NIST Scientific and Technical Databases New and Updated Databases

The NIST Standard Reference Data Group is continuously adding to its sets of evaluated numeric data by updating current databases and developing new databases. The interactive access, available for many products, is also updated on a regular basis.

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NIST Standard Reference Database Database 1

NIST 08 includes a fully evaluated collection of electron-ionization mass spectra. It is the product of a 21-year effort by a team of experienced mass spectrometrists in which each spectrum has been examined for correctness. This release contains an expanded MS/MS Library and new Retention Index data.

Contents of the NIST/EPA/NIH (NIST 08) Mass Spectral Library
Library Name	Library Description	Library Contents
mainlib	Main EI MS library	191,436 spectra
replib	Replicate spectra	28,307 spectra
nist_salts	EI Salt Library	717 spectra
nist_msms	MS/MS Library	14,802 spectra of 3,898 positive and 1,410 negative ions
nist_ri	Retention Index Library	293,247 Kovats RI values for 44,008 compounds

NIST Standard Reference Database Subscripton Database 1

NIST X-ray Photoelectron Spectroscopy Database: Version 4.0

Version 4.0 of the NIST X-ray Photoelectron Spectroscopy Database contains over 29,000 data records, an increase of 6,844 data records from Version 3.4. For the newly added records, considerable information is supplied about the specimen materials (e.g., specimen morphology and methods of specimen preparation, processing, and characterization), XPS measurement conditions (e.g., type of X-ray source and whether an X-ray monochromator was utilized), and XPS data analysis (e.g., background-subtraction method, peak-location method, and line widths).

The new data records originated from an evaluation of over 5,000 scientific papers that were published generally between 1993 and 1996. Data are given for the positions of photoelectron lines, chemical shifts, doublet splittings, and surface and interface core-level shifts. In addition, data are provided for the kinetic energies of Auger lines measured in an XPS spectrum and for Auger parameters.

NIST Standard Reference Subscription Database 2 Web Thermo Tables (WTT) - Lite Edition

WTT - Lite Edition, a Web version of the TRC Thermodynamic Tables, represents a collection of critically evaluated thermodynamic property data for 150 commonly-used (primarily organic) pure compounds. References to experimental data sources and information and methodology related to the evaluations can be found in these hard-copy publications:

TRC Thermodynamic Tables - Hydrocarbons
Editor M. Frenkel
National Institute of Standards and Technology
Boulder, CO

Standard Reference Data Program
Publication Series NSRDS-NIST- 75 (1942-2007)
Gaithersburg, MD

TRC Thermodynamic Tables - Non-Hydrocarbons
Editor M. Frenkel
National Institute of Standards and Technology
Boulder, CO
Standard Reference Data Program
Publication Series NSRDS-NIST- 74 (1955-2007)
Gaithersburg, MD

Various search options based on compound information (empirical formula, partial name, molecular weight) as well as specific property requests are provided. Data presentation features an interactive Web interface with hierarchical expanding/contracting tabular panel structure. Interactive data plotting capabilities are also provided. Unlimited data retrieval and their local storage and use are permitted.

NEW

NIST Standard Reference Subscription Database 3 Web Thermo Tables (WTT) - Professional Edition

WTT - Professional Edition, a Web version of the TRC Thermodynamic Tables, represents a complete collection of critically evaluated thermodynamic property data primarily for pure organic compounds. As of September, 2007, WTT contains information on 7765 compounds. References to experimental data sources and information and methodology related to the evaluations can be found in these hard-copy publications:

NIST Standard Reference Database 23
NIST Reference Fluid Thermodynamic and Transport Properties Database (REFPROP): Version 8.0

REFPROP 8.0 has replaced the NIST 12 and 14 databases
Version 8.0 expands the capability of the REFPROP database. New features include:

Many additional fluids and mixtures

Updated and improved models for many fluids and mixtures

Greatly expanded support for natural gas systems, including:
- addition of the AGA8 mixture model for natural gas fluids
- addition of the GERG-2004 mixture model for natural gas fluids, which includes binary interaction parameters for the following fluids: argon, butane, carbon monoxide, carbon dioxide, ethane, helium, heptane, hexane, hydrogen, isobutane, isopentane, methane, nitrogen, octane, oxygen, pentane, propane, and waterNew dielectric correlations for many fluids
Convergence is now faster, and the number of nonconvergences has been substantially reduced
Addition of enthalpy derivatives with respect to temperature, pressure, and density
The ability to select a set of fluids, with all others removed from list
- predefined lists have been set up for typical refrigerants, natural gas fluids, cryogens, and calibration fluids
- users can modify these lists or make their ownThe fluids screen can be sorted on fluid name, CAS #, chemical formula, synonym, or UN number
The ability to add or remove a fluid in an existing mixture
Fluid search menu to find fluids that match a certain criteria, such as critical point properties, the vapor pressure at the boiling point, or the liquid density at the boiling point

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Create Date: 6/02
Last Update: Thursday, 31-Jul-08 09:56:34
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