

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Figure 35 – Particle Size information for solid Material Streams

3.4. New Object Editors

DWSIM Pro contains a new set of object editors, activated by default on new and existing
simulations. These editors can be accessed with a double mouse-click over the object and replace the
previous sidebar editors from the open-source version of DWSIM.

The new editors add new panels so you can include the new features and tools from DWSIM Pro
in your workflow, which are: Costing and Reports/Sheets.

Figure 36 - New Object Editor for Material Streams

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To disable or enable the new editors, go to the Simulation Settings Panel > Pro Features tab:

Figure 37 - Enable/Disable New Object Editors

3.5. Bidirectional Solver

3.5.1. Introduction

The Bidirectional Solver allows you to define/calculate unit operation blocks with indirect
specifications, that is, information travelling backwards. Material flow information is propagated forwards
and backwards across the flowsheet according to your inputs.

The Bidirectional Solver includes an all-new object editor style which is compatible with the
industry standards.
In the screenshot below, the Heater block is calculated using flow information defined in stream 2
and temperature defined in stream 6. The pressure drop in VALVE-1 is calculated using the pressure
informed by the user for stream 4.

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Figure 38 - Bidirectional Solver in action

3.5.2. General Usage Guidelines

After enabling the Bidirectional Solver, double-click on an object to open its property editor.

Figure 39 - Bidirectional Solver toolbar

The bidirectional Solver runs every time you change a property from an object. The objects are
calculated according to the available information "travelling" back and forth across the flowsheet. You can
also force a solver run by pressing the corresponding button in the toolbar.

When defining material streams, give preference to inputting molar fractions, temperature,
pressure and overall mass flow. Leave one of the molar fractions blank and the solver will calculate it
automatically, otherwise the stream will not be calculated due to overspecification.

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Figure 40 - Entering molar fractions for a Material Stream when the Bidirectional Solver is enabled

Figure 41 - Entering Stream properties when the Bidirectional Solver is enabled

If the stream has enough information, it will be automatically calculated, and you'll be able to see
its properties.

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Figure 42 - Calculated Material Stream

Supported Unit Operations can be solved by entering indirect specifications, that is, defining
properties on outlet streams. For instance, you can calculate a Heater by defining the temperature of
its outlet stream.

Figure 43 - Bidirectional Solver editor for supported objects

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Unsupported Unit Operations will always be calculated using information collected from their inlet
streams and own parameters. The editor window will let you know if the selected object is supported or
not.

Figure 44 - Bidirectional Solver editor for unsupported objects

3.5.3. Supported Objects

- Material Stream
- Energy Stream
- Valve
- Pump
- Compressor
- Expander
- Heater
- Cooler
- Gas-Liquid Separator
- Mixer
- Splitter

3.5.4. Limitations

- For Material Streams, only Molar/Mass Fractions + Temperature + Pressure + Mass/Molar Flow
definitions are supported.
- Not all calculation modes are supported by the Bidirectional Solver for the currently supported
Unit Operations. If you want to use these modes, disable the Bidirectional Solver and proceed with
the specifications using the regular editors + flowsheet solver.
- Logical blocks were not tested (Recycle, Controller/Adjust, Specification).

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- The Bidirectional Solver behavior when working with flowsheets containing unsupported Unit
Operations is unpredictable. If you find any problems, please disable the Bidirectional Solver and
proceed with the specifications using the regular editors + flowsheet solver.

3.5.5. Solver Configuration

In the Solver Configuration window, you can clear all specified variables at once, define the indirect
specification solver parameters and request/suggest a new feature to be added in the next releases.

Figure 45 - Bidirectional Solver configuration window

3.6. Single Object Calculation Mode

This feature allows you to perform calculations in a unit operation as if it was the only block added
to the flowsheet, that is, you can edit its inlet material streams to perform sensitivity analyses even if they
are connected to another unit operation. Except for the unit operation itself and its connected streams,
all the other objects will be disabled and will not be calculated/updated. To enable this feature, select a
unit operation and click on ‘Single Object Calculation Mode’ toolbar item:

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Figure 46 - Single Object Calculation Mode

3.7. Heatmaps

Add a Heatmap Layer to the flowsheet to have a visual representation of how Temperature,
Pressure, Flow and Compound Concentration changes across the process model.

Figure 47 - Flowsheet Heatmaps

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3.8. Live Flows

The Live Flows feature adds animated arrows to the Material Stream connection lines to enhance
the visualization of the material and energy flowing across the flowsheet. The bigger the arrows, the
higher the flow rate.

Figure 48 - Live Flows

3.9. Material Stream Data Importing Tool

You can use this tool to import Material Stream data from an Excel Spreadsheet to the flowsheet,
including temperature, pressure, mass/molar/volumetric flow and molar/mass composition.

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Figure 49 – Material Stream Data Importer Tool

3.10. Other Features

3.10.1. Find Tear Streams

This feature can be accessed through the flowsheet context menu. Clicking on it will make DWSIM
Pro look for the minimum amount of recycle blocks that needs to be added to the flowsheet so it can be
calculated.

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Figure 50 - Accessing the 'Find Tear Streams' tool

Figure 51 - Flowsheet with recycle blocks automatically added by the 'Find Tear Streams' tool

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3.10.2. Export to PNG Image

Use this feature to export the current Flowsheet viewing area to a PNG image.

Figure 52 - Export Flowsheet to PNG Image

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4. UNIT OPERATIONS

4.1. Three-Phase Reactive Distillation Column

The Three-phase Reactive Distillation Column is an enhanced column model supporting two liquid
phases and reactive mixtures. You can define which stages are reactive and which ones support two liquid
phases. The model supports kinetic and heterogeneous catalytic reactions, defined through the Reactions
Manager.

4.2. PPBDesigner Column: Advanced L-L extraction simulation

PPBDesigner is a highly specific unit-operation to simulate L-L Extraction Columns (LLEC) of

different types (mechanical / packed columns). The model is based on the population balance framework,
which is a novel modeling approach that describes the evolution of a particle or a droplet size distribution
of a dispersed phase (single particles or particles in swarm) in a continuous phase.

The population balance model accounts for different phenomena that occur in LLEC like, the
buoyancy-driven motion of drops, axial dispersion, mass transfer, breakage, and coalescence of droplets.
Therefore, many correlations and input parameters are required by the model to simulate your column
module and provide reliable results.

4.2.1. PPBDesigner Editor

In the current version of PPBDesigner, Agitated columns such as Rotating Disk Contactor (RDC)
and Kühni column are supported.

Depending on the column type of your choice, you need to define different input parameters to
model and simulate a Liquid-Liquid extraction column using PPBDesigner.

By default, PPBDesigner Editor is displayed in a standard mode where important but not necessary
parameters are hidden for a simple simulation environment. The advanced mode shows all input
parameters of the column module. (Advanced mode is recommended when sufficient data is available).

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Figure 53: PPBDesigner Editor

4.2.2. Internal and external Geometry

The internal geometry of the column makes the Population Balance Equation (PBE) specific for
each column type. Therefore, you specify the Internal Column Dimensions of your column module as
shown in figure 33.

Figure 54: Internal column dimensions (Kühni column internals).

You define the column diameter, upper and lower settling zones diameters, which are respectively the
zones above and below the column active height. If your column does not have a settling zone, you define
the diameter of the settling zones as the column diameter.

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Figure 55: External Column Dimensions.

Two options are available to define the External Column Dimensions. You can choose between
the actual number of compartments or numerical Cells method (Figure 35). The number of numerical cells
in Option two is a numerical parameter used internally by the solver to discretize the external coordinate
(column height Z). High number numerical of cells leads to an accurate simulation but results in a high
computational time. You can adjust this parameter for an optimal simulation setting.

Figure 56: External Column Dimensions.

4.2.3. Operating conditions

In the operating conditions Rubric, you define the rotor speed, and you choose which phase is the
dispersed phase. The choice of the dispersed phase may be based on the phase volume ratio for example.

Figure 57: Operating conditions section.

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All other operating conditions are defined in DWSIM-Pro flowsheet environment, in the inlet streams
sidebar (Mass flow, temperature, pressure …).

4.2.4. Mass Transfer

Mass transfer coefficients for the continuous and dispersed phase are selected in the Mass Transfer
Coefficient rubric. The choice of a correlation to estimate the mass transfer coefficient depends on the
behaviour of the single droplet, whether it acts as a rigid, circulating, or oscillating droplet. Important
correlations for both continuous and dispersed phase are respectively classified in Table 1 and Table 2.

You have the option to include or exclude Mass transfer phenomena depending on your simulation
purposes. If mass transfer is included, you define the mass transfer direction of the solute whether is from
the continuous to the dispersed phase or in the opposite direction.

Figure 58: Mass Transfer Coefficient rubric.

Continuous Phase correlations Specifications

Garner and Tayeban Rigid drops, 80 < Re< 800
Kronig and Brink Circulating drops
Treybal Circulating drops- Swarm effect included
Heetjes et al. Transition from spherical to circulating drops
Kumar & Hartland Wide range from stagnant to oscillating drops
Clift et al. Oscillating drops
Table 1: Correlations for mass transfer coefficient calculation for the continuous phase.

Dispersed Phase correlations Specifications

Handlos and Baron Oscillating drops by Considering the creation of
turbulent eddies. Drop diameter range: 2.5-5 mm
Kronig and Brink Considers circulation inside drops due to the buoyancy-
driven motion
Laddha Circulating drops- empirical model derived from the
penetration theory
Pilhofer and Mewes Empirical model- Oscillating drops
Kumar & Hartland Wide range from stagnant to oscillating drops. swarm
effect and energy dissipation included
Slater Correlation includes a contamination factor
Simplified Grober Stagnant drops. Assumptions: 1- No resistance in the
continuous phase. 2- Long contact time
Seibert and Fair Oscillating drops.
Table 2: Correlations for mass transfer coefficient calculation for the dispersed phase.

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4.2.5. Hydrodynamics

Column Hydrodynamics rubric contains correlations for breakage, coalescence, and correlations
for axial dispersion coefficients, Erro! Fonte de referência não encontrada. . To explore the effect of these
mechanisms on your column performance, you have the option whether including or excluding droplet
interaction (breakage and coalescence) and axial dispersion.

Figure 59: Breakage, coalescence, and axial dispersion correlations.

The coalescence rate in the correlation of Coulaloglou & Tavlarides has two adjustable constants
to fit the model parameters to the corresponding experimental hydrodynamics data. The correlation of
Coulaloglou & Tavlarides is the most used in literature and expressed as:

1 1 4
𝜀𝜀 3 2 2 2 𝑪𝑪 𝜂𝜂 𝜌𝜌 𝜀𝜀 𝑑𝑑𝑑𝑑′
′
𝜔𝜔�𝑑𝑑, 𝑑𝑑 , ∅𝑦𝑦 � = �𝑪𝑪𝟏𝟏 (𝑑𝑑 + 𝑑𝑑′ )2 �𝑑𝑑3 + 𝑑𝑑′3 � � × �𝑒𝑒𝑒𝑒𝑒𝑒 �− 2 𝟐𝟐 𝑥𝑥 𝑥𝑥 3 � � � �
1 + ∅𝑦𝑦 𝜎𝜎 (1 + ∅𝑦𝑦 ) 𝑑𝑑 + 𝑑𝑑′

Many experimental works are conducted to estimate the constants C1 and C2, which are
dependent from the chemical system used and the type of the extraction column. Table 3 summarizes the
founded constants values in literature.

Constant value Conditions for determining the

Reference
adjustable constants
𝐶𝐶1 (−) 𝐶𝐶2 (𝑚𝑚 −2 )

1.80 10−2 1.88 1011 RDC, DN-150; Toluene (d)-Water

Simon (2004)
1.41 10−2 1.18 1010 RDC, DN-150; butyl acetate(d)-water

Attarakih et al (2006)
6.94 10−2 1.3 1011 RDC, DN-150; butyl acetate(d)-water
llecmod:

Schmidt et al. (2006) 9.859 10−2 1.646 1011 RDC, DN-150; toluene (d)-water

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RDC; DN-80,100,150; toluene (d)-

Bart et al. (2004) 3.6 10−2 1.00 1012
acetone-water

Jaradat et al. (2012) 3.60 10−2 1.152 1011 RDC; DN-150; butyl acetate(d)-water

Gomes et al. (2006) Kühni column; DN-150; toluene(d)-

2.312 1.62 1012
water

0.79 5.40 1011 Kühni column; DN-32; toluene(d)-water

Steinmetz (2007)
Kühni column; DN-32; butyl acetate(d)-
0.98 1.00 1010
water
Drumm and Bart
0.50 10−2 1.00 1011 RDC; DN-150; toluene(d)-water
(2007)
Kühni; DN-80; toluene(d)-acetone-
Attarakih et al (2012) 0.5 10−2 1.33 1011
water
Attarakih et al.
3.00 10−2 1.83 1013 RDC; DN-80; toluene(d)-acetone-water
(2013)ppblab:
Table 3: Adjustable constants for the correlation of Coulaloglou&Tavlarides.

Hydrodynamics rubric also includes droplet velocity models, Figure 8. You select a correlation to
calculate the terminal velocity and you define the slowing factor model or its value to calculate the relative
velocity. For the continuous phase, you choose a velocity model as well. You have the option between the
oscillatory model or the steady state model (Oscillatory model is used only with dynamic simulation).

Figure 60: Models for droplet and continuous phase velocity.

Single droplet velocity (Terminal velocity) characterises the motion of single droplets in the column
without internal effect. It depends meanly on the drop diameter and the properties of the chemical system
g ∆ρ 𝜂𝜂𝑐𝑐4
(calculation of the inverse of Morton Number 𝑀𝑀𝑀𝑀 = ). Therefore, different models are available for
𝜌𝜌𝑐𝑐2 𝜎𝜎3
the user which are described in Table 4.

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Droplet terminal velocity model Specification

- Rigid drops.
Rigid sphere (Wesselingh&Bollen (1999))
- 𝑀𝑀𝑀𝑀−1 > 1011
- Circulating drops
Vignes Law (1965) - High interfacial tension
- 107 < 𝑀𝑀𝑀𝑀−1 < 1011
- Circulating and Oscillating drops.
Klee and Treybal (1956) - Medium interfacial tension.
- 105 < 𝑀𝑀𝑀𝑀−1 < 107
- Oscillating drops.
Grace Law (1976) - Low interfacial tension.
- 𝑀𝑀𝑀𝑀−1 < 105
Drag coefficient-based Correlation based on drag coefficient
Table 4: Available terminal velocity models in PPBDesigner.

In the inlet droplet size distribution rubric, three options available for the inlet feed distribution
(Normal, Lognormal and Weibull distribution). With the advanced mode, you define the following
parameters: the normalization factor, the population mean diameter, and the population standard
deviation. You specify the minimum and the maximum diameter of your droplet class.

Figure 61: Parameters for the inlet feed distribution.

The number of pivots is a numerical parameter used by the solver to discretize the internal coordinate
(drop diameter). Using high number of pivots results in more accurate results but higher computational
time.

4.2.6. Distribution coefficient (Partition ratio)

In the distribution coefficient rubric, you have three options to define the distribution coefficient
of your chemical system. The first option is to use the UNIQUAC property package to estimate the
interaction parameters to be used for distribution coefficient estimation. As a second option, a correlated
equation of the distribution coefficient as function of the solute concentration is used. The user provides
the distribution coefficient value, as a third option, if available.

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Figure 62: Distribution coefficient- Estimation options.

4.2.7. Solver settings

The solver settings rubric (Erro! Fonte de referência não encontrada. 42) provides a set of
adjustable numerical parameters and different solvers. You can adjust the final simulation time, the solver
time step, and the initiate from previous result option (reduced the computational time). In most cases,
solver settings are kept by default.

Figure 63: Solver settings rubric.

4.2.8. View and export of results

Different tabs are available to view your simulation results. By clicking on results in the
PPBDesigner column sidebar (figure 43), you can see important results, in addition to the holdup and
solute concentration profiles.

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Figure 64: Results Tab in the PPDesigner column sidebar.

By clicking on view column profiles button, more results related to hydrodynamics and mass
transfer in the column (droplet’ diameter, droplet volume distribution, equilibrium concentration…) are
displayed as function of the column height. Charts and tables for these results are generated.

You can export all properties of the studies chemical system and results of the simulation as a text file
by simply clicking on Export Raw Data.

4.3. Pipe Network

4.3.1. Introduction

Pipe networks are structures built to transport fluids between several supply and demand points.
Transmission and distribution of natural gas are examples of services provided by pipeline networks.

In fluid dynamics, pipe network analysis is the analysis of the fluid flow through a hydraulics
network, containing several or many interconnected branches. The aim is to determine the flow rates and
pressure drops in the individual sections of the network. This is a common problem in hydraulic design.

4.3.2. Model Features

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The Pipe Network Unit Operation allows modelling and simulation of pipe networks connected
through nodes with multiple sources and sinks. Rigorous compositional fluid property calculations are
done by DWSIM Property Packages. It has the following features:

- Supports Pipe Segments with Rigorous Heat Transfer calculations, Valves, Pumps, Compressors
and Gas-Liquid Separators.
- Rigorous fluid properties and phase distribution calculated with DWSIM Property Packages
- Fully featured Graphical Network Designer.
- Supports Pressure and Mass/Molar/Volumetric Flow specification on endpoints (Sources and
Sinks).

4.3.3. Usage Help

Create a new simulation or open an existing one. Add a Pipe Network block and connect material
streams to it. Open the Network Designer:

Figure 65 - Pipe Network editor

Drag and drop network objects to the Designer area and connect them to each other. Sources and
Sinks are used to link the inputs and outputs to the connected material streams. Bridges are used to
connect source and sink nodes to the rest of the network.

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Figure 66 - Network Designer

Double-click on an object to define its parameters:

Figure 67 - Network Object editor

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When all parameters are set, close the Network Designer, and request a flowsheet calculation. It
can take a few minutes. If any error appears, go back to the designer, and make the required corrections
before trying again.

Figure 68 - Solving a Pipe Network block

After the network is solved, you can go back to the designer and view the results by block/object.
Inspect the outlet Material Streams to see the network outputs.

Figure 69 - Viewing results from a calculated Pipe Network object

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Figure 70 - Viewing results from a calculated Pipe Network object (2)

4.4. (Semi)Batch Reactor

The (Semi)Batch reactor (referred to as SBR) is a dynamic Unit-Operation in DWSIM Pro for batch
simulation. The reactor works as batch by defining the reactor content, or as semi-batch which enables
feeding the reactor continuously by one (or multiple) reactant.

Figure 71 –(Semi)Batch Reactor model.

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For more information on how to set-up a dynamic simulation, refer to Dynamic modelling and
simulation (section 14: Dynamic simulation structure and configuration) of DWSIM Open-Source User
Guide.

4.4.1. Operation Modes

The SBR supports three operation modes:

Figure 72 –(Semi)Batch Reactor operation settings.

Isothermal operation: The SRB content is perfectly Mixed. During the first few moments of
operation the concentrations of the reactants decrease, the concentrations of the products increase, and
the temperature remains constant.

Adiabatic operation: The SBR is considered well insulated. The temperature of the reactor content
may increase or decrease depending on the nature of the reaction if it is an exothermic or endothermic
reaction.

Advanced operation (Use of Jacket): The SBR is considered non-isothermal and the control of the
temperature’ content requires the use of Batch reactor with jacket to cool-down or heat-up the content
based on the kinetic behavior of a typical reaction. This operation mode requires an advanced design of
the reactor, jacket, and the agitation to estimate the overall heat transfer coefficient.

When the advanced operation mode is selected, the Reactor Configuration Tab in the SBR main window is
enabled. For the isothermal and adiabatic operation modes, the Tab is disabled by default. Note: The
reactor is designed with a dished bottom.

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Reactor Geometry: The Geometry Tab allows for defining design parameters of the SBR (add
screenshot). The parameters are used to calculate Heat transfer area. The following equations are used
depending on the filling level:

For 𝑉𝑉𝑚𝑚𝑚𝑚𝑚𝑚 < V < 𝑉𝑉𝑚𝑚𝑚𝑚𝑚𝑚 :

𝑉𝑉 − 𝑉𝑉𝑚𝑚𝑚𝑚𝑚𝑚
𝐴𝐴 = ∗ (𝐴𝐴𝑚𝑚𝑚𝑚𝑚𝑚 − 𝐴𝐴𝑚𝑚𝑚𝑚𝑚𝑚 ) + 𝐴𝐴𝑚𝑚𝑚𝑚𝑚𝑚
𝑉𝑉𝑚𝑚𝑚𝑚𝑚𝑚 − 𝑉𝑉𝑚𝑚𝑚𝑚𝑚𝑚

For V < 𝑉𝑉𝑚𝑚𝑚𝑚𝑚𝑚 :

𝑉𝑉
𝐴𝐴 = ∗ 𝐴𝐴𝑚𝑚𝑚𝑚𝑚𝑚
𝑉𝑉𝑚𝑚𝑚𝑚𝑚𝑚

Agitator: Agitation is considered for Internal heat transfer calculation inside the SBR. Three types
of agitators are available: Turbine with six flat blades, Impeller with three tilted blades, and Anchor
agitator. The power of the agitator is included in the energy balance equation of the reactor. Note: The
agitation is not considered for the mass transfer calculations in the reactor.

Jacket: The reactor jacket comes with three different types: Simple Unbaffled, Dimple baffled and
Half-pipe coil. Also, different wall materials are provided. The internal cooling/heating is not supported,
but only external Heat exchange.

Figure 73 –(Semi)Batch Reactor Jacket configuration.

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4.4.2. Thermodynamic Calculations

The SBR supports Vapor-Liquid phase equilibrium and the presence of solids in the reactor allowing
different applications and reaction types (Chemical and Bio-Chemical reactions). The liquid phase is by
default defined for the reactor. In the reaction settings, the reactive phases can be changed.

By default, the first property package in the Thermo-package list is selected. It is possible to switch
to another property package if it is in the list of the thermos-package directly from the Operation Tab of
the reactor.

4.4.3. Initial charge

To specify the initial charge of the reactor, use a material stream to define: Temperature, pressure,
and the initial composition. In the operation Tab of the SBR, Load the material stream to the Reactor and
define the initial quantity (Mole, mass, or volume basis).

Figure 74 –(Semi)Batch Reactor initial charge input window.

It is possible to redefine different initials for the reactor temperature and pressure from the
Material steam being loaded. In addition, the reactive volume of the reactor is to be defined. Those
specifications are valid for the three operation modes.

To get the final content of the reactor in a stream, use the copy to stream function by choosing the
appropriate stream you created for this purpose. Units are to be defined in the system of units Tab in the
Settings window for: Time, Volume, and the loading quantity (Mole or Mass basis).

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4.4.4. Kinetic Reaction Set

The kinetic Reaction set is automatically selected based on the definition of the reaction system in
the reaction Tab in the Settings window. The SBR supports parallel reactions or in series mode. The user
can define kinetic rate-base reaction or heterogeneous rate-base reaction.

For more information on how to set-up the reaction rates, refer to Chemical Reactions (2.8 section)
of DWSIM Open-Source User Guide.

4.5. Falling Film Evaporator

A falling film evaporator is an industrial device to concentrate solutions, especially with heat
sensitive components. The evaporator is a special type of heat exchanger. It supports four different
calculation modes:

- Outlet Temperature (1): specify the outlet temperature for the concentration fluid and the heat
load will be calculated. Requires an energy stream connected to the evaporator.
- Outlet Vapor Fraction (2): specify the amount of vapor that will be evaporated, ranging from 0.0
(0% evaporation) to 1.0 (100% evaporation), so the heat load will be calculated. Requires an energy
stream connected to the evaporator.
- Energy Stream (3): The evaporator will read the amount of heat available from the energy stream
and use it to calculate the amount of evaporation. Requires an energy stream connected to the
evaporator.
- Direct Steam (4): Directly connect material streams to the evaporator for the steam utility and use
it to evaporate the liquid. Requires a material stream connected to the “Steam Inlet” port and
another one connected to the “Condensate Outlet” port.

Figure 75 - Falling Film Evaporator Unit Operation – Common Input parameters

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The pressure drop for the liquid stream can be specified for all calculation modes. By defining the
number of calculation steps you will get an evaporation profile that can be used for further sizing
calculations or more detailed analysis.

Figure 76 - Falling Film Evaporator Unit Operation – Evaporation Profile

4.5.1. Details of Calculation Modes 1, 2 and 3

The basic equation for heat transfer is:

𝑄𝑄 = 𝑊𝑊 × (𝐻𝐻𝑜𝑜𝑜𝑜𝑜𝑜 − 𝐻𝐻𝑖𝑖𝑖𝑖 ) × 𝜂𝜂,

where 𝑄𝑄 is the heat transferred, 𝑊𝑊 is the feed mass flow, 𝐻𝐻𝑜𝑜𝑜𝑜𝑜𝑜 is the outlet enthalpy, 𝐻𝐻𝑖𝑖𝑖𝑖 is the inlet
enthalpy and 𝜂𝜂 is the heat transfer efficiency.

The calculation steps subdivide the heat exchanger into segments. For calculation modes 1, 2 and
3, 𝐻𝐻𝑜𝑜𝑜𝑜𝑜𝑜 is calculated for every segment. In modes 1 and 2, the heat exchanger outlet conditions are
defined by either the temperature or vapor fraction, and 𝑄𝑄 can be calculated. For mode 3, 𝑄𝑄 is
provided, and 𝐻𝐻𝑜𝑜𝑜𝑜𝑜𝑜 can be calculated for every segment.

There is an option to define the Tube Wall Temperature, which allows the calculation of some
additional parameters using predefined default values for the Reynolds Number (1000), Tube Internal
Diameter (50 mm), Tube Material (Stainless Steel) and Tube Thickness (2.5 mm):

- Overall Heat Transfer Coefficient, ignoring the contribution from external side (steam side)
- Internal Heat Transfer Coefficient
- Average Film Thickness
- Average Film Velocity
- Temperature Difference

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The above properties are stored and can be seen in the Evaporation Profile.

Figure 77 - Falling Film Evaporator Unit Operation – input parameters for Energy Stream calculation mode

4.5.2. Direct Steam calculation mode details

The Direct Steam calculation modes provides further options to include or calculate the dimensions
of the heat exchanger in the Falling Film Evaporator. There are three calculation types available:

- Evaluation (A): Evaluate a heat exchanger of given design information (Number of Tubes, Tube
Internal Diameter, Tube Thickness, Tube Length and Tube Material).

Figure 78 - Falling Film Evaporator Unit Operation – input parameters for Direct Steam + Evaluation calculation mode

- Design (B): Calculate the Tube Length, Tube Internal Diameter or Number of Tubes based on the
outlet characteristics of the steam.

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Figure 79 - Falling Film Evaporator Unit Operation – input parameters for Direct Steam + Design calculation mode

- Design without sizing (C): Calculate the heat load based on the outlet characteristics of the steam.
This calculation type does not require design information and does not update values for 𝑈𝑈 and 𝐴𝐴,
but does require the definition of the efficiency.

Figure 80 - Falling Film Evaporator Unit Operation – input parameters for Direct Steam + Design without Sizing calculation mode

The calculation step subdivides the tube length into segments for options A and B. For each
segment, the heat balance and corresponding heat exchanger parameters are calculated. The
governing equation is

𝑄𝑄 = 𝑈𝑈 × 𝐴𝐴 × ∆𝑇𝑇,

where 𝑄𝑄 is the heat load, 𝑈𝑈 is the overall heat transfer coefficient, 𝐴𝐴 is the heat exchange area and ∆𝑇𝑇
is the temperature difference. 𝐴𝐴 is calculated from the tube geometrical data and ∆𝑇𝑇 from the

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temperatures of the steam and fluid at the current segment. 𝑈𝑈 is calculated from external convection
(steam), internal convection (fluid) and tube wall conduction using the following equations:

1 1 𝐷𝐷𝑒𝑒 𝐷𝐷𝑒𝑒 𝐷𝐷𝑒𝑒

= + ln + ,
𝑈𝑈 ℎ𝑜𝑜 𝑘𝑘𝑤𝑤 𝐷𝐷𝑖𝑖 𝐷𝐷𝑖𝑖 ℎ𝑖𝑖

where:

ℎ𝑖𝑖 = 62.09 𝑅𝑅𝑅𝑅𝐿𝐿 −0.01239 𝑅𝑅𝑅𝑅𝑉𝑉 0.3427

ℎ𝑜𝑜 = 53200𝑅𝑅𝑅𝑅𝐶𝐶 −0.1418 𝑃𝑃𝑃𝑃𝐶𝐶 −3.1975

Option C calculates properties for each segment similarly to Calculation Modes 1-3, except that we
first calculate the heat exchanged from the specified outlet steam conditions + defined efficiency. After
calculating 𝑄𝑄, the rest of the calculations proceed as if we had an energy stream connected to the FFE,
including the option to consider the tube wall temperature to calculate the additional parameters.

The following Outlet Steam Specifications are available for Option B and C:

- Saturated Liquid
- Subcooled Liquid
- Saturated Vapor
- Overheated Vapor
- Defined Quality (ranging from 0.0 to 1.0)

The subcooled liquid temperature can't be lower than the feed temperature and the overheated
vapor temperature can't be higher than the steam inlet temperature.

Figure 81 - Falling Film Evaporator Unit Operation – Typical Results

4.6. Material/Energy Stream Switch

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The Stream Switch (Material and Energy) Logical Blocks route (redirect) an inlet stream to one of
two outlet streams according to the result of a logical expression entered by the user.

4.7. Material Stream Mapper

This block can be used to transfer information from a Material Stream to another while overriding
some properties in between.

Figure 82 - Material Stream Mapper editor

4.8. Energy Stream Splitter

This block splits an energy stream into two or more streams according to a split factor defined by
the user.

4.9. Thermo Property Editor

This logical block exposes property package model parameters for usage with sensitivity analysis
and flowsheet-wide optimization tools. You can use it to tune binary interaction parameters from the
thermo models using a property of a flowsheet object or a combination of object properties as the
objective function. You can also use it to study the influence of the binary interaction parameters on stream
properties or unit operation performance metrics.

Make sure to connect this block to the first inlet material stream on the flowsheet.

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4.10. Screener

The Screener separates solids with PSDs in the feed into two different streams (tails and fines)
defined by a Cut-Off particle diameter. The separation process is defined by an efficiency factor.

Figure 83 – Screener Unit Operation

Figure 84 – Screener input parameters

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Figure 85 – Screener results

4.11. Cyclone/Hydrocyclone

These blocks separate a solid compound with an associated PSD present in the feed stream from
a gas phase (cyclone) and from a liquid phase (hydrocyclone). The separation process is defined by a given
efficiency.

Figure 86 – Cyclone/Hydrocyclone Unit Operation

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Figure 87 - Cyclone/Hydrocyclone input parameters

Figure 88 – Cyclone/Hydrocyclone separation efficiency curve

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Figure 89 – Cyclone/Hydrocyclone calculation results

Figure 90 – Feed+Products PSD comparison for Cyclone/Hydrocyclone

4.12. Crusher/Grinder

These blocks take the solids with PSDs present in the feed and produce a solid phase with a given
diameter. The product PSD is defined by an efficiency factor.

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Figure 91 – Crusher/Grinder Unit Operations

Figure 92 - Crusher/Grinder input parameters

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Figure 93 - Crusher/Grinder calculation results

5. EXTERNAL MATH SOLVERS

DWSIM Pro includes two additional sets of math solvers (ODE, Non-Linear Optimization and Non-
Linear Systems of Equations) that can be used by some Unit Operation blocks, which are:

- Extreme Optimization Solvers (Exo Solvers)

- SciPy Python Solvers

You can use external solvers with selected Unit Operations, including:

- Plug-Flow Reactor: Exo and SciPy ODE solvers

- Rigorous Distillation Column: Exo and SciPy Non-Linear System of Equations Solvers
- Equilibrium Reactor: Exo and SciPy Non-Linear System of Equations Solvers
- Gibbs Reactor: Exo and SciPy Local and Global Non-Linear Minimization Solvers

Once in the editors for these unit operations, you’ll see a dropdown menu called “External Solver”,
from which you can select the solver to be used:

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Figure 94 - External Solver selection

Besides being more reliable and having better convergence characteristics, the external solvers
can be up to 3,5 times faster than the default open-source solvers, depending on the simulation
characteristics and associated unit operation.

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6. PROPERTY PACKAGES

6.1. Amines

The Amines Property Package is used to model CO2 and H2S capture processes with amines. The
following amine compounds are supported:

- Monoethanolamine (MEA)
- Diethanolamine (DEA)
- Methyl Diethanolamine (MDEA)
- Piperazine (PZ)

The DWSIM Pro implementation is based on a semi-empirical Kent-Eisenberg model (KEM)

modified for estimating high-load equilibria at high-pressure (Humbul Suleman, 2021).

6.1.1. Model Description

Various chemical reactions occur in the alkanolamine solutions to absorb carbon dioxide:

𝑅𝑅𝑅𝑅𝑅𝑅𝐻𝐻2+ ↔ 𝑅𝑅𝑅𝑅𝑅𝑅𝑅𝑅 + 𝐻𝐻 +
𝐻𝐻2 𝑂𝑂 + 𝐶𝐶𝑂𝑂2 ↔ 𝐻𝐻 + + 𝐻𝐻𝐻𝐻𝑂𝑂3−
𝐻𝐻𝐻𝐻𝑂𝑂3− ↔ 𝐻𝐻+ + 𝐶𝐶𝑂𝑂3−2
𝐻𝐻2 𝑂𝑂 ↔ 𝐻𝐻 + + 𝑂𝑂𝐻𝐻 −

For Primary and secondary alkanolamines, another reaction (carbamate reaction) is added to the chemical
system of reactions.

𝑅𝑅𝑅𝑅𝑅𝑅𝑅𝑅𝑅𝑅𝑂𝑂− + 𝐻𝐻2 𝑂𝑂 ↔ 𝑅𝑅𝑅𝑅𝑅𝑅𝑅𝑅 + 𝐻𝐻𝐻𝐻𝑂𝑂3−

Equilibrium and Henry’s constants are estimated based on an equation of the following form:

𝐴𝐴𝑖𝑖
𝐾𝐾𝑖𝑖 = exp � + 𝐵𝐵𝑖𝑖 ln(𝑇𝑇) + 𝐶𝐶𝑖𝑖 𝑇𝑇 + 𝐷𝐷�
𝑇𝑇

6.1.2. Model Applicability Range and Limitations

The model is validated against the corresponding experimental data in the following ranges:

MDEA MEA DEA

Temperature (°C) 30 - 125 30 -120 30-120
Amine concentration (weight%) 5 - 50 5 - 80 10 - 45
Maximum tested CO2 loading (mol
1.56 0.85 1.1
CO2/mol amine)

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6.2. REFPROP

REFPROP is a computer program, distributed through the Standard Reference Data program of
NIST, that provides thermophysical properties of pure fluids and mixtures over a wide range of fluid
conditions including liquid, gas, and supercritical phases.

The REFPROP Property Package allows DWSIM Pro to request and receive thermophysical
properties calculated by REFPROP.

6.3. Enhanced Property Packages

An enhanced/modified version of the Peng-Robinson Property Package is available for oil and gas
industry simulations. It allows you to use a single property package to predict hydrocarbon gas/liquid
properties, water/hydrocarbon mutual solubilities and pure water properties with improved accuracy (
(Whitson, 2013)).

DWSIM Pro also includes faster versions of the most popular property packages:

- Peng-Robinson (1978)
- Soave-Redlich-Kwong
- NRTL
- UNIQUAC
- UNIFAC
- Modified UNIFAC (Dortmund)
- Modified UNIFAC (NIST)

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7. REFERENCES

Access Intelligence, LLC. 2023. The Chemical Engineering Plant Cost Index. Chemical Engineering.
[Online] 05 01, 2023. http://www.chemengonline.com/pci/.
Albright, L. 2008. Albright's Chemical Engineering Handbook. 2008.
Couper, J. R. 2003. Process Engineering Economics. 2003.
Estimating Plant Construction Costs. Pintelon, L and Puyvelde, F. V. 1997. 1997, Chemical
Engineering, pp. 98-104.
Humbul Suleman, Abdulhalim Shah Maulud, Philip Loldrup Fosbøl, Qazi Nasir, Rizwan Nasir,
Muhammad Zubair Shahid, Muhammad Nawaz, Mustafa Abunowara. 2021. A review of semi-
empirical equilibrium models for CO2-alkanolamine-H2O solutions and their mixtures at high
pressure. Journal of Environmental Chemical Engineering. 2021, Vol. 9, 1.
Humphreys, K. K. 2005. Project and Cost Engineers' Handbook. 4th Edition. 2005.
Intratec. 2023. Intratec Plant Construction Indexes . Intratec. [Online] 05 14, 2023.
https://www.intratec.us/products/plant-construction-indexes.
Peters, M, Timmerhaus, K. and West, R. 2004. Plant Design and Economics for Chemical Engineers.
5th Edition. s.l. : McGraw-Hill, 2004.
Towler, Gavin and Sinnott, Ray. Chemical Engineering Design. 2nd Edition.
Updating the CE Plant Cost Index. Vatavuk, W. M. 2002. 2002, Chemical Engineering, pp. 62-70.
Whitson, Curtis H. 2013. Phase Behavior (Henry L. Doherty Series). s.l. : Society of Petroleum
Engineers, 2013.

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