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ASAP2050 Operator's Manual(5)

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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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