NIST Standard Reference Database 27

NIST Properties of Molten Salts Database

Version 2.0

Single Salts and Salt Mixtures Database
Density, Viscosity, Electrical Conductance, and Surface Tension

Users' Guide

Prepared by:
George J. Janz, Director, Molten Salts Data Center-RPI

Data Compiled/Program Designed and Written by:
MSDC-RPI, Rensselaer Polytechnic Institute,
Troy, New York 12181

January 1992

U.S. Department of Commerce
National Institute of Standards and Technology
Standard Reference Data Program
Gaithersburg, MD 20899-2310

The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgement. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.

© 1991, 1992 copyright by the U.S. Department of Commerce on behalf of the United States. All rights reserved. No part of this database may be reproduced, stored in a retrieval system, or transmitted, in any form or by any means, electronic, mechanical, photocopying, recording, or otherwise, without the prior written permission of the distributor.

ACKNOWLEDGMENTS

Data Evaluators and Compilers:
This database draws on the cumulative results of the NIST-NSRDS Series for Critically Evaluated Molten Salts Data. The following have participated as data evaluators and compilers in this project:

Programmers:
The programmers responsible for Software Design and Development for this PC database are: at RPI, Daniel J. Arnzen, Sean Cox, Ron E. Sperber, and at NIST, Mary E. Dal-Favero.

Sponsorship:
The development and preparation of this PC database series has been a part of a program at the Molten Salts Data Center, Rensselaer Polytechnic Institute. It has been supported by the U.S. Department of Commerce, National Institute of Standards and Technology. Lewis H. Gevantman, Howard J. White, Jr., Malcolm W. Chase, and Jean W. Gallagher are thanked for thoughtful discussions and continued interest throughout the period of this work.

CONTENTS

INTRODUCTION

SYSTEM FEATURES

SYSTEM REQUIREMENTS AND INSTALLATION

Hardware Requirements

Filenames on the Diskette

Program Installation and Execution

USE OF THE DATABASE

Property Selection

Chemical Formula Search

REFERENCES

Appendix A. SAMPLE SESSIONS

CHEMICAL FORMULAE SEARCH, SEARCH RESULTS, CALCULATION ROUTINE

SEARCH BY THE BROWSE OPTION

OUTPUT TO SCREEN, PRINTER, OR FILE

UNITS CONVERSION

Appendix B. LIST OF ABBREVIATIONS AND SYMBOLS USED IN THE DATABASE

Appendix C. CONTACT

INTRODUCTION

The NIST Molten Salts and Salt Mixtures Database is designed to provide engineers and scientists rapid access to critically evaluated data for inorganic salts in the molten state. Properties include density, viscosity, electrical conductance, and surface tension, although not all properties are given for all salts. Properties for approximately 320 single salts and 4,000 multi-component systems are included, the latter being primarily binary. Some data for more complex salt mixtures are also given.

Data have been abstracted from the literature over the period 1890-1990. The primary data sources are the NBS-NSRDS molten salts publications listed in the References Section. These publications give references to the research papers and describe the methods of data evaluation.

SYSTEM FEATURES

For a designated property, data for a specific salt or mixture can be accessed either by CHEMICAL FORMULA search or through a BROWSE ROUTINE. The program also includes several utility routines. The CALCULATION ROUTINE accesses property data at a selected single temperature or generates a table spanning a range of temperatures. The UNITS CONVERSION ROUTINE (within the CALCULATION ROUTINE) enables selection of units other than SI for the output. User-defined conversions can be added.

Generous user assistance is provided. The MESSAGE LINE at the bottom of the screen offers possible menu choices such as: HELP, QUIT, MENU or RETURN.

Results can be sent to a printer for hard copy or to an ASCII file for further manipulations.

SYSTEM REQUIREMENTS AND INSTALLATION

A. Hardware Requirements

The following (or equivalent) fulfill the requirements:

IBM compatible Computer with PC DOS or MS DOS Version 2.1 or later

Memory: 512 Kbytes

3½" Disk Drive. A low-density drive (360 kbytes or 720 kbytes) is sufficient.

VGA or EGA Monitor (Color monitor is preferred, since prompts are in color.)

Storage 1.5 Mbytes (approximately)
Printer Options:

All PC-compatible printers with IBM Character Sets :

Proprinter, Epson, STAR (NX-1000), Seikosha (MP-1300A), Quietwriter: 100% satisfactory; HP LaserJet: minor shortcomings, presumably due to incompatabilities in character sets.

B. Filenames on the Diskette

The database is distributed on one double density 3½" diskette (720 kbytes).

Filename	Length	Filename	Length	Filename	Length
READ.ME	1 K	BRELIRND.G	48 K	HELP.1	3 K
PROP_INI.SEQ	< 1 K	BRELIRND.V	40 K	HELP.2	8 K
BCOND.RND	364 K	BRELIRND.K	96 K	HELP.3	1 K
BSURF.RND	150 K	BRELIRND.D	95 K	HELP.4	2 K
BDENS.RND	321 K	DISCLAIM.TXT	1 K	HELP.5	< 1 K
BVISC.RND	126 K	NEWDATA.DOC	5 K	HELP.6	1 K
MOLTEN.EXE	128 K			HELP.7	10 K
LOGO	1 K			HELP.8	3 K
				HELP.9	2 K

C. Program Installation and Execution

The program and all necessary files are distributed in a compressed format. To install the program, insert the diskette in any floppy drive and type the drive letter":install".

EX: a:install
Follow the directions displayed on your screen. You will be prompted for the drive and directory where you wish to install the database.

To assist the user, sample sessions are available in Appendix A.

USE OF THE DATABASE

A. PROPERTY SELECTION

Following the Title and Disclaimer Screens, the program requests choice of property (density, viscosity, electrical conductance, or surface tension) from a menu by pressing the appropriate letter followed by ENTER.

B. CHEMICAL FORMULA SEARCH

This screen requests choice of search path for the salt or mixture of interest. At this point the user may either designate a specific salt (Ex., NaCl) and press ENTER to complete the command or press "B", which activates the BROWSE ROUTINE (discussed in Section C).

To specify a mixture, enter two or more formulas for the constituents in any order, with HYPHENS as delimiters, and press ENTER. Information is given for all compositions in the database.

For specifying chemical formulas, the program is NOT case-sensitive and ignores all leading, trailing, and imbedded blanks. Numerical subscripts should be given on the same line as the element characters. Thus, for Na₂SO₄, the versions NA2SO4, nA2 so4, na2so4, etc. are all acceptable input.

Parentheses in formulae are acceptable, but they cannot be replaced by square brackets or other separators. For coordinate bonding, the program recognizes an asterisk (*) rather than a filled dot, the more conventional symbol. For example: GaCl3*C5H5N

C. BROWSE ROUTINE

Accessed via the "B" command designated in the message line at the bottom of the chemical search screen, this feature invokes a full-screen display of the salts in the database. Use up arrow

(or PgUp/PgDn) to move through the list or use the JUMP feature: Enter "J" and when prompted, enter the first letter of the chemical formula. To select a salt, place the pointer 'Salt = ' to the left of the list opposite the selected salt and press ENTER.

In some cases, when using the CHEMICAL FORMULA search, the user may reverse the order of constituents in a salt with respect to the order used in the database. (For example, by entering NaCNS instead of NaSCN.) In such circumstances, a search by chemical formula would fail. The user is urged to take time to BROWSE even if a CHEMICAL FORMULA search gives a negative result.

D. RESULTS DISPLAY

Following the selection of the property and the salt or mixture of salts, a screen displays property name, SI units, salt or mixture, correlation equation, accuracy estimate, and temperature range of validity. Where pertinent, the value of R, the universal gas constant, is displayed.

For mixtures, this information is displayed for all compositions given in the database. Compositions may be displayed in Mol % or Wt % by toggling with the letter "W".

With regard to ACCURACY ESTIMATES, the user is cautioned that the values of the numerical parameters in the correlation equations have been entered to more digits than are physically significant for reasons of internal consistency in the statistical curve-fitting procedures. Thus, the accuracy estimates should be noted. In cases involving exponential correlations (e.g., conductance and viscosity), results close to the temperature limits may somewhat exceed the estimated accuracies.

The MESSAGE LINE at the bottom of the RESULTS screen offers the following additional options:

ANOTHER SALT	returns to chemical formula search screen
PRINT	routes results to printer
MENU	returns to the property selection menu at the start of the program
HELP	discussed in more detail in Section H
WT%MOL%	toggles between these two items
QUIT	terminates the program

In cases where results include more than one correlation equation (as for viscosity of NaCl), all or only one equation may be printed. Pressing "P" invokes a new Message Line: To print all the equations on the screen, press "A." To limit capture to one equation only, press "P" to invoke the new message line, press "H" to print the header information, press "P" again, move the highlight to the equation to be printed, and press ENTER.

E. CALCULATION ROUTINE

Once the correlation equation has been located, more detailed information can be generated. Press "C" and ENTER to activate the CALCULATION ROUTINE to compute property data at a selected single temperature or to generate a table spanning a range of temperatures.

When this routine is in use, the input screen displays the following information: salt system, temperature limits for reliable data, the correlation equation, accuracy estimates and reliability statements.

In cases where there is more than one correlation equation, a light bar is activated for use in selecting one of these for calculations. For mixtures, a light bar appears for use in selecting one composition.

The user is asked to enter the temperature with units (if other than Kelvin). Temperatures can be entered in (K)elvin, degrees (C)elsius, or degrees (F)ahrenheit. For a table, the user enters the minimum and maximum temperatures separated by a comma (eg. 1484,1880 F). If the selected temperature(s) falls outside the reliable range, a warning is given. Before the data are displayed, the program requests directions regarding temperature increment and destination of the results (S)creen, (P)rinter, or (F)ile. The latter are discussed in Section G.

All calculations are in SI units. Current units are displayed and acceptance of these is requested. If the current units are not accepted, the UNITS CONVERSION routine (See Section F) is activated. When the units have been accepted, the user is asked to designate the number of significant digits (1 - 7) for the output.

Upon completion of this input, data for the single temperature or a table are displayed on the screen AND transferred to either a printer or ASCII file (see Section G).

F. UNITS CONVERSION

This option is activated from the CALCULATION ROUTINE (Section E) by responding "N" to the prompt "Use Current Units?". For the designated property, alternative units given in Table 1 are displayed. The user selects alternate units by pressing the appropriate number and ENTER. The user may also input and save other units conversions or edit or delete units conversions by following a simple procedure defined on the UNITS CONVERSION screen.

TABLE 1. UNITS CONVERSIONS

For calculations where temperatures are to be input and output in Fahrenheit or Celsius, rather than Kelvin, conversions are initiated simply by adding 'F' or 'C' to the desired temperature range at the prompt in the CALCULATION ROUTINE screen.

Density: SI Units: g cm^-3 (kg m^-3)

1 g cm^-3	=	1000 kg m^-3
	=	62.43 lbs ft^-3 = 0.03613 lbs in.^-3
	=	10.022 lbs per gal. (Br.) = 8.3452 lbs per gal.(US)
	=	3.405E-7 lbs per mil ft.

Viscosity: SI Units: mN s m^-2

1 mN s m^-2	=	1 cp
	=	1 mPa s = .01 poise
	=	2.0886E-5 lbs s ft^-2 = 1.4503E-7 lbs s in.^-2

Electrical Conductance: SI Units: ohm^-1 cm^-1 (ohm^-1 m^-1)

1 ohm^-1 cm^-1	=	100 ohm^-1 m^-1
1 Siemen cm^-1	=	1 ohm^-1 cm^-1

Surface Tension: SI Units: mN m^-1

1 mN m^-1	=	1 dyn cm^-1
	=	0.01 erg mm^-2 = 1 erg cm^-2
	=	2.5901 mg in.^-1

Gas Constant (R): 8.3141 J mol^-1 K¹ = 1.98716 cal mol^-1 K^-1

Temperature (Absolute): &nbs; SI Units: K (kelvin)

°C to K (Celsius to Kelvin): T(K)	=	t(°C) + 273.15
°F to K (Fahrenheit to Kelvin): T(K)	=	( t(°F) + 459.67 ) / 1.8
°F to °C (Fahrenheit to Celsius): t(°C)	=	( t(°F) - 32 ) / 1.8

G. OUTPUT

The output from the CALCULATION ROUTINE is displayed on the screen or printed using the same procedures as described for the results screen (see Section D).

The output can also be routed to an ASCII file by selecting "F" at the prompt. The user is asked to indicate a filename, preferably with the suffix ".DAT." These files are created in the current directory unless otherwise specified. If a file of the name designated already exists, the user may (r)eplace the existing file, (a)ppend the new calculation to the existing file; or by pressing "n" (for new) designate a new file name. The option is given to enter additional comments in the file (60 character maximum).

The data are stored in a two-column format (i.e., as pairs of values with commas as delimiters), with the following header information:

H. HELP SCREENS

The HELP SCREENS can be accessed at most points in the program. Choose one of the following subject areas for expanded information.

1.: Introduction and system features: Contents, philosophy, sources and program features.
2.: Use of the database: Property selection, search strategy, browse, jump, results display, calculation routine, units conversion, output options, help screens.
3.: List of symbols: Symbols and abbreviations for properties and units.
4.: Units and conversions: The default units and conversion factors for the four properties (density, surface tension, electrical conductance, and viscosity) and temperature (Kelvin, Celsius, Centigrade).
5.: Data points: Where data are insufficient for a statistical correlation, results are reported as temperature/property datum pair values.
6.: Accuracy estimates: Numerical accuracy estimates are listed for single salts with the correlation equation. For mixtures, reliability statements are printed out with of the Calculation results.
7.: Data sources and references: The major publications of the NBSNSRDS Molten Salts Data Series and supporting references are summarized.
8.: Background information: Background information and summary of database contents.
9.: Acknowledgments and contacts
0.: Return to Main program

REFERENCES

The data compilations in the NBS-NSRDS Molten Salts Data Series are summarized in Table 2 which gives volume number, publication date, contents, and reference number. The complete references follow in the List of References.

The values recommended in the original publications and revisions have been re-examined and, where appropriate, revised and entered in one compilation [13] and also in this database.

The List of References also includes other publications closely related to the Molten Salts Data Series. Best values recommendations for diffusion data on molten salts media are given in Ref. 14. References 15 and 16 give critically evaluated results for salt systems proposed for energy-related applications. References 17 - 19 are publications concerned with the Molten Salts Standards Program.

TABLE 2. NBS-NSRDS MOLTEN SALTS DATA SERIES

(density, d; surface tension, g; electrical conductance, k; and viscosity, v)

This is an image of Table 2.

LIST OF REFERENCES

Janz, G.J., F.W. Dampier and P.K. Lorenz, "Molten Salts: Vol. 1: Electrical Conductance, Density, and Viscosity," Nat. Stan. Ref. Data Ser., NBS (U.S.) 15, 1 (1968).

Janz, G.J., et al., "Molten Salts Handbook, Vol. 1: Electrical Conductance, Density and Viscosity Data," Russian translation from English, ed. by A. G. Morachevskii (Leningrad), KHIMIA (Chemistry Press), Leningrad USSR: (1972) (Book).

Janz, G.J., Chr. G.M. Dijkhuis, G.R. Lakshminarayanan, R.P.T. Tomkins, and J. Wong, "Molten Salts: Vol. 2.1: Electrochemistry of Molten Salts; Vol. 2.2: Surface Tension Data," NBS-NSRDS-28; (1969).

Janz, G.J., et al., "Molten Salts Handbook, Vol. 2: Thermodynamics and Surface Tensions," Russian translation from English, ed. by A. G. Morachevskii (Leningrad), KHIMIA (Chemistry Press), Leningrad USSR, (1972).

Janz, G.J., U. Krebs, H. Siegenthaler, and R.P.T. Tomkins, "Molten Salts: Vol 3: Physical Properties of Nitrates, Nitrites and Mixtures," J. Phys. Chem. Ref. Data 1, 581 (1972).

Janz, G.J., et al., "Molten Salts Handbook, Vol. 3: Physico-chemical Properties of Binary Nitrate, Nitrite, and Mixed Systems," Russian translation from English, ed. by A.G. Morachevskii (Leningrad), KHIMIA (Chemistry Press), Leningrad USSR, (1974).

Janz, G.J., G. Gardener, U. Krebs, and R.P.T. Tompkins, "Molten Salts Data, Vol. 4, Part 1: Fluorides-Fluorides: Electrical Conductance, Density, Viscosity, and Surface Tension Data," J. Phys. Chem. Ref. Data 3,115 (1974).

Janz, G.J., R.P.T. Tomkins, C.B. Allen, J.R. Downey, Jr., G.L. Gardener, U. Krebs, and S.K. Singer, "Molten Salts Data, Vol. 4, Part 2, Chloride Mixtures," J. Phys. Chem. Ref. Data 4, 871 (1975).

Janz, G.J., R.P.T. Tomkins, C.B. Allen, J.R. Downey, Jr. and S.K. Singer "Molten Salts Data, Vol. 4, Part 3: Bromide-Bromide and Iodide-Iodide Mixtures", J. Phys. Chem. Ref. Data 6, 409 (1977).

Janz, G.J., R.P.T. Tomkins, and C.B. Allen, "Molten Salts Data, Vol. 4, Part 4: Mixed Halide Melts," J. Phys. Chem. Ref. Data 8, 125 (1979).

Janz, G.J., and R.P.T. Tomkins, "Molten Salts Data, Vol. 5, Part 1: Additional Single and Multi-Component Salt Systems," J. Phys. Chem. Ref. Data 9, 831 (1980).

Janz, G.J., and R.P.T. Tomkins, "Molten Salts Data, Vol. 5, Part 2: Additional Multi-Component Salt Systems," J. Phys. Chem. Ref. Data 12, 591 (1983).

Janz, G.J., "Thermodynamic and Transport Properties for Molten Salts: Correlation Equations for Critically Evaluated Density, Surface Tension, Electrical Conductance, and Viscosity Data," J. Phys. Chem. Ref. Data 17, Suppl. 2 (1988).

Janz, G.J., and N.P. Bansal, "Molten Salts Diffusion Coefficients in Single and Multi-Component Salt Systems," J. Phys. Chem. Ref. Data 11, 505 (1982).

Janz, G.J., C.B. Allen, N.P. Bansal, R.M. Murphy, and R.P.T. Tomkins, "Physical Properties Data Compilations Relevant to Energy Storage, Molten Salts: Data on Single and Multi-Component Salt Systems," NSRDS-NBS-61, Part II, 442 pp. (1979).

Janz, G.J., and R.P.T. Tomkins, "Physical Properties Data Compilations Relevant to Energy Storage, Molten Salts: Data on Additional Single and Multi-Component Salt Systems," National Bureau of Standards NSRDS-NBS-61, Part IV, 850 pp., (1981).

Janz, G.J., "Molten Salts Data as Reference Standards for Density, Surface Tension, Viscosity, and Electrical Conductance: KNO3 and NaCl," J. Phys. Chem. Ref. Data, 9, 791 (1980).

Janz, G.J., "Molten Salts: Reference Materials and Calibration Quality Data," Proc. Fourth Japan Symp. Thermophysical Properties, Yokohama, Japan, 199 (1983).

Janz, G.J., "Molten Salts Data: Critical Evaluations," in Proc. Ninth CODATA Conference, Jerusalem, Israel, 381 (1985); P. Glaeser, ed., Elsevier Sci. Publ. Co. (New York).

G. Liu and N.M. Stubina, J. Less-Common Metals 136, 111 (1987).
(YCl3),(KCl-YCl3)

D. Bratland, C.M. Ferro, and T. Ostwald, Acta Chem. Scand. 37, 487 (1983).
(Na3AlF6)

B.M. Voronin and V.D. Prisyazhnyi, Ukr. Khim. Zhur. 46, 229 (1980).
(BaF2, CaF2, MgF2, SrF2)
B.M. Voronin and V.D. Prisyazhnyi, Ukr. Khim. Zhur. 53, 480 (1987).
(Ba,Ca/F); (Ba,Mg/F); (Ba,Sr/F); (Ca,Mg/F); (Ca,Sr/F); (Mg,Sr/F).

K, Kim and D.R. Sadoway, Proc. 7th Internat. Molten Salts Symp.
90-17, 174 (1990).
(CaF2, SrF2)

R.B. Ellis, Prog. Rept. USAEC CT. AT(401)2073 (1959).
(KF-LiF-NaF)

J. Braunstein and G. D. Robbins, Prog. Rept. USAEC ORNL4548, 156 (1970).
(KF-LiF-NaF)

G.W. Mellors and S. Senderoff, Proc. 1st Australian Conf. Electrochem. 578 (1963).
(KF-LiF-NaF)

N.D. Greene, Prog. Rpt. USAEC ORNL-CF-54-8-64, 20 (1954).
(KF-LiF-NaF)

K. Torklep and H.A. Oye, J. Chem. Eng. Data 25, 16 (1980).
(KF-LiF-NaF)

O.N. Mustyalsa, A.A. Velikanov, and G. D. Gudzenko, Ukrain. Khim. Zhur. 36, 1169 (1970).
(Bi2S3)

V.K. Semenchenko and L.P. Shikhobalova, Mineral'noe Syre 11, 27 (1936).
(KC2H3O2; KC3H5O2)

Y. Abe, O. Kosugiyama, and A. Nagashima, J.C.S. Faraday I 76, 2531 (1980).
(KNO3)

T. Ito, N. Kojima, and A. Nagashima, Internat. J. Thermophysics 19, 819 (1989).
(NaCl)

Y. Abe, O. Kosugiyama, and A. Nagashima, Ber. Bunsenges. Phys. Chem. 84, 1178 (1980).
(NaCl)

D.A. Nissen, J. Chem. Eng. Data 27, 269 (1982).
(KNO3-NaNO3, 50-50 mol%).

T. Ejima, E. Nakamura, J.Japan Inst. Metl. Sendai 39, 680 (1975).
(KNO3-NaNO3, 50-50 mol%).

E.L. Krivovyazov, I.D. Sokolova, H.K. Voskresenskaya, J. Appl. Chem. USSR 36, 2458 (1963) Eng. Transl.
(KNO3-NaNO3, 50-50 mol%).

G.J.Janz, Proc. 3rd Internat.Symp.Molten Salts Sci. & Technology (PARIS, 1991).
(CaF2, KNO3, NaCl)

A.E.Van Arkel, E.A.Flood, N.F.H.Bright, Can. J. Chem. 31, 1009 (1953).
(Al2O3, Bi2O3, CaO, CrO3, Cr2O3, Li2O, Li2O-MgO, MgO, Sb2O3, TeO2, ThO2, TiO2, ZrO2)

See NBS-NSRDS Molten Salts Data Series.

N. Araki, et al., Proc. 8th Japan Symp.Thermophysical Properties 8, 1 (1987).
(K2CO3-Li2CO3-Na2CO3)

T. Ejima, et al., J.Chem.Eng.Data 32, 180 (1987).
(K2CO3-Li2CO3-Na2CO3)

A.A.Farmakovskaya, N.P. Zharova; Fiz. Khim. Elektrokhim. Rasplavl. Tverd. Elektrolitov. Tezisy. Dokl. Vses. Konf. Fiz. Khim. Ionnykh Rasplavov Tverd. Elektrolitov 7th 1, 9 (1979).
(LiClO4, LiClO4-LiNO3)

G.A. Bukhalova et al.,Fiz. Khim. Elektrokhim. Rasplavl. Tverd. Elektrolitov. Tezisy. Dokl. Vses. Konf. Fiz. Khim. Ionnykh Rasplavov Tverd. Elektrolitov 7th 1, 12 (1979).
(K2CrO4, Li2CrO4, K2CrO4-Li2CrO4 and binary mixtures with KCl, LiCl).

R.A. Yebekov, B.P.Burilev, Elektrokhim. Rasplavl. Tverd. Elektrolitov. Tezisy. Dokl. Vses. Konf. Fiz. Khim. Ionnykh Rasplavov Tverd. Elektrolitov 7th 1, 18 (1979).
(CoCl2, MnCl2, and binary mixtures with KCl)

Appendix A

SAMPLE SESSIONS
Several sample sessions have been designed to emphasize different features of the program:

Sample Session A.1.	Search by Chemical Formula, Search Results Display, Calculation Routine to give single value or a table of values.
Sample Session A.2.	Search by the Browse Option
Sample Session A.3.	Output to Screen, Printer or File
Sample Session A.4.	Units Conversion

Move to the directory where the database is installed. If you used the default, it is in C:\MOLTEN. Enter "molten" to start the program. Note that user responses are in bold.

This is an image of the copyright screen.

If you press any key, the following screen will appear.

This is an image of the Informational Screen and Disclaimer.

Press a key to proceed with the program.

Sample Session A.1

CHEMICAL FORMULAE SEARCH
SEARCH RESULTS
CALCULATION ROUTINE
This screen is the Main Menu for this program.

Type in "D" and ENTER to select density.

To initiate the Chemical Formulae search, key in "SnCl2-ZnCl2". Any combination of upper and lower cases may be used to designate the salts, but the use of a HYPHEN as a delimiter is essential.

The next screen displays the search results, giving all compositions for which there are results in the database, the correlation equation and the range of temperatures for which it is valid. For single salts, the results screen gives a numerical accuracy statement. For mixtures, an asterisk (*) indicates the existence of reliability statements which can be accessed via the CALCULATION ROUTINE (discussed below).

The message line offers options; to see the compositions of the mixtures as Wt%, press W.

To return the compositions to Mol%, press W again.

To print the search results, see Sample Session A.3.

To enter the CALCULATION ROUTINE, press C. At this point a highlight box appears and the are used to position it to select a specific composition. For example, highlight the 50-50 Mol% Composition and press ENTER.

This is an image of choosing 50-50.

The calculation screen appears summarizing selected information in a box at the top of the screen. Reliability statements and comments follow immediately below the box.

This is an image of the results of choosing 50-50.

Data for the selected property (example, density) can now be calculated at a specific temperature or over a designated range of temperatures. The default temperature units are Kelvins, but Celcius or Fahrenheit can be entered instead by adding a "C" or an "F", respectively, after the desired temperature or range.

FOR THE VALUE AT SINGLE TEMPERATURE: Enter 600 and ENTER. If a temperature scale is not specified, the program defaults to Kelvins.

Before displaying the results, the program requests input:

Destination of output to screen, printer or file. For details on printer and file output, see Sample Session A.3. Here enter "S" for screen.

Designation of output units. For detail of units conversion, see Sample Session A.4. Here enter "Y" to accept default.

Designation of number of significant figures. Enter "4".

Results for a single temperature are printed as the last line of the screen.

This is an image of the results.

Press any key to continue. Then choose "C" to calculate and again select 50-50.

FOR A TABLE OF VALUES OVER A RANGE OF TEMPERATURES: Indicate minimum and maximum temperatures separated by a comma and with units if other than kelvins: ex. 600,650 F. NOTE: Use of a comma between minimum and maximum temperatures is a MUST. In this case, a temperature increment is requested in addition to the other specifications on the results. Enter "10". Also designate results to screen "S"; accept current units, "Y"; and enter the number of significant digits "4". All this is shown in the next screen.

This is an image of entering the data from the above paragraph.

The resulting output screen gives the table requested.

This is an image of the resulting output screen.

Press any key to return to the Results screen. To continue with the sample sessions, press M(enu). To exit the program press "Q" and "Y".

Sample Session A.2

SEARCH BY THE BROWSE OPTION

At the Main Menu, select Density for the property by pressing "D" and ENTER. The following screen will appear:

This is an image of the screen that appears after pressing D.

To browse all salts and mixtures in the database, press "B" and ENTER. The salts list will appear.

This is an image of the salt list.

Page through the list using the PgUp/PgDn keys. On each screen, the pointer 'Salt =' is initially found at the first entry. Move the pointer with the to the salt or mixture of choice and press ENTER, or use the jump feature as shown on the next screen. (If you selected a salt and pressed ENTER, press A(nother Salt) and B(rowse) to return to this sample session.

The JUMP FEATURE provides rapid access. Press "J"; a new message line appears at the bottom of the screen requesting the first letter of the salt of interest.

This is an image of the Jump screen.

For example, to access SnCl2ZnCl2 quickly, press "S" to jump through the list to the first occurrence of salts starting with S.

This is an image of the results of jumping to S.

Use PgDn and down arrow keys to locate the pointer at SnCl2ZnCl2 'Mol % =' 50-50. See next screen.

This is an image of choosing the salt specified in the above paragraph.

Press ENTER.

Using this mode of access, the results screen displays only the composition marked by the pointer, rather than all mixtures of the two constituents as displayed in Sample Session A.1.

This is an image of the results of choosing the salt.

When the Calculation Routine is called up, the reliability statements and comments are not present on the results screen unless the designated salt is the endmember of a series. In this sense, the result via this Browse option is not as complete as that from the Chemical Formulae search.

Sample Session A.3

OUTPUT TO SCREEN, PRINTER, OR FILE

SCREEN

The equation search results are shown on the screen and can also be directed to a printer as described below. The calculations results can be displayed on the screen, screen and printer, or screen and external file.

SEARCH RESULTS TO PRINTER

After completing the search above, the following screen is displayed.

This is an image of the results of choosing the salt. It is the same image
as the last image in subsection A.2.

To print the results, press "P" and ENTER.

To demonstrate a more complex case, request a search for viscosity of NaCl by pressing "M" to return to the properties menu, "V" to request viscosity and enter the salt "NaCl." The results screen shows two equations.

This is an image of the results screen.

To print the entire results screen with both equations, press "P". The message line will change to the following.

This is an image of the screen to select the equations to be printed.

Press "A" for all. The printed results will look like this.

This is an image of the printed results.

To print only one of the equations, at the results screen press "P". The message line will again change to the following.

This is an image of the screen to select the equations to be printed.

Now follow a two-step process:

Press "H" to print the header material. The message line will again return to the following.

This is the message line after selecting H.

Press "P" and a highlight will appear. Move the highlight to the equation you want to print (for example, the second equation) and press ENTER.

The printed results for a single equation will then look like this.

This is an image of the printed results.

CALCULATIONS RESULTS TO PRINTER

For this example press M(enu), D(ensity), ENTER, nacl, ENTER, and C(alculate).

After the calculation routine is called and the temperature range is specified, the program requests instructions as to the destination of the output. To print the output, press "P" and ENTER.

This is an image of getting ready to print.

After accepting current units and designating 4 significant figures, the printed table looks like this.

This is an image of the printed results.

This table is also displayed on the screen.

CALCULATION RESULTS TO FILE

Now press any key, then press C(alculate) and enter the temperature range and increment as before. To send the output to a file, press "F".

This is an image of choosing to send the output to a file.

The program requests a filename. Type in the name of the destination file including another drive and/or directory, if desired.

This is an image of choosing the file to which the output will be saved.

After accepting current units and designating 4 significant figures, the program will request entry of an additional comment to be added to the output file. Type in "This is a sample session."

This is an image of writing in the comments.

The output file requested will look like this:

This is an image of the output file.

The calculation results will also appear on the screen.

If a file of the designated name already exists, a warning message will appear:

This is an image of the warning message.

The user may choose to replace (overwrite) the file by pressing "r" and ENTER; alternately, the user may apend the new data to the existing file by pressing "a" and ENTER. Finally, the user may designate another (new) filename by typing "n" and ENTER, in which case the program will offer an opportunity to type in another file name.

Press any key to continue with the sample sessions.

Sample Session A.4

UNITS CONVERSION

After doing a search for NaCl density, enter the Calculation Routine as above. Respond to "Use Current Units (y/n)?" with an "N".

This is an image of choosing N.

The following screen appears showing the alternative units available in the program.

This is an image of the alternative units.

Press "2" to select lb ft^3. The program requests confirmation of your choice of units.

This is an image of confirming the units.

After accepting these units and designating "4" significant figures, the results are displayed in lb ft^3.

This is an image of the adjusted results.

TO MODIFY ONE OF THE LISTED UNITS CONVERSIONS

At the Units Conversion screen, press "E". The following message appears at the bottom of the screen.

Enter Unit number to edit (X to eXit, R to Return to Program)?

To change the conversion factor for lb. ft^3, press "2" and ENTER. The following screen appears. Confirm that this is the conversion you want to change by pressing "Y" and ENTER. Type in the preferred conversion with units in the space supplied.

This is an image of screen for confirmation.

Press ENTER. The change requested is displayed with a request for confirmation of the change.

This is an image of another confirmation screen.

Press X and ENTER to return to the UNITS CONVERSION screen.

Units Conversions choices are again displayed with the edited factor for conversion 2.

This is an image of the new conversion routine.

Again choose conversion to lb. ft^3 by pressing "2" and ENTER and follow through to the table. The output table will reflect the revised conversion factor.

This is an image of the new table.

The edited conversion factor will be saved when the program is exited.

TO ADD A NEW UNITS CONVERSION

Follow the steps to reach the Units Conversion screen.

This is an image to of the original units conversion screen.

Press "A" and the following screen will appear.

This is an image of the screen after pressing A.

Type in the conversion to be added to the list.

This is an image of the entering the conversion.

After pressing "Y" and ENTER to confirm, the new conversion will have been added as another option. Select the option you added or any other on the list.

This is an image of the new Units Conversion screen.

TO DELETE A UNITS CONVERSION FROM THE LIST

Follow the steps to reach the Units Conversion screen.

This is an image of the new Units Conversion screen.

Press "E" to edit conversions on the list. The following message appears at the bottom of the screen.

Enter Unit number to edit (X to eXit, R to Return to Program)?

Press "4" and ENTER, the number of the conversion to be deleted. The following screen appears.

This is an image of the screen after pressing D.

Press "D" ENTER, and "Y" ENTER in response to the question "Delete this conversion (y/n)?".

The conversion has been removed from the list of options.

This is an image of the original Units Conversion screen.

Appendix B

LIST OF ABBREVIATIONS AND SYMBOLS
USED IN THE DATABASE

Abbreviation	Physical Quantity	Units
d	Density	g cm^-3
v	Viscosity	mN s m^-2
k	Electrical Conductance	ohm^-1 cm^-1
g	Surface Tension	mN m^-1
R	Gas Constant	J mol^-1 K^-1
m	Length	meter
N	Newton	J m^-1
Pa	Pascal	N m^-2
S	Siemen	ohm^-1
s	Time	second
E	Energy of Activation	J mol^-1

T	Temperature
K	kelvins	kelvin
°C	degrees Celsius	Celsius
°F	degrees Fahrenheit	Fahrenheit

Footnote: The editorial caret symbol is used throughout this work to indicate superscripts.

Appendix C

CONTACT

For questions or comments about this database, or Standard Reference Data, or for any problems with the diskettes or installation, contact:

Last updated: August 25, 1997