Escolar Documentos
Profissional Documentos
Cultura Documentos
Table of contents
Table of contents
TABLE OF CONTENTS.......................................................................................................................................2
1.
INTRODUCTION .........................................................................................................................................6
1.1.
2.
DISCLAIMER ............................................................................................................................................7
3.
4.
5.
6.
7.
8.
INSTALLATION.......................................................................................................................................11
START UP ..............................................................................................................................................12
LICENSE REQUEST .................................................................................................................................12
8.6.2.
8.6.2.1.
8.6.2.2.
8.6.2.3.
8.6.3.
8.6.3.1.
8.6.3.2.
8.7.
8.8.
9.
Table of contents
Input ........................................................................................................................................................40
Properties ........................................................................................................................................41
WINDOW ...............................................................................................................................................42
HELP .....................................................................................................................................................43
10.
10.1.
10.2.
10.3.
10.4.
10.5.
10.6.
10.7.
11.
ICONS ....................................................................................................................................................44
DATABASE ............................................................................................................................................44
SOLVENTS LIST ......................................................................................................................................45
SOLVENT SELECTION .............................................................................................................................45
CALCULATION INPUT SECTION IN PROPERTY CALCULATION MODE ............................46
SOLVENT FRACTIONS TABLE .................................................................................................................47
EVAPORATION CONDITIONS ..................................................................................................................47
FORMULATION PROPERTIES ...................................................................................................................48
WATER UPTAKE ....................................................................................................................................48
APPLICATION.........................................................................................................................................48
EXPOSURE MODEL .................................................................................................................................49
BLEND NAME, PRICE SET AND CALCULATE ...........................................................................................49
DESCRIPTION OF PROPERTIES AND CALCULATION MODELS ...........................................50
11.32.
11.33.
11.34.
11.35.
11.36.
11.37.
11.38.
12.
12.1.
12.2.
12.3.
12.4.
12.5.
13.
13.1.
13.2.
13.3.
13.4.
13.5.
13.6.
13.7.
13.8.
Table of contents
REFORMULATION MODE.................................................................................................................63
BLEND NAME, PRICE SET AND REFORMULATE ......................................................................................63
SOLVENT FRACTIONS ............................................................................................................................64
EVAPORATION CONDITIONS ..................................................................................................................64
FORMULATION PROPERTIES ...................................................................................................................64
REFORMULATION CONSTRAINTS TABLE ................................................................................................65
PROPERTIES OUTPUT SECTION.....................................................................................................66
DATA TABLE .........................................................................................................................................66
EVAPORATION GRAPH ...........................................................................................................................67
SOLVENT BALANCE GRAPH ...................................................................................................................67
SOLUBILITY MAPS .................................................................................................................................68
SOLIDS GRAPH .......................................................................................................................................69
WATER UPTAKE GRAPH .........................................................................................................................70
EXPOSURE MODEL GRAPH .....................................................................................................................71
IMPACT OF THE SPRAY MODEL ..............................................................................................................71
14.
REFERENCES........................................................................................................................................73
15.
INDEX .....................................................................................................................................................75
Table of contents
1. Introduction
1.
Introduction
1.1.
1. Introduction
Disclaimer
BlendPro 5.0 is used at the sole risk of Customer and is made available to subject to terms of the
separate licence agreement between Shell International Chemicals B.V. and Customer.
The data output from BlendPro 5.0 is for guidance only and should not be used in substitution of
independent calculations and/or experiments, carried out by Customer. Customer is responsible for
verifying the accuracy or validity of BlendPro 5.0 data output.
Calculated blend properties are merely best estimates of actual experimental values, since the results
depend both on mathematical models and basic data. Data output should be used as a guideline only.
This is especially true for safety-related properties such as flash points, concentration profiles which
are calculated using the exposure model and the calculated VOC and HAP contents of both blends
and formulations.
Without limiting the foregoing, Customer must not include BlendPro data output in safety data sheets
or use in respect of any calculation or document required for HSE purposes.
2.
3. Program limitations
This User Manual has been written in chronological order to guide new users through the program, i.e.
installing BlendPro, starting BlendPro, using FILES and HELP. After a description of the program
structure short procedures are given for performing the main calculations and taking advantage of the
programs functionality. The detailed index will enable you to find specific information on the various
applications, functions and options of BlendPro 5.0.
Example
Menu options
File New
BlendPro Files
BlendDoc.bpr
Important
3.
3. Program limitations
Program limitations
Users of BlendPro 5.0 should be aware of the purpose of the program and of its inherent limitations.
Calculated blend properties are merely best estimates of actual experimental values, since the results
depend both on mathematical models and basic data. Calculated results should therefore be used as
guidelines, to define the minimum number of experiments needed to arrive at valid results. This is
especially true for safety-related properties such as flash points, concentration profiles which are
calculated using the exposure model and the calculated VOC and HAP contents of both blends and
formulations.
CA.01.20618
4.
4. New Features
New features
BlendPro 5.0 offers many improvements over the previous version. Most of these improvements were
implemented after feedback from our customers. Below is a summary of the upgraded and new
features:
BlendPro 5.0 can be used with Windows 95, Windows 98, Windows ME, Windows NT, Windows
2000, Windows XP, and MS Vista.
Reformulation on flash point
Reformulation on ozone reactivity of Solvents
Temperature-dependent evaporation calculation
Spray evaporation characteristics
Reformulation on 90% evaporation time (in addition to reformulation on the single-step evaporation
time)
Temperature-dependent reformulation
Calculation of the solvent and solvent blend vapour pressure at different temperatures
Calculation of VOC content according to the EU VOC directive
Calculation of Reactivity Adjusted VOC (RAVOC) content according to the American Chemistry
Council
Calculation of HAP and VOC content according to EPA regulations
Reformulation using water
Solvent vapour exposure model
Open database structure
Simple blend handling (cut, copy, paste) within files and to/from other files
User-defined solvent and resin names
Reformulation on HAP and VOC content of blends and formulations
Addition of 30 solvents to the solvent database
Availability of over 60 solubility maps
Solvent property data is available during solvent selection
Ability to sort solvents by their properties
Easy comparison of blend properties of multiple blends
Portability of calculation results to other applications
10
5.
5. Getting Started
Getting started
5.1. Installation
To install and run BlendPro the following minimum hardware and software requirements are needed:
Windows 95, Windows 98, Windows ME, Windows NT, Windows 2000, Windows XP or MS Vista
PC with 486 processor or higher (or the minimum advised hardware configuration for the Windows
platform used)
BlendPro installation files
However, to make maximum use of the features provided with the program, the following system
requirements are recommended:
Processor:
Pentium 100 MHz or higher
Memory:
32 MB RAM
Disc space required:
At least 20 MB for installation
Monitor/Video card:
True colour palette
Screen resolution:
1024x768 pixels.
The BlendPro installation procedure will guide you through the process of installing the software on
your PC. The installation procedure is started by running Setup.exe on the CD-ROM. The required
components will then be installed on your PC in the specified directory.
During installation you are requested to choose a region:
1.
2.
3.
Upon selecting a region, automatically the relevant regional properties will be enabled in the program
(for instance either VOC EU or VOC EPA will be enabled depending on your choice).
In addition the preferred units of measure set needs to be chosen (cgs, USA or SI).
Please note that the enabled properties and the preferred units of measures can be changed/modified
after installation as well. Any previously installed BlendPro 5.0 user databases (solvents, resins and
prices) will not be overwritten by the installation procedure.
A program shortcut will be created in the Start/Programs menu of Windows, as well as a shortcut on
your desktop.
NOTE: BlendPro 5.0 is a protected application and makes use of a PC specific password, also called
access verification code. After installation of the software the program is not immediately ready for
use.
Two additional steps are required to run BlendPro 5.0:
1. Request a license file (see section 5.3)
2. Install the received license file. (The time-limited license is valid for the period as agreed upon in
the License agreement document, see section 5.3).
The program will only run on the PC on which it was originally installed and for which a fingerprint
and password (license file) have been generated. The application can be moved/copied to another PC
but it will not run unless a new license file has been requested from Shell and which has been installed
on the new PC.
11
5. Getting Started
5.2. Start Up
Once software has been installed, BlendPro can be started in three different ways:
By double-clicking the shortcut icon on your desktop
By clicking the shortcut item in your Start/Programs menu
By activating the BlendPro.exe program in the BlendPro folder
The application will start and the BlendPro main windows will be shown. Although the various screens
of BlendPro can be viewed, some features of BlendPro, i.e. the calculation- and reformulation tools
cannot be accessed yet. To activate these tools an electronic license need to be installed first. Section
5.3 describes how to request and install this license.
12
6.
After start up the main screen (Figure1) displays the functionality needed to operate the program.
Each blend or set of solvents used in a reformulation exercise has its own blend tab, which is
indicated at the bottom of the screen. A yellow tab indicates a blend in the property calculation mode,
a blue tab indicates a blend in the reformulation mode. The tab that is in bold is the current tab, an
indication used for multiple-blend calculations (see section 8.5). When there is a multiple blend
selection, all of the input parameters on the screen are of the current blend tab. The blend tabs can be
copied and moved, also to other BlendPro files.
The main screen is divided into two parts, by a horizontal splitter that can be moved up and down to
enlarge either of the two parts. The upper part of the screen displays the available solvents, as well as
the output. The output is presented numerically and graphically. The lower part of the screen displays
the input section for the calculation. The blend can be defined in the fraction table on the left.
Evaporation and formulation parameters are entered in the middle, where the blend name can be set,
price sets can be selected and the switch between the calculation and reformulation mode is located.
In the section on the right the water uptake can be set together with the type of application and the
settings for the exposure model calculation.
13
14
15
7.
In the sections below a short description of the main calculations and features is given. More details
on the models, their various properties and features can be found in the chapters that follow.
16
Select solvents
The solvents for the blend can be selected by clicking a solvent in the Available Solvents table (upper
. The selected solvent is
part of the screen) and pressing the down-arrow button in the toolbar
then added to the Solvent Fractions table on the left of the lower part of the screen. Using the Shiftkey or CTRL-key you can select more than one solvent before the down-arrow button is pressed.
Should you need to remove a solvent from the blend use, the up-arrow button
after selecting the
solvent(s) to be removed in the Solvent Fraction table. See also section 8.5 and 9.3.
17
Print result
With File Print you can print the input and output data. Also a selection of the data can be
made. See also section 8.1.
18
19
Print result
With File
Print the input and output data can be printed. See also section 8.1
7.4. How to... reformulate using a constraint on VOC or HAP content of a
formulation?
Both the VOC (EU and EPA) and HAP content of a formulation can be used as a reformulation
constraint. The same reformulation procedure described above is advised. However reformulation
using this property is different from the reformulation using other constraints. This is because the
formulation density (which is needed for the VOC or HAP content calculation) changes as the solvent
blend changes. For this reason, a new estimated formulation density is calculated for the suggested
blend, which can be used for comparison after the reformulation. This property is added to the data
table located in the upper part of the screen. Note that the estimated formulation density replaces the
viscosity property in the table. For this reason, before reformulating by using a constraint on the VOC
or HAP content of a formulation, make sure the viscosity is switched to visible in Menu Tools
Options
Properties.
20
7.5. How to... compare the results of more than one calculation ?
For comparison of the results of more than one blend, the multiple-blend option can be used. By
calculating more than one blend tab at the same time the results are integrated on one screen to allow
for easy comparison.
21
Evaporation plot
In this plot the evaporation is displayed for all selected blends that are in the same evaporation mode
as the current blend tab.
Solubility Maps
In this plot the change in solvency power of all selected blends during evaporation are shown. In one
figure together with the resin solubility map of the selected resin,.
22
Solids plot
In this plot the change in solids content during evaporation is displayed for all selected blends.
23
Add a solvent
By selecting Solvent Add in the menu you can add solvents to the database. An empty line will be
inserted with the user icon indicating that this solvent has been added by the user. The solvent
properties can now be entered in the empty fields. The composition of the solvent in terms of UNIFAC
groups (see also section 8.6.1.4) can be entered in the table to the right of the database window. To
enter the UNIFAC data of a solvent, first select the entire row of that solvent by clicking on the first
grey cell of that row. The blue cells of the UNIFAC table will become white. Note that, although it is
possible to use one group type twice or more in the same molecule description this will lead to
erroneous results. By clicking File Save and Exit or the cross at the top right of the database
window, you actually add the new solvent to the database and close the Solvent Database window.
Only when all compulsory fields have been entered, the database will close and a warning message
will appear if they have not been completed. After this all empty fields that need a value will become
red. If File Cancel is selected the database window is closed without saving the changes. When
the changes in the database have been saved, the Available Solvents table will be automatically
updated. Please note that when the user name option is off (see also section 8.6.3.1) no entry will be
required for the user name field. Additionally, if the user name option is switched on afterwards, empty
user name fields will appear red in the Available Solvents table (see also Chapter 9).
24
By selecting Price set Add in the menu you can add price sets to the database.
A price set database is created after you have selected a name for it. A column will be added after the
last column. The price set name can be edited by clicking the column header and entering the name of
the set. The currency of the set can be edited by clicking the cell below the price set name. The prices
of the individual solvents are entered in the fields in the column. Note that the prices can either be per
unit weight or per unit volume, depending on the setting in the user interface options (see section
8.6.3.1). This is indicated in the status bar in the database. In the main screen this is indicated in front
of the selected price set name, above the Calculate button. Note that both the price per unit weight as
well as the price per unit volume is calculated regardless of the setting of the price unit switch. By
clicking File Save and Exit or the cross at the top right of the database window, you save the
changes made to the database and close the Solvent Database window. If File Cancel is selected,
the database window is closed without saving the changes. When the changes in the database have
been saved, the Available Solvents table will be automatically updated.
25
used for viewing and editing the contents of the database. For more information on Solvent Database
handling, see section 8.6.1.
Modify the User name or HAP/VOC content of a solvent
In order to change the user name or the HAP or VOC content of a solvent you will need to click on the
appropriate white (editable) cells in the solvent database and type the new name or value.
By clicking File Save and Exit or the cross at the top right of the database window, you save the
changes made to the database and close the Solvent Database window. If File Cancel is selected
the database window is closed without saving the changes. When the changes in the database have
been saved, the Available Solvents table will be automatically updated.(see section 8.6.1.5)
Add a resin
By selecting Resin Add in the menu you can add solubility map data to the database.
A row will be added with a user icon. The resin properties can now be entered in the empty fields. In
the table on the right side of the window the data for the true and non-solvency lines can be added
(see also section 13.4). By clicking File Save and Exit or the cross at the top right of the database
window, you save the changes made to the database and close the resin database window. When
compulsory data has not been entered these fields will be indicated in red and the database will not
close. If File Cancel is selected, the database window is closed without saving the changes. The
table next to the Solubility Map plot will be updated accordingly.
26
8.
Besides the more standard Windows options, File, Edit, View, Window and Help, this menu also
contains BlendPro specific options: Blends, Solvents and Tools.
The Blends option can be used to cut/copy/paste complete blends and the Solvents option can be
used to add or remove solvents to/from a blend. Finally the Tools option is used for user interface
settings and database access.
All the menu options are described in detail in the following paragraphs.
8.1. File
The File option has the following sub-options:
File New
Ctrl-N
This option is used for creating a new BlendPro file. A BlendPro file can contain data of several
individual blends. The new file will be called BlendDoc.bpr and can also be activated by clicking the
New File button on the toolbar
27
File Open
Ctrl-O
This option is used to open previously saved BlendPro files. An existing filename.bpr document is
opened into BlendPro. (Note that BlendPro 4.0 documents are not compatible with BlendPro 5.0.) This
option can also be activated by clicking the File Open button on the toolbar
File Save
Ctrl-S
This command saves an opened document using the same file name. This saves all the blend data to
the filename.bpr document. If the document has not been saved previously (BlendDoc.bpr) file, the
Save As dialogue is displayed, where a name and location for the new document can be specified.
This option can also be activated by clicking the Save File button on the toolbar
File Save As
Ctrl-A
This command saves an opened document to a specified file name and location.
File Print
Ctrl-P
This command prints a document. This option is used for printing the blend input and output data.
Both, the input data, output tables and output graphs can be printed. A print dialogue will be displayed
to select the data and print options.
The main print dialogue can be accessed via Menu
File
Print or the Print button on the toolbar
28
and can be used for printing the data for each selected blend.
The All option will print all the items listed under Selection. The Selection option allows you to make a
print selection e.g. only the Data table or the Solubility Maps plot.
Each printout is preceded by the main blend data and evaporation conditions. As is shown in
Figure 11 you can select OK in the main print dialogue to continue printing or Cancel to cancel the
printing. If OK is chosen, the standard Windows print dialogue is shown for further print handling.
29
File Exit
This is the exit command for the BlendPro program. If there are any unsaved changes, a warning
dialogue pops up and you are asked whether you want to save any changes. When the program
closes the calculated data and all user settings (e.g. units of measure, visibility of properties) are
stored.
8.2. Edit
The Edit menu option offers the standard Windows options to cut or copy and paste text to and from
the clipboard. The options Cut, Copy and Paste are standard Windows options, which enables
you to manipulate text segments. For instance, lines from tables can be copied or cut into documents
in other applications. Furthermore, these commands can be used to copy graphs and data from tables
to other applications after selecting the graph by clicking on it. These commands can also be activated
by clicking the corresponding buttons on the toolbar
8.3. View
8.4. Blends
Besides the New and Delete options, the other standard edit options Cut, Copy and Paste are
also available for the blends.
30
Blends New
This option is used to create a new blend-tab in the current BlendPro file. Blend tabs can be deleted
and copied using the other Blend menu options.
Blends Delete
The selected blend tab will be deleted from the current blend document.
8.5. Solvents
Solvents has two sub-options called Add solvent to blend and Remove solvent from blend. Note
that both options cannot be enabled at the same time. When a solvent in the Available Solvents table
is selected the Add solvent to blend option will be enabled. When a solvent in the Solvent Fractions
table is selected the Remove solvent from blend option is enabled.
31
8.6. Tools
32
File Print
This option prints the complete Solvent Database. In order to print a selection of one or more solvents
from the database, please select those solvents and use the Edit Cut/Copy options to copy the
selection to the clipboard. The content of the clipboard can then be imported into another windows
application and printed.
33
File Cancel
This command closes the database window without saving changes made to the database.
Solvent Add
By selecting Solvent Add in the menu, you can add solvents to the database. An empty line will
be inserted with the user icon indicating that this solvent is added by you. The solvent properties can
now be entered in the empty fields. By clicking File Save and Exit or the cross at the top right of
the database window, you actually add the new solvent to the database and close the Solvent
database window. When not all of the compulsory fields have been entered, the database will not
close and a warning message will appear. All empty fields that require a value will become red. If File
Cancel is selected the database window is closed without saving the changes. The Available
Solvents table will be updated automatically.
Solvent Delete
A solvent row first needs to be selected before it can be deleted. Note that only user solvents can be
deleted. By selecting Solvent Delete in the menu you can delete solvents from the database. By
clicking File Save and Exit or the cross at the top right of the database window, you actually delete
the solvent(s) from the database and close the solvent database window. If File Cancel is selected
the database window is closed without saving the changes. The Available solvents table will be
updated automatically.
34
database window. If File Cancel is selected, the database window is closed without saving the
changes. The Available Solvents table will be automatically updated.
Ctrl+A
The about dialogue contains the name and version number of the program and the copyright owners.
8.6.1.2. Properties
The Solvent database window shows all the available solvents in the databases. These can either be
solvents in the Shell database or user solvents, as indicated by the icon in the column on the left.
Solvents in the Shell database which are current Shell products are indicated with the name Shell in
red. The data columns show the properties of the solvents. These properties are presented in
APPENDIX 2, together with the different units and conversion factors. Data on solvent prices are not
included in the database, as they generally depend on the market situation. Prices can be added to
the database by creating a new price set, which can subsequently be filled with prices. The user can
Options the unit (price per weight or
name the price set and define the currency used. In Tools
volume) can be set. Note that as this option is changed the prices in the database are automatically
changed on the basis of the density of the solvent. This is indicated in the status bar in the database
window. In the main screen this is indicated in front of the price set in the middle of the screen.
8.6.1.3. The database table
Scrolling horizontally through the table you will notice that the columns left of the thick vertical line
(solvent and category) are fixed. You can scroll through the parameter columns using the horizontal
scrollbar or by clicking on a cell and dragging the mouse.
The header of the table consists of 3 rows. The first row contains the column name, the second row
contains the unit and the third row contains the sorting indicator. Clicking the first row selects the
column, clicking the second row has no effect and clicking the third row changes the sorting criteria of
the solvents. Note that a combined sort can be done by clicking the sort indicators of a fixed column
(on the left of the thick vertical line) and a properties column. A selection of one or more rows can be
made for printing by using the Ctrl-key and Shift-key.
35
Ctrl+R
In the Resin Database window property data of the individual resins are displayed and data for user
resins can be entered and edited. These properties are the resin name, type of resin, solids content at
which the map has been constructed and additional information.
36
The Resin Database window shows all the available resins in the database. User resins or elastomers
are indicated by the icon in the column on the left.
A special table with resin map data is displayed on the right side of the window. This table presents
data for the selected resin or elastomer. This data can be made visible by clicking the first cell of a
particular resin. The first two columns in this table show the HSP and HBI True solvent data, which
are the co-ordinates of the line indicating the border between the true solvent area and the transition
area. The other columns show the Non solvent data, which are the co-ordinates of the line indicating
the border between the non-solvent area and the transition area. Information on the resins in the
BlendPro database is given in APPENDIX 3.
8.6.2.1. Resin Database Menu
File Print
This option prints the complete Resin Database. In order to print a selection of one or more resins
from the database, please select those resins and use the Edit Cut/Copy options to copy the
selection to the clipboard. The content of the clipboard can then be imported into another windows
application and printed.
File Cancel
This option closes the database window without saving changes made to the database.
37
Resin Add
By clicking this option you will add a row. The resin properties can now be entered in the empty fields.
By clicking File Save and Exit or the cross at the top right of the database window, you save the
changes made to the database and close the Resin Database window. If no data has been entered in
the compulsory fields, those fields will be indicated in red and the database will not close. If File
Cancel is selected the database window is closed without saving the changes. When the changes
have been saved, the Solubility Map selection table will be updated accordingly.
Resin Delete
The resin to be deleted from the database has to be selected from the list. Note that only resins or
elastomers with a user-icon can be deleted. By selecting Resin Delete in the menu you can delete
solubility map data from the database. The BlendPro resins cannot be deleted. By clicking File
Save and Exit or the cross at the top right of the database window, you save the changes made to the
database and close the Resin Database window. If File Cancel is selected, the database window is
closed without saving the changes. When the changes have been saved, the table next to the
Solubility Map plot will be updated accordingly.
Ctrl+A
The about dialogue contains the name and version number of the program and the copyright owners
8.6.2.2. The database
Scrolling horizontally through the table you will notice that the columns left of the thick vertical line are
fixed. You can scroll through the parameter columns using the horizontal scrollbar or by clicking on a
cell and dragging the mouse. Note that a combined sort can be done by clicking the sort indicators of
a fixed column (on the left of the thick vertical line) and a properties column. A selection of one or
more rows can be made for printing by using the Ctrl-key and Shift-key.
38
The header of the table consists of 3 rows. The first row contains the column name, the second row
contains the unit and the third row contains the sorting indicator. Clicking the first row selects the
column, clicking the second row has no effect and clicking the third row changes the sorting criteria of
the resins.
8.6.2.3. Modifying the database
The user can modify the fields of the user resins in the database. User-editable fields have a white
background. Read-only fields have a blue background.
By editing a user-editable field you can modify the resin parameters. By selecting File
Save and
Exit you save changes made to the database and the database window is closed. By selecting File
Cancel, you close the database window without saving the changes. Before data is saved, a check
on completeness of the data is done. Mandatory input fields for which no input has been entered are
displayed in red.
Tools Options
Ctrl+O
The Options screen is used to modify the BlendPro Options in such a way that it meets your
requirements. The individual settings are described below.
39
The Options dialogue, which is implemented using tab-controls, has four additional buttons.
OK
Cancel
Apply
Help
Solvent identification The options to choose from are Shell Name or Shell Name
and User Name. Only one of these options can be selected. The default selection is Shell
Name. Changing the option will have an effect on the columns on the Available Solvents
table and the Solvent Database dialogue: the user name may be added as a column. In the
Fractions table and the Constraints table (reformulation) only the user names will be
40
displayed. This option allows you to indicate solvents by means of a specific name or code
during operation of the program. By default the user names are the same as the BlendPro
names and can be changed in the Solvent Database when the user name option is
switched on. Note that when the user name option is off (see also section 9.6.3.1) and a
solvent is added to the database, no entry will be required for the user name field.
Additionally, if the user name option is switched on afterwards, empty user name fields will
appear red in the Available Solvents table (see also Chapter 10).
Resin identification The following options are available: Resin Name or Resin
Name & User Name. Only one of these options can be selected. The default selection is
Resin Name. Changing this will have an effect on the columns of Resins Database
dialogue and of the Resin Selection table: The user name may be added as a column. This
option allows you to indicate resins by means of a specific name or code during operation
of the program. By default the user names are the same as the BlendPro names and can
be changed in the resin database when the user names option is switched on.
Units The values to choose from are: SI, cgs and USA. These values are selected from a
list box. The settings will have an effect on all the input and output data shown in the user
interface. For all properties the units and conversion factors are given in APPENDIX 2.
Price unit The price unit can be selected as either price per unit weight or volume. This
will have an effect on the prices displayed in the Solvent Database dialogue and the
Available Solvents table. The price unit is indicated in front of the selected price set in the
middle of the main screen. In the database window this is indicated in the status bar. Note
that when this option is changed, the prices in the database are automatically changed on
the basis of the density of the solvent. This will also change the values displayed in the
Available Solvents table. In the output table, however, both the price per weight as well as
the price per volume can be made visible.
8.6.3.2. Properties
41
The settings on this Properties tab change the visibility of the properties and also the order in which
they are displayed in the Output and Constraints table. The visibility of each property can be toggled.
The order in which the properties are shown can be changed by selecting a row and dragging it to the
desired position.
8.7. Window
This option allows you three ways of aligning the windows. At the bottom you can see a list of the
BlendDoc.bpr files, which are open. The document you are working on is marked with a .
42
8.8. Help
Ctrl+A
The about dialogue contains the name and version number of the program and the copyright owners.
43
9.
9.1. Icons
In the left column two kinds of indications may appear: The name Shell in red or an user icon. The
name Shell indicates that the product is a current Shell product. Note that not all products indicated,
as a Shell product will be available in all markets/regions. For further information on product
availability, please contact your local Shell Company.
9.2. Database
The second column contains the name of the BlendPro database in which the solvent is placed. The
name of the database can be used as a rough indication of where the product may be purchased.
Abbreviations used: EU = Europe; AP = Asian Pacific, NA= North America (US and Canada); SA =
South America; AF = Africa.
For further, actual, information on product availability, please contact your local Shell Company.
Apart from the regional databases which indicates where the product might be purchased, three
additional databases exist which are named: Old, Renamed and Other, respectively.
The Old database contains data of old Shell products, which are no longer marketed by Shell. This
data is still very valuable in case you want to reformulate an existing formulation, which contains
the old products.
44
The Renamed database contains the data of Shell products which have been renamed. These
products are still available from Shell, but under a new name. The new name is indicated between
brackets after the old name.
The Other database contains data of solvents which are not marketed by shell or which are
marketed by Shell but under a different trade name. In the latter case, the Shell trade name of that
product is added between brackets and name Shell will be present in the first cell.
well, using the selection mechanism in the top row, as is indicated in the figure
below.
Property
Properties list
By clicking-and-dragging the borders of the columns you can adjust the column width.
45
10.
The definition of the blend and the evaporation conditions is done in the input section on the display,
which contains the following areas when BlendPro is in the properties calculation mode:
Solvent Fractions
Evaporation Conditions
Formulation Properties
Water Uptake
Application
Exposure Model
Blend Tabs
Blend name, Price set and Calculate/Reformulate
The picture below shows the blend section in the properties calculation mode. It has a different
appearance in the reformulation mode, which will be shown in the next chapter.
Evaporation
Conditions
Solvent
Fractions
Calculate/
Reformulate
Water Uptake
Exposure
Blend Tabs
Formulation
properties
Application
46
On each blend tab the selection of the fraction type is saved. In the data table the output is always
displayed in the fraction type that was last used in a calculation. All graphs are presented in weight
units. If the total of the percentages (or fractions in case of SI units) does not add up to 100, BlendPro
interprets the numbers as ratios and will calculate the exact composition upon calculation.
Conditions:
Temperature
Humidity
The asterisk, *, indicates that this temperature has an influence on several temperature-dependent
blend properties. These output properties are also marked by * in both the output data table as well
as in the Reformulation Constraints table.
The value entered for humidity is the relative humidity of the surrounding air. If this value is larger than
zero, a certain amount of water may be taken up by the solvent blend during its evaporation and this
will affect the blends properties (e.g. evaporation time, balance). It will also affect the spray
evaporation rate of water, if present in the blend. Furthermore it is assumed that no water uptake by
the blend can take place during spray.
The value entered for the temperature is the ambient air temperature, which will influence the
evaporation behaviour of the blend and its vapour pressure. Note that it does not influence the
evaporation during spray (the spray temperature can be entered in the application section, see below)
nor the Exposure Model (calculated at 25C).
47
The value entered for Solids Content influences the VOC and HAP content of a formulation, the
evaporation during spray and the Exposure Model (see the calculation model descriptions in section
11.32 and 11.33).
The formulation density influences the VOC and HAP content of formulations, the evaporation during
spray and the Exposure Model.
Neither the formulation density nor the solids content influence the calculation of any other property of
the solvent blend.
10.5. Application
In the Application area you can specify whether the blend properties are calculated for a brush or
spray application.
48
When the spray application method is selected, the Exposure Model can no longer be used and will be
disabled. The spray option can only be used in the properties calculation mode, not during a
reformulation. A description of the Spray Evaporation Model is given in section 11.32.
Note that the Exposure Model can only be used in the properties calculation mode, not during a
reformulation. A description of the model is given in section 11.33.
You can give the blend any name by typing it in the Blend Name area. The Price set to be used in the
calculation can be selected from a drop-down list. All available Price sets are displayed in this list.
Price sets can be edited, added and deleted in Tools Database Solvents. Whether the prices
are per weight or volume for the selected Price set is indicated between brackets in front of the Price
set name. If all options are set, you can run the calculations by clicking the Calculate button. The
calculation is performed for the selected blend tabs. When more than one blend tab is selected a
multiple-blend calculation is performed (see Chapter 7).
49
11.
Below the properties as calculated by BlendPro are described and information on the calculation
models is given. A table of all properties and their different units and conversions is given in
APPENDIX 2. The visibility of all properties can be set in Tools
Options
Properties.
HSP =
Where
EV
Equation 1
VM
EV
= energy of vaporisation
VM
= Molar volume
Hildebrands solubility parameter value can be used in calculations to predict a liquids performance as
a solvent. Solvents with similar solubility parameters have similar solvent power. This theory can be
extended to organic liquid and polymer combinations. The higher the Hildebrand solubility parameter,
the higher the solvent power.
Hildebrands concept of the solubility parameter was developed for hydrocarbon solvents, where
dispersion forces are the major intermolecular forces. However, for the more powerful oxygenated
solvents such as alcohols, ketones, esters and glycol ethers, polar forces and hydrogen bonding play
a much more important role.
3,4
Consequently the Hildebrand system was further developed by Crowley, Teague and Lowe who
introduced two additional parameters to accommodate these other vital interactive forces.
Subsequently several three parameter systems have been developed, but the two most widely used
are the Nelson, Hemwall and Edwards system5,6 and the Hansen system. Shell companies use the
Nelson, Hemwall and Edwards system, which originated within Shell Research, because it gives a
better representation of both (i) the fundamentals underlying molecular interactions and (ii) the
practical situation of mixing solvents.
50
constants like the dielectric constant. Calculation of this parameter for a blend is based on the volume
fractions of the components.
log = Vi log i
Equation 2
Where
Vi
When 50% or more water is present in the blend and the blend contains water miscible solvents the
aqueous viscosity is calculated using a different model, that is based on measured values and
relations.
The viscosity of a solvent has a significant effect upon the viscosity of the formulation or blend in
which that solvent is used. The viscosity of a paint formulation will influence ease of handling, flow,
shelf life, suitability for spraying and the general appearance of the finished coating.
Note that for blends containing more than 30% alcohols, the calculated viscosity may be less reliable.
11.3. Density
The density of the calculated solvent blend is calculated from the volume fractions and the densities of
the individual components. This property describes the mass per unit volume at 25C. It is an intrinsic
property of all matter. Sometimes the specific gravity is quoted, i.e. is the ratio of the density of the
substance to that of water at the stated temperature. At 4C, density is numerically equal to specific
gravity.
11.4. Cost/volume
The price or cost of the blend/volume needs to be added to the database by the user. This can be
done in various price sets, which can be selected in the middle of the main screen. Generation of new
price sets and editing of prices is carried out in Tools
Database
Solvents. See also section 8.6.1.
The user can indicate if the prices entered in the database are per weight or volume. This is done in
Tools
Options
Input. Both properties are calculated however. The price unit is indicated in front of
the price set name in the main screen. In the Solvent Database this indication is given in the status
bar.
51
11.5. Cost/weight
Price or cost of the blend/weight. See also 11.4.
52
searches for the temperature at which the sum of the partial pressures of the components divided by
10
their lower flammability limits equals 1 . When the Antoine constants are not in the database for one
of the solvents the calculation of the flash point is not possible. This will be indicated with not calc.
The presence of Antoine constants in the database is indicated in the database using the parameter
flash point flag. (See also section 8.6.1.5).
Note that the flash point values calculated by BlendPro, although accurate, can only be used
as an indication and should always be measured in practice.
11.10.
Evaporation temperature
The evaporation temperature is the temperature at which the blend evaporates due to evaporative
9
cooling in the brush application mode. This calculation is temperature-dependent.
11.11.
The spray evaporation temperature is the wet-bulb temperature, or evaporation temperature of the
blend due to evaporative cooling during spray evaporation. This calculation is temperature-dependent.
11.12.
Solid content
This is the solid content in the formulation at the start (user input) and also during evaporation. This
parameter is also presented in a graph as a function of the weight evaporated (see section 13.5). The
change in solid content of the formulation is calculated using the amount of solvent evaporated.
11.13.
Vapour pressure
The vapour pressure is the pressure exerted when a liquid is in equilibrium with its own vapour. A
liquid enclosed in a given space at a given temperature will evaporate until the partial pressure of the
liquid in the gas phase is equal to its vapour pressure at that temperature. The saturated vapour
concentration is the concentration of the vapour in air corresponding with that vapour pressure.
The vapour pressure of a solvent is the fundamental thermodynamic property controlling volatility and
evaporation (emissions). It can be used to calculate other properties such as explosion limits and
saturated vapour concentration. The vapour pressure of the solvent blend is calculated from the
vapour pressures of the blends components, based on the Antoine equations, mole fractions and the
activity coefficients of those components. The Antoine equation is given below (eq 3). This calculation
is temperature-dependent. When the Antoine constants for one of the solvents is not in the database
and the temperature does not equal 25C, calculation of the vapour pressure is not possible. This will
be indicated with not calc.
10
Where
P
A,B,C
T
11.14.
log P = A
B
T +C
Equation 3
Blend VOC EU
The VOC content of a blend is calculated according to the EU VOC directive in mass per unit volume.
The directive states that: A volatile Organic Compound (VOC) shall mean any organic compound
having at 293.15 K a vapour pressure of 0.01 kPa or more, or having a corresponding volatility under
particular conditions of use. BlendPro calculates for every component in the blend whether or not it
53
should be considered as a VOC, also at temperatures other than 293.15 K. The VOC content of a
blend (EU) is calculated using the following equation:
Equation 4
Where
blend
xblend ,iV
When the Antoine constants for one of the solvents are not in the database the calculation of the VOC
(EU) content of the blend is not possible for temperatures other than 25C. This will be indicated with
not calc.
11.15.
The VOC content of a blend is calculated according to an Environmental Protection Agency (EPA)
indication in mass per unit volume. For this property there is indication in the database whether or not
a component is a VOC. The calculation is performed using the equation below. If in the future a
solvent becomes VOC exempt you can change this in the database via Tools
Database
Solvents.
Equation 5
11.16.
The Blend MIR (Maximum Incremental Reactivity) value is the weight averaged MIR value of a solvent
3
blend expressed as mass per unit volume (kg/ m ) or per unit mass (g/g). Basically this property is a
3
measure of the amount of ozone that theoretically can be formed per m or g of the solvent blend.
Separate MIR values of all solvents can be found in the database via Tools
Database
Solvents.
Equation 6
And
Equation 7
Where
Vsi
MIRsi
si
54
11.17.
The HAP content of the blend is calculated according to an Environmental Protection Agency (EPA)
indication in mass per unit volume. For this property there is an indication in the database whether or
not a component is a HAP. If in the future a solvent is removed from or added to the HAPs list, you
can change this in the database, via Tools
Database
Solvents. The calculation is performed
using the equation below.
Equation 8
Where
xblend ,iHAP
11.18.
The VOC content of the formulation calculated according to the EU VOC directive in mass per unit
volume. The directive states that: A volatile Organic Compound (VOC) shall mean any organic
compound having at 293.15 K a vapour pressure of 0.01 kPa or more, or having a corresponding
volatility under particular conditions of use. BlendPro calculates for every component in the blend
whether or not it should be considered as a VOC, also at temperatures other than 293.15 K. The VOC
(EU) content of the formulation is calculated using the following equation:
Equation 9
Where
formulation
xiV
When the Antoine constants for one of the solvents are not in the database, calculation of the VOC
(EU) content of the formulation is not possible for temperatures other than 25C. This will be
indicated with not calc.
This property can be used as a reformulation constraint. However reformulating using this property is
different from reformulating using the other properties because the formulation density (which is
needed as input for the VOC content calculation) changes as the solvent blend changes. For this
reason a new estimated formulation density is calculated by BlendPro, for the new blend, after the
reformulation exercise. This property is added to the data table located in the upper part of the screen.
Note that the estimated formulation density replaces the viscosity property in the data table. For this
reason, before reformulating using a constraint on the VOC content of the formulation, ensure that the
viscosity is switched to visible in Menu Tools Options
Properties.
11.19.
The VOC EPA content of the formulation is calculated according to an Environmental Protection
Agency (EPA) indication in mass per unit volume. For this property there is an indication in the
database whether or not a component is a VOC. The calculation is performed using the equation
below. Note that the calculation is different from the EU VOC content calculation in the sense that the
VOC content is now divided by the total volume minus the volume of VOC exempt solvent. If in the
future a solvent becomes VOC exempt, you can change this in the database via Tools
Database
Solvents.
55
VOC = formulation
1
i
where
xiV
Equation 10
xiNV
xiNV
= density of component i
This property can be used as a reformulation constraint. However reformulation using this property is
different from reformulation using the other properties because the formulation density (which is
needed as input for the VOC content calculation) changes as the solvent blend changes. For this
reason a new estimated formulation density is given, together with the current blend, after the
reformulation exercise. This property is added to the data table located in the upper part of the screen.
Note that the estimated formulation density replaces the viscosity property in the data table. For this
reason, before reformulating using a constraint on the VOC content of the formulation, ensure that the
viscosity is switched to visible in Menu Tools Options
Properties.
11.20.
The product weighted MIR value (PWMIR) or Ozone Creation Potential (OCP) are the weight
averaged MIR value of a formulated product, e.g. paint. It is the theoretical amount of ozone in grams
that can be created per litre product (paint). It is calculated as follows:
Where
Vsi
MIRsi
si
Wsolids
11.21.
Formulation RAVOC
The Reactivity Adjusted VOC (RAVOC) is commonly in the US accepted measure for ozone
reactivity. It is the VOC content of a formulation, multiplied by a weight-averaged reactivity that is
measured against a base MIR, i.e. the MIRBC (MIR Base Case).
The MIRBC is the MIR value of a mixture of reactive organic gases, which represents the chemical
composition of the air in 39 urban areas throughout the United States. Currently this base case MIR
value is set to 3.71.
56
Where
Vsi
MIRsi
Wsolids
The MIRBC is now (2008) set to 3.71. If in the future the base case is set to an other value,
BlendPro can be updated easily by downloading a small file. Please contact your Shell contact
for BlendPro for this.
11.22.
The VOC content of the formulation is calculated according to the EU VOC directive in mass per unit
mass solids. The directive states that: A volatile Organic Compound (VOC) shall mean any organic
compound having at 293.15 K a vapour pressure of 0.01 kPa or more, or having a corresponding
volatility under particular conditions of use. BlendPro calculates for every component in the blend
whether or not it should be considered as a VOC, also at temperatures other than 293.15 K. The VOC
(EU) content of the formulation (weight/weight solids) is calculated using the following equation:
x
VOC =
where
iV
Equation 13
When the Antoine constants for one of the solvents are not in the database calculation of the VOC
(EU) content of the formulation (weight/weight solids) is not possible for temperatures other than 25C.
This will be indicated with not calc..
11.23.
The VOC content of the formulation is calculated according to an Environmental Protection Agency
(EPA) indication in mass per unit mass solids. For this property there is an indication in the database
whether or not a component is a VOC. The calculation is performed using the equation below. If a
solvent becomes VOC exempt you can change this in the database via Tools
Database
Solvents.
x
VOC =
11.24.
iV
Equation 14
The HAP content of the formulation calculated according to an Environmental Protection Agency
(EPA) indication in mass per unit volume. For this property there is an indication in the database
whether or not a component is HAP. If in the future a solvent is removed from or added to the HAPs
57
Equation 15
where
xiHAP
11.25.
The HAP content of the formulation calculated according to an Environmental Protection Agency
(EPA) indication in mass per unit mass solids. For this there is an indication in the database whether
or not a component is a HAP. If in the future a solvent is removed from or added to the HAPs list, you
can change this in the database via Tools
Database
Solvents. The calculation is performed using
the equation below.
x
HAP =
iHAP
Equation 16
58
11.26.
The fast active solvent content is the volume percentage of oxygenated solvents in the blend having
an evaporation time less than 120 s.
11.27.
The slow active solvent content is the volume percentage of oxygenated solvents in the blend having
an evaporation time longer than 1700 s.
11.28.
Aromatics content
Aromatics content is the volume percentage of aromatics present in the blend, calculated from the
composition of the blend.
11.29.
Hydrocarbons content
Hydrocarbons content is the volume percentage of hydrocarbons present in the blend, calculated from
the composition of the blend.
11.30.
Ketones content
Ketones content is the volume percentage of ketones present in the blend, calculated from the
composition of the blend.
11.31.
Esters content
Esters content is the volume percentage of esters present in the blend, calculated from the
composition of the blend.
11.32.
Glycol ethers or Ethers content is the volume percentage of glycol ethers or ethers present in the
blend, calculated from the composition of the blend.
11.33.
Alcohols/glycols content is the volume percentage of all alcohols present in the blend, including
glycols, calculated from the composition of the blend.
11.34.
Miscellaneous content
Miscellaneous content is the volume percentage of miscellaneous solvents present in the blend,
calculated from the composition of the blend.
59
11.35.
Spray evaporation
The spray evaporation model calculates the change in composition and the amount of solvent
evaporated from a particle in a spray cone as it travels from the nozzle of a spray gun to the substrate.
This is calculated in a number of time steps, recalculating the composition at each time step. The
model is based on drop evaporation models that are used to calculate evaporation in spray
11
combustion in furnaces . In the model it is assumed that the solvent evaporates in quasi steady state,
which is a combination of diffusion-and mass-transfer-controlled evaporation. The model takes into
account the temperature of the environment, relative humidity and evaporative cooling of the solvent.
The user can set the spray temperature and, together with the evaporation temperature of the
standard evaporation model, the process of spraying and cure in an oven can be simulated. Also the
spray distance can be set. When spraying is set as the application method the program calculates the
amount of solvent evaporated during spray and the composition after spray, including solid contents.
This composition is then used to calculate the evaporation after spray, using the standard evaporation
model. On the basis of the wet film thickness (user input) the time needed to evaporate 90% of the
solvent can be calculated. Since the wet film thickness is used to calculate the amount of solvent
present at the start of the evaporation process after spraying, the amount of solvent, which
evaporates, when spraying is selected, differs from the amount in a standard evaporation calculation
(ASTM D 3539). For this reason the 90% evaporation time when the spray method is selected cannot
be compared with the evaporation time in case brush is selected.
This spray model has been developed in cooperation with SATA Farbspritz Technik GmbH, one
of the largest spray gun manufacturers in the world.
The model is developed for a High Volume Low
Pressure (HVLP) spray gun, which is a widely used
type.
The Spray model has been validated experimentally by actual spraying of several solvent/resin
solutions followed by determination of the composition after spraying. A typical example of the result
can be seen in the figure below.
60
60
Composition (%)
50
At start
Measurement 1
Measurement 2
Model
40
30
20
10
0
MEK
BuAc
Solids
Temperature
Figure 32. Comparison between experimental and predicted compositional changes for a MEK/nBuAc mixture (1:1), at a
spray distance of 15 cm.
11.36.
Exposure model
12,
Based on work of the Environmental Protection Agency (EPA) the exposure model describes the
evaporation of solvent from a paint film, giving a concentration profile in a room, that changes with
time. The model has been validated using the results of a study performed by the British Research
7
Establishment . Although the results produced by the model are good the results should be seen as
purely indicative.
The model describes the evaporation of solvent from a paint film, applied on a wall using a brush, and
assumes the solvent is readily available at the film surface. This means diffusion of the solvent
through the paint layer as a rate-determining-step is not taken into account. Above the film a static
vapour layer is assumed through which the solvent needs to pass. In the model this is accounted for
by using the mass transfer coefficient as calculated from the diffusion coefficient of the solvent
molecules through air and the thickness of the static layer. It is assumed that the solvent is
immediately spread out evenly through the room. Furthermore, the model takes into account the air
exchange rate, which is the number of times per hour that the air in the room is refreshed. A value of
-1
-1
0.2 hr represents a room with doors and windows closed, 2-3 hr for a room with low ventilation and
-1
13
4-7 hr for a room with moderate ventilation .
When the exposure model is switched on, the spray evaporation model is disabled. Due to the fact
that these model calculations reflect a standard room and have underlying assumptions such as the
immediate even spreading of the vapour through the room, the results from this model are purely
indicative.
Note that the concentration profiles calculated by BlendPro can only be used as an indication
and should always be measured in practice.
61
11.37.
Temperature dependency
evaporation time
single step evaporation time
evaporation temperature
spray evaporation temperature (dependent on spray temperature)
vapour pressure
Blend VOC EU
Formulation VOC EU
Formulation VOC EU (weight/weight solid)
Change in composition due to (spray) evaporation
11.38.
62
12.
Reformulation mode
If an existing blend needs to be reformulated for e.g. technical, logistic or legal reasons, BlendPro can
save days of experimental effort per blend by generating alternative formulations.
Based on technical criteria (constraints) and, if desired, the price of the solvents BlendPro suggests an
alternative blend. See also section 8.3 in which a reformulation procedure is described to achieve
maximum benefit from this feature.
The blend section is changed in order to enter the constraints. The following items change, as
compared to the properties calculation mode:
Exposure, Application and Water Uptake areas are replaced by the Reformulation Constraints table
The blend section is blue
For the blend tab is blue
Solvent fraction inputs are disabled and blue
The Calculate button is replaced by the Reformulate button
63
Evaporation Conditions
Formulation Properties
Reformulation Constraints
Blend Tabs
If none is selected in the price set box the reformulation will take place without price optimisation. If a
price set is selected the reformulation is carried out using the prices in the indicated price set and a
lowest cost blend will be suggested within specified technical constraints.
64
65
13.
The output of the calculations of the blend properties, also during evaporation, is presented in the
upper part of the screen. This section is automatically activated after a calculation, and the data table
will be shown. If a graph was selected before the calculation, this graph will remain visible after the
calculation. The output data can either be viewed in graphical or tabular form. Both the table and the
graph can be enlarged by pulling the horizontal splitter down. See also Chapter 12 for additional
information on the properties presented in the output section. An example of the output section after
calculation can be viewed in the file Example1.bpr, which can be found in the Examples folder of the
program.
The output consists of several tabs, which are described in the individual paragraphs of this chapter:
Data
Evaporation/Evaporation (incl. spray)
Solvent Balance
Solubility Maps
Water Uptake
Exposure Model
If more than one blend tab is selected before a calculation, the Data tab will contain a table with the
output of the selected blends. The first table will always contain the data of the Current Blend, which
66
is the first blend tab selected. The Current Blend is indicated in bold and a brighter yellow/blue
colour, depending on the mode the tab is in.
If the spray model is switched on an extra column is inserted in the data output table separated by a
thick line. This line indicates the end of the spray evaporation and the start of the film evaporation.
Assume that 34% of a blend has evaporated during spraying the new column will be added at the
evaporation percentage after spraying i.e. 34%. The evaporation columns between 0% and 34% are
then not shown. The end-of -spray column is followed by the normal evaporation columns at 40%,
50%, etc. The data in the end-of-spray column are the properties of the blend after spraying, which
are the starting properties for the film evaporation calculations afterwards.
The graph can be copied to the Windows clipboard and thus to other applications using the Ctrl+C
command or by selecting the Copy command in the menu. The values of the data points in the graph
can be made visible by placing the cursor on them.
67
68
The graph can be copied to other applications using the Ctrl+C command or by selecting the Copy
command in the menu. The values of the data points in the graph can be made visible by placing the
cursor on them.
When more than one blend has been selected before the calculation the change in solubility power of
the solvent blends is plotted for all selected blends. The start of the evaporation is indicated with a
different marker.
69
This plot can also be used for displaying the solids content of multiple blends by selecting the blend
tabs and performing the calculation, followed by selecting the plot again. The data of the selected
blends is then shown in one plot.
The graph can be copied to other applications using the ctrl+C command or by selecting the Copy
command in the menu. The values of the data points in the graph can be made visible by placing the
cursor on them.
70
71
The spray model also changes the Properties Data table in a similar way. A column is inserted at the
evaporation percentage after spraying, e.g. at 26%. The thick borderline line of that column indicates
the end of spray. The columns between 0% and 26% are then not shown. The new column is followed
by the normal columns at 40%, 50%, etc. The inserted column will contain the properties of the blend
immediately after spraying:
72
14.
References
1. Hildebrand, J.H. and Scott, R.L. , Regular Solutions, Prentice Hall, Englewood Cliff, N.J., 1962
rd
2. Hildebrand, J.H. and Scott, R.L., The solubility of Non-Electrolytes, 3 Edition, Reinhold Publishing
Corp., New York, 1950.
3. Crowley, J.D., Teague and Lowe J.W., J. Paint Technol., 38, 269, (1966)
4. Crowley, J.D., Teague and Lowe J.W., J. Paint Technol., 39, 19, (1967)
5. Nelson, Hemwall and Edwards, J. Paint Technol., 42, No 550, 636, (1970)
6. Hansen, C.M., J Paint Tech., 39, No 511, 505 (1967).
7. Rocklin, A.L. and Edwards G.D., J. Coatings Technol., 48, No 620, 68, (1976)
8. Rocklin, A.L. and Barnes, J.A., J. Coatings Technol., 52, No 665, 23 (1980)
9. Rocklin, A.L. and Bonner, D.C., J Coatings Tech., 52, No 670, 27, (1980)
10.Gmehling, J. and Rasmussen, P., Ind. Eng. Chem. Fundam., 21, 2, (1982)
11.Lefebvre, A.H., Atomization and Sprays, Hemisphere Publishing Corporation, New York, 1989
12.Guo, Z., Sparks L.E., Tichenor B.A. and Chang, J.C.S., Atmospheric Environment, 32, No 2, 231,
(1998)
13.Miller, E.R., Dearling, T.B. and Boxall, J., Interior Painting of trim with solvent-borne paints, BRE
Information Paper (1995)
73
74
15.
Index
database screens ..............................................................14
delete ...............................................................................31
Delete solvent............................................................45, 64
density .............................................................................51
dependency on relative humidity.....................................62
dynamic viscosity............................................................51
9
90% evaporation time......................................................52
C
Calculate ..................................................................18, 49
Category ..........................................................................16
cgs ...................................................................................41
Close ...............................................................................28
compare...........................................................................21
constraint values............................................................20
Constraints table........................................................63, 65
content of a property column...........................................45
conventions .......................................................................8
conversion factors ...........................................................80
copy.....................................................................30, 34, 38
Copy ...............................................................................31
Cost .................................................................................51
Cost per unit volume .......................................................51
Cost per unit weight ........................................................52
cut..................................................................30, 31, 34, 38
G
glycol ethers/ethers content .............................................59
H
HAP...........................................................................55, 58
HBI..................................................................................51
Help ..........................................................................35, 38
helpfile ................................................................35, 38, 43
Hildebrand.......................................................................50
Hildebrand Solubility Parameter .....................................50
D
data table .............................................................16, 66, 72
database...........................................................................32
75
HSP .................................................................................50
hydrocarbons content ......................................................59
hydrogen bonding index..................................................51
hygroscopic .....................................................................62
I
Impact of the spray model ...............................................71
Important...........................................................................8
Initial ...............................................................................65
Input ................................................................................39
input section ....................................................................46
installation procedure ......................................................11
K
ketones content................................................................59
R
L
RAVOC...........................................................................56
Reactivity Adjusted VOC................................................56
recently used BLENDPRO files ......................................30
Reformulate button ........................................................63
reformulation.............................................................19, 20
reformulation constraint type.......................................19
reformulation constraints table ........................................16
Reformulation Constraints table......................................65
reformulation mode .........................................................13
relative humidity .......................................................62, 70
Remove a cost Set ....................................................25, 26
Remove solvent ..............................................................32
resin database ..................................................................36
Resin identification........................................................41
Resin solubility maps ......................................................68
results .......................................................................18, 20
M
main screen .....................................................................13
marketed by Shell............................................................44
Maximum Incremental Reactivity...................................54
menu................................................................................27
MIR values ......................................................................54
MIRBC............................................................................56
miscellaneous solvents content........................................59
multiple blend option ......................................................21
S
SATA Farbspritz Technik GmbH....................................60
Save...........................................................................18, 20
Save As ...........................................................................28
Select solvents ................................................................17
settings ............................................................................32
Setup................................................................................11
Shell Name ......................................................................40
Shell Name & User Name ...............................................40
SI .....................................................................................41
single step evaporation time ............................................52
Slow active solvent content .............................................59
Smaller constraint............................................................65
solid content ....................................................................53
solids graph .....................................................................69
solubility map......................................................10, 62, 68
solubility parameter.........................................................50
solubility parameters .......................................................68
solvent balance graph ......................................................67
solvent database...............................................................32
Solvent Fractions.............................................................64
Solvent identification.....................................................40
specific gravity ................................................................51
splitter..............................................................................13
N
new blend ........................................................................31
new features ....................................................................10
new file............................................................................27
not calc .................................................... 52, 53, 54, 55, 57
Num/Caps Lock keys ......................................................30
Number of parameters..................................................41
O
OCP.................................................................................56
options.............................................................................32
Options ............................................................................39
order of properties ...........................................................42
output of the blend properties..........................................66
P
paste ..............................................................30, 31, 34, 38
phase separation ..............................................................52
Price ................................................................................51
76
spray................................................................................48
spray evaporation model .................................................60
spray evaporation temperature ........................................53
spray model .....................................................................71
spraying...........................................................................48
status bar .........................................................................30
T
temperature dependency..................................................62
U
UNIFAC data ..................................................................36
Units ...............................................................................41
units of measure ..............................................................80
units of measure set .........................................................32
USA.................................................................................41
user names.................................................................16, 40
using a formulation VOC constraint................................20
V
Val1.................................................................................65
Val2.................................................................................65
vapour pressure ...............................................................53
viscosity ..........................................................................51
visibility of the properties................................................42
VOC ..........................................................................54, 55
W
water uptake ..................................................................18
Water Uptake ................................................................48
water uptake graph ..........................................................70
Windows 2000 ..........................................................10, 11
Windows 95 ..............................................................10, 11
Windows 98 ..............................................................10, 11
Windows NT ...................................................................10
77
APPENDIX 1. Menu
Menu
File
items
Sub Menu
Shortcut
Description/Action
New
Ctrl-N
Open
Ctrl-O
Save
Ctrl-S
Save As
Close
Edit
SubSub
Menu
Ctrl-P
Print Preview
Print Setup
Recent File
Exit
Cut Text
Ctrl-X
Copy Text
Ctrl-C
Paste Text
Ctrl-V
View
Status Bar
Blends
New
Delete
Cut Blend
Copy Blend
Paste Blend
78
to
the
current
Tools
Database
Solvents
Menu
Sub Menu
SubSub
Menu
Resins
Help
Description/Action
Start the Resin Database dialogue
Options
Cascade
Tile Horizontally
Tile Vertically
(Open windows)
Help Topics
About BlendPro
79
SI = Standard International,
Explanation
User defined name
Solvent category
Molecular weight
Density at 25C
Boiling point
Flash point (Closed cup)
Viscosity for non-aqueous
blends at 25C
Heat capacity
Heat of combustion
Heat of vaporization
Antoine constant A
Antoine constant B
Antoine constant C
Min temp of ANTOINES
Max temp of ANTOINES
Vapor pressure at 25C
Flash point flag (0=calc not
allowed; 1=calc allowed)
90% evaporation time
Actual evaporation
temperature of solvent
Hildebrand solubility
parameter
Fractional polarity
Hydrogen bonding index
Explanation
cgs unit
g/mol
3
g/cm
C
C
mPa.s
SI-->cgs
*1
*1
*1
* 0.001
-273.15
-273.15
*1
SI unit
kg/kmol
3
kg/m
K
K
mPa.s
SI-->USA
*1
*1
*1
* 1000
(K-273.15)*5/9 + 32
(K-273.15)*5/9 + 32
*1
USA unit
g/mol
3
g/m
F
F
cP
kJ/kg/C
kJ/kg
kJ/kg
C,mbar
C,mbar
C,mbar
C
C
mbar
-
*1
*1
*1
-2
*1
-273.15
-273.15
-273.15
* 1 / 100
kJ/kg/K
kJ/kg
kJ/kg
K,Pa
K,Pa
K,Pa
K
K
Pa
-
* 4186.8
* 0.45359237 / 1.055056
* 0.45359237 / 1.055056
-2.1249
*1
-273.15
(K-273.15)*5/9 + 32
(K-273.15)*5/9 + 32
* 1 / 133.3224
Btu/lb/F
Btu/lb
Btu/lb
C,mmHg
C,mmHg
C,mmHg
F
F
mmHg
-
s
C
*1
-273.15
s
K
*1
(K-273.15)*5/9 + 32
s
F
(cal/cm )^1/2
* (1 / 4.1868)^0.5
(MPa)^1/2
* (1 / 4.1868)^0.5
(cal/cm )^1/2
cgs unit
*1
*1
SI-->cgs
SI unit
*1
*1
SI-->USA
USA unit
80
%v
%v
%v
%w
-
* 100
* 100
* 100
* 100
* 100
* 100
* 100
*1
Vol. frac.
Vol. frac.
Vol. frac.
Weight fr.
-
* 100
*1
%v
%v
%v
%w
-
price/kg
*1
price/kg
* 0.45359237
price/lb
price/
*1
price/l
* 0.2641721
price/gal
kJ/kg/C
*1
kJ/kg/K
* 4186.8
Btu/lb/F
kJ/m/s/C
*1
kJ/m/s/K
* 1730.735015
Btu/ft/h/F
-273.15
(K-273.15)*5/9 + 32
%w
* 100
Weight fr.
* 100
%w
g/l
*1
kg/m
* 0.008345404
lb/gal
g/l
*1
kg/m
* 0.008345404
lb/gal
g/l
*1
kg/m
* 0.008345404
lb/gal
g/g
*1
kg/kg
*1
lb/gal
g/l
*1
kg/m
* 0.008345404
lb/gal
g/l
*1
kg/m
* 0.008345404
lb/gal
g/l
*1
kg/m
* 0.008345404
lb/gal
81
Property
Form VOC EU
(weight/weight)
Form VOC EPA
(weight/weight)
Form PWMIR, OCP
Form RAVOC
Form HAP content
Explanation
VOC content of the
formulation according to the
EU VOC directive
VOC content of the
formulation according to the
EPA
Product Weighted Maximum
Incremental Reactivity
Reactivity Adjusted VOC
content
HAP content of the
formulation according to the
EPA
HAP content of the
formulation according to the
EPA
cgs unit
g/g
SI-->cgs
*1
SI unit
kg/kg
SI-->USA
*1
USA unit
lb/lb
g/g
*1
kg/kg
*1
lb/lb
g/l
*1
kg/m
* 0.008345404
lb/gal
g/l
*1
kg/m
* 0.008345404
lb/gal
g/l
*1
kg/m
* 0.008345404
lb/gal
g/g
*1
kg/kg
*1
lb/lb
82
Resin name
Manufacturer
NeoCryl B 736
Paraloid B 44
Plioway EC1
Zeneca
Rohm and Haas
Goodyear Tire and Rubber Co.,
AKRON, OHIO,USA
Macrynal VSM 2570
Hoechst
Nitrocellulose (Walsroder) E330 Wolff Walsrode AG
Plioway Ultra
Goodyear Tire and Rubber Co.,
AKRON, OHIO,USA
Pliolite AC 80
Goodyear Tire and Rubber Co.,
AKRON, OHIO,USA
Lumitol H136
BASF AG
Uralac AD 10
Uralac AD 46
Setal 270 WS-70
Setal 16 LV WS-70
Synolac 6094 WP 85
Synolac 6095 WP 85
Uralac AD 14 W-75
Uralac AH 99
Uralac XP 2670 AH
Uralac ZW 3782 AH
Synthalat HS80
Vialkyd 6070
Uralac AD 95 V-75
Uralac AH 263
Uralac A24 271
Lioptal 549
Setal 196 XX-65
Uralac AM 360 X-75
Setal 84 XX-70
Uralac AK 424
Vialkyd VAF 6071 tix
Urathix AT 421 Q-95
Cymel 303
Resimene 747
Euredur 115
Dynomin UM-15
25% Cardura E10 acrylic resin
45% Cardura E10 acrylic resin
CAB-381-0.5
CA-398-30
Resin type
Acrylic
Acrylic
Acrylic
Acrylic
Acrylic
Acrylic
Acrylic and styrene copolymer
83
Wolff Walsrode AG
RESOLUTION Performance
Products
RESOLUTION Performance
Products
RESOLUTION Performance
Products
Hercules International Ltd
Bakelite AG
Bakelite AG
DSM
DSM
BAYER AG
AKZO NOBEL
Zeneca
BAYER AG
BF Goodrich
BF Goodrich
BAYER AG
BAYER AG
Goodyear Tire and Rubber Co.,
AKRON, OHIO,USA
BASF AG
BASF AG
Hoechst
Wacker Polymer Systems
Monsanto
Hoechst
Wacker Polymer Systems
BASF AG
84
Cellulosic (Nitrate)
Epoxy
Epoxy
Epoxy
Hydrocarbon (Unsaturated)
Phenolic
Phenolic
Phenolic (Novolake)
Phenolic (Resol)
Polyester
Polyester
Polyurethane
Polyurethane
Polyurethane
Polyurethane
Polyurethane
Polyurethane
Styrene and butadiene copolymer
Vinyl Chloride
Vinyl Chloride
Vinylacetate
Vinylacetate
Vinylbutyral
Vinylbutyral
Vinylbutyral
Vinylether
85
Group Group
number name
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
CH3
CH2
CH
C
CH2=CH
CH=CH
CH2=C
CH=C
C=C
ACH
AC
ACCH3
ACCH2
ACCH
OH
CH3OH
H2O
ACOH
CH3CO
CH2CO
CHO
CH3COO
CH2COO
HCOO
CH3O
CH2O
CHO
THF
CH3NH2
CH2NH2
CHNH2
CH3NH
CH2NH
CHNH
CH3N
CH2N
ACNH2
C5H5N
C5H4N
C5H3N
CH3CN
CH2CN
COOH
HCOOH
CH2Cl
CHCl
CCl
CH2Cl2
CHCl2
n-Hexane
2 -CH3, 4 -CH2-
2,3-Dimethylbutane
2,2-Dimethylpropane
Hexene-1
Hexene-2
2-Methylbutene-1
2-Methylbutene-2
2,3-Dimethylbutene-2
Benzene
Styrene
Toluene
Ethylbenzene
Cumene
Propanol-1
Methanol
Water
Phenol
Butanone
Pentanone-3
Acetaldehyde
Butylacetate
Methyl propionate
Ethylformate
Dimethylether
Diethylether
Diisopropylether
Tetrahydrofuran
Methylamine
Ethylamine
Isopropylamine
Dimethylamine
Diethylamine
Diisopropylamine
Trimethylamine
Triethylamine
Aniline
Pyridine
2-Methylpyridine
2,3 Dimethylpyridine
Acetonitrile
Propionitrile
Acetic acid
Formic acid
1-Chlorobutane
2-Chloropropane
2-Chloro,2-methyl-propane
Dichloromethane
1,1-Dichloroethane
4 -CH3, 2 -CH4 -CH3, 1 -C1 -CH3. 3 -CH2-, 1 CH2=CH2 -CH3, 2 -CH2-, 1 -CH=CH2 -CH3, 1 -CH2-, 1 CH2=C3 -CH3, 1 -CH=C4 -CH3, 1 -C=C6 -ACH
1 -CH2=CH-, 5 -ACH, 1 -AC
5 -ACH,1 -ACCH3
1 -CH3, 5 -ACH, 1 -ACCH22 -CH3, 5 -ACH, 1 -ACCH1 -CH3, 2 -CH2-, 1 -OH
1 CH3OH
1 H2O
5 -ACH, 1 -ACOH
1 -CH3, 1 -CH2-, 1 CH3CO2 -CH3, 1 -CH2-, 1 -CH2CO1 -CH3, 1 -CHO
1 -CH3, 3 -CH2-, 1 CH3COO2 -CH3, 1 -CH2COO1 -CH3, 1 -CH2-, 1 -HCOO
1 -CH3, 1 -CH3O2 -CH3, 1 -CH2-, 1 -CH2O4 -CH3, 1 -CH-, 1 -CHO3 -CH2, 1 THF
1 CH3NH2
1 -CH3, 1 -CH2NH2
2 -CH3, 1 -CHNH2
1 -CH3, 1 -CH3NH
2 -CH3, 1 -CH2-,1 -CH2NH
4 -CH3, 1 -CH-,1 -CHNH
2 -CH3, 1 -CH3N
3 -CH3, 2 -CH2-, 1 -CH2N
5 -ACH, 1 -ACNH2
1 C5H5N
1 -CH3, 1-C5H4N
2 -CH3, 1-C5H3N
1 CH3CN
1 -CH3, 1 -CH2CN
1 -CH3, 1 -COOH
1 HCOOH
1 -CH3, 2 -CH2-, 1 -CH2Cl
2 -CH3, 1 -CHCl3 -CH3, 1 -CCl1 CH2Cl2
1 -CH3, 1 -CHCl2
86
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
CCl2
CHCl3
CCl3
CCl4
ACCl
CH3NO2
CH2NO2
CHNO2
ACNO2
CS2
CH3SH
CH2SH
Furfural
DOH
I
Br
CHC
CC
DMSO
Acrylnitrile
CL-(C=C)
ACF
DMF
HCON(CH2)2
CF3
CF2
CF
COO
SiH3
SiH2
SiH
Si
SiH2O
SiHO
SIO
NMP
CCl3F
CCl2F
HCCl2F
HCClF
CCl2
CCl3
CCl3
CCl4
ACCl
CNO2
CNO2
CNO2
ACNO2
CS2
CH3SH
CH3SH
Furfural
DOH
I
Br
CC
CC
DMSO
ACRY
CLCC
ACF
DMF
DMF
CF2
CF2
CF2
COO
SiH2
SiH2
SiH2
SiH2
SiO
SiO
SiO
NMP
CClF
CClF
CClF
CClF
90
91
92
93
94
95
96
97
98
99
100
CClF2
HCClF2
CClF3
CCl2F2
CONH2
CONHCH3
CONHCH2
CON(CH3)2
CONCH3CH2
CON(CH2)2
C2H5O2
CClF
CClF
CClF
CClF
CON
CON
CON
CON
CON
CON
OCCOH
2,2-Dichloropropane
Chloroform
1,1,1-Trichloroethane
Tetrachloromethane
Chlorobenzene
Nitromethane
1-Nitropropane
2-Nitropropane
Nitrobenzene
Carbondisulphide
Methanethiol
Ethanethiol
Furfural
1,2-Ethanediol
1-Iodoethane
1-Bromoethane
Hexyne-1
Hexyne-2
Dimethylsulfoxide
Acrylnitrile
Ethene-trichloro
Hexafluorobenzene
N,N-Dimethylformamide
N.N-Diethylformamide
Perfluorohexane
Perfluoromethyl-cyclohexane
Methylacrylate
Methylsilane
Diethylsilane
Heptamethylsiloxane
Heptamethyldsiloxane
1,3-Dimethyldsiloxane
1,1,3,3 Tetramethyl-disiloxane
Octamethylcyclo-tetrasiloxane
N-Methylpyrrolidone
Trichlorofluoromethane
Tetrachloro-1,2-difluoromethane
Dichlorofluoromethane
1Chloro1,2,2,2-tetrafluoroethane
1,2 Dichlorotetrafluoroethane
Chlorodifluoromethane
Chlorotrifluoromethane
Dichlorodifluoromethane
Acetamide
N-Methylacetamid
N-Ethylacetamide
N,N Dimethylacetamide
N,N-Methylethyl-acetamide
N,N-Diethylacetamide
2-Ethoxyethanol
(Et OXITOL)
87
2 -CClF2
1 HCClF2
1 CClF3
1 CCl2F2
1 -CH3, 1 -CONH2
1 -CH3, 1 -CONHCH3
2 -CH3, 1 -CONHCH21 -CH3, 1 -CON(CH3)2
2 -CH3, 1 -CONCH3CH23 -CH3, 1 -CON(CH2)21 -CH3, 1 -CH2-, 1 -C2H5O2
101
C2H4O2
OCCOH
102
103
104
105
106
107
108
109
110
111
112
113
114
115
CH3S
CH2S
CHS
MORPH
C4H4S
C4H3S
C4H2S
CH4
CH2=CH2
CHCH
cy-CH2
cy-CH
OH(s)
OH(t)
CH2S
CH2S
CH2S
Morpho-line
Thio-phene
Thio-phene
Thio-phene
CH2
C=C
CC
CH2
CH2
OH
OH
1-Ethoxy-2-propanol
(Et PROXITOL)
Dimethylsulfide
Diethylsulfide
Diisopropylsulfide
Morpholine
Thiophene
2-Methylthiophene
2,3-Dimethylthiophene
Methane
Ethene
Ethyne
Cyclohexane
Methylcyclohexane
Propanol-2
2- Methylpropanol-2
88
89