F.DFT MODELS
Models Based on Statistical Thermodynamics . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .F-1 Theoretical Background. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .F-1 Molecular Simulation Methods . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .F-2 Molecular Dynamics Method. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .F-2
Monte Carlo Method . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .F-2 Density Functional Formulation. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .F-3 Models Included. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .F-8 Non-Local Density Functional Theory with Density Independent Weights . . . . . . . . . .F-8
Modified Non-Local Density Functional Theory with Density-Dependent Weights . . .F-8 Models Based on Classical Theories . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .F-12 Surface Energy. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .F-12 Pore Size. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .F-12 Models Included. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .F-13 Kelvin Equation with Halsey Thickness Curve. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .F-13
Kelvin Equation with Harkins and Jura Thickness Curve. . . . . . . . . . . . . . . . . . . . . . . .F-14
Kelvin Equation with Broekhoff-de Boer Thickness Curve . . . . . . . . . . . . . . . . . . . . . .F-14 References . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .F-15 INDEX
May 2010 vii
Table of Contents ASAP 2050 Operator’s Manual viii May 2010
ASAP 2050 Operator’s Manual Organization of the Manual
1. GENERAL INFORMATION
This manual describes how to install and operate the ASAP 2050 Xtended Pressure
Adsorption Analyzer.
Organization of the Manual
The manual is pided into the following chapters:
Chapter 1GENERAL INFORMATION
Provides a general description of the ASAP 2050 system as well as its
specifications.
Chapter 2USER INTERFACE
Provides basic instrument and software interface.
Chapter 3OPERATIONAL PROCEDURES
Provides step-by-step instructions for operating the ASAP 2050.
Chapter 4SOFTWARE AND SETUP MODIFICATIONS
Provides instructions for using the 2050 Setup program.
Chapter 5FILE MENU
Provides a description of the commands on the File menu.
Chapter 6 UNIT MENU
Provides a description of the commands on the Unit menu.
Chapter 7REPORTS MENU
Provides a description of the commands on the Reports menu and
samples of reports.
Chapter 8 OPTIONS MENU
Provides a description of the commands on the Options menu.
Chapter 9TROUBLESHOOTING AND MAINTENANCE
Provides instructions for troubleshooting hardware problems and for
performing routine maintenance procedures.
Jul 07 1-1
Organization of the Manual ASAP 2050 Operator’s Manual Chapter 10ORDERING INFORMATION
Provides part numbers and descriptions of the ASAP 2050 System
components and accessories.
Appendix A A. ASAP SERIES SAMPLE DATA WORKSHEET
Contains a form to assist you in determining the sample mass.
Appendix B ERROR MESSAGES
Lists the error messages that may be displayed in the analysis
program; includes a cause and action for each.
Appendix C C. CALCULATIONS
Contains the calculations used by the system to produce reports.
Appendix D TESTING FOR LEAKS
Describes the procedure for testing each valve for leaks.
Appendix E CALCULATING FREE-SPACE V ALUES
Provides instructions for obtaining free-space values to use in
analyses.
Appendix F DFT MODELS
Provides information on DFT models.
Index INDEX
Provides quick access to a subject matter.
1-2 Jul 07
ASAP 2050 Operator’s Manual Conventions Jul 07 1-3 Conventions
This manual uses the symbols shown below to identify notes of importance, cautions, and
warnings.Notes contain a tip or important information pertinent to the subject matter.Cautions contain information to help you prevent actions which could damage the
instrument.Warnings contain information to help you prevent actions which could cause personal
injury.
Online Manual ASAP 2050 Operator’s Manual 1-4 Jul 07Online Manual
For your convenience, the Operator’s Manual is available online. You can access the manual
by selecting Help , then Operator’s Manual from the analysis program main menu. The
manual appears in an Adobe ? Acrobat ? Reader ?.
Following are some tips to help you quickly locate the information you need in the manual.
Refer to the Adobe Acrobat Help system (click the Help button on the Acrobat menu) for more information on the Acrobat features you can use while viewing the manual.
Using Bookmarks
Click the Bookmarks tab to list and access the topics included in the manual.
You can use the + and ? buttons next to topics as they are used in Windows Explorer to
expand or collapse the topic list.
Navigation Pane
Topic Pane
Bookmarks
Topics
ASAP 2050 Operator’s Manual Online Manual To display a topic, click the topic name in the Bookmarks section. The related information
appears in the topic pane of the window as shown in the following example.
Click bookmark
to display topic.
Jul 07 1-5
Online Manual ASAP 2050 Operator’s Manual Using the Table of Contents, Index, and other Links
Links provide direct access to selected information. All links appear in blue type. Links are
contained in:
?the table of contents
?index entries
?cross-references within the manual
Table of Contents
To display the table of contents, click Table of Contents in the Bookmarks section. When the
table of contents is displayed, you can click an entry to display its associated page. For
example, clicking Using the Software in the table of contents, displays the page containing
information about the software.
Click topic name in
table of contents to
display topic.
1-6 Jul 07
ASAP 2050 Operator’s Manual Online Manual Index
To use the index in the online manual, click the Bookmarks tab, scroll down to INDEX (the
last topic in Bookmarks), then click the + button to expand the index. The letters A through Z
are displayed. Click a letter to display its corresponding index entries as shown in the
following example.
Click a letter to display
its index entries.
After you display the entries, locate the item of interest and click on the page reference to
access the information.
Cross References
Cross-references work in the same manner. In the example below, clicking on the cross-
reference, FILE MENU (shown on the screen in blue type) will display the first page of the
chapter describing the commands found on the File menu.
FILE MENU
Provides a description of the commands available on the File menu.
Jul 07 1-7
Online Manual ASAP 2050 Operator’s Manual Using the Find Command
The Adobe Acrobat Find command provides another method of easily accessing specific
information. For example, suppose you want to know how the Save as command works. You
could select Edit > Find from the Adobe Acrobat menu, then enter Save as in the Find dialog.
The following example shows the results.
1-8 Jul 07
ASAP 2050 Operator’s Manual Online Manual
Jul 07 1-9 Printing
You can print the entire manual, a selected page, or range of pages. There are several options
for printing. You can:
?
Select the printer icon () on the Adobe Acrobat toolbar.
A standard Print dialog is displayed. Select the page(s) to print, then click OK . When using
this option (or the next one), be sure to enter the page number(s) displayed in Adobe
Acrobat; do not use the page number(s) listed in the footer(s) of the manual.
?Select
File > Print .
A standard Print dialog is displayed. Select the page(s) to print, then click OK .
?Click the Thumbnails tab.
Thumbnails of manual pages are displayed.
a.Click the pages you want to print.
b.Right-click to display a shortcut menu, then select Print Pages .
c. A standard Print dialog is displayed; click OK
.Enter this
number.
Do not use
number in
footer of the
manual.Thumbnails
tab
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