NIST Standard Reference Database 103

NIST/ThermoData Engine Database

Version 2.0

Users’ Guide
CD ROM Database

Authors:

September 2006

U.S. Department of Commerce
Technology Administration
National Institute of Standards and Technology
Standard Reference Data Program
Gaithersburg, Maryland 20899

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 judgment. 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.

©2006 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. 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.

OVERVIEW

ThermoData Engine is the first product fully implementing all major principles of the concept of dynamic data evaluation formulated at NIST/TRC. This concept requires the development of large electronic databases capable of storing essentially all 'raw' experimental data known to date with detailed descriptions of relevant metadata and uncertainties. The combination of these databases with expert software designed primarily to generate recommended data based on available 'raw' experimental data and their uncertainties leads to the possibility of producing data compilations automatically 'to order' forming a dynamic data infrastructure. The NIST/TRC SOURCE data archival system currently containing more than 1.5 million experimental data points is used in conjunction with ThermoData Engine as a comprehensive storage facility for experimental thermophysical and thermochemical property data.

The ThermoData Engine software incorporates all major stages of the concept implementation, including data retrieval, grouping, normalization, sorting, consistency enforcement, fitting, and prediction. The ThermoData Engine emphasizes enforcement of consistency between related properties (including those obtained from predictions), provides for flexibility in selection of default data models depending on the particular data scenario, incorporates a large variety of models for secondary fitting, and allows saving of critically evaluated data in the ThermoML format. The latter assures compatibility of the ThermoData Engine with any engineering application equipped with a ThermoML software 'reader'.

Table of Contents

• Purpose of TDE
• Main Form
• How the Program Works
  • Evaluation Sequence
  • Compound Selection
  • Review/Edit Expt Data
  • Add User Data
  • Evaluation
  • Review Plots
  • Review/Request Eval Data Tables
  • Review/Request Fitting Equations
  • Save Results
• Navigation Tree
  • Compound
  • Expt and Predicted Data
  • Default Representations
  • Property Consistency
  • Evaluated Data
  • Alternative Equations
  • Equations of State
  • Calculated with EOS
• Data Tables
  • Data Tables (General Info)
  • Bibliographic Information (Data Source)
  • Sort Data
  • Select Data Set (or Single Value)
  • Plot Data
  • Add Data (By user)
• Plots
  • Plot: General Info
  • Plot Tools: 1-Variable Data
  • Plot Tools: 2-Variable Data
  • Plot: Right-Click Features
• Property Equation Descriptions
  • Vapor Pressure
  • Sublimation Pressure
  • Crystal-Liquid boundary
  • Density (sat liquid)
  • Density (sat vapor)
  • Density (liquid- 1 phase)
  • Density (gas- 1 phase)
  • Enthalpy of Vaporization
  • Heat Capacity (Csat- crystal)
  • Heat Capacity (Csat- liquid)
  • Heat Capacity (Ideal Gas)
  • Speed of Sound (liquid)
  • Speed of Sound (gas)
  • Refractive Index (liquid)
  • Surface Tension
  • Viscosity (sat liquid)
  • Viscosity (gas)
  • Thermal Conductivity (sat liquid)
  • Thermal Conductivity (gas)
• Property Equation Parameters
  • Eq Parameter Definitions
  • Eq Parameter O/P
• EOS: Fitting and Exploration
  • EOS Fitting Process
  • EOS Control Center
• EOS: Equations Supported in TDE
  • Span-Wagner
  • PC-SAFT
  • Modified Sanchez-Lacombe
  • Translated Peng-Robinson
• EOS: Comparisons (Read Only)
  • REFPROP (Read Only)
  • TDE Generated (Read Only)
• Uncertainties
  • Uncertainties in Tables & Plots
  • Uncertainty Definitions
• TDE-SOURCE Data Archive
  • Web Updates
  • Database Version Control
  • Show TDE-SOURCE Version
• Structure Drawing
• Output Files & Formats
• Prediction Methods in TDE
• Glossary of Terms in TDE
• ThermoML- IUPAC Standard
• FAQ

CONTACTS

If you have comments or questions about the database, the Standard Reference Data Program would like to hear from you. Also, if you should have any problems with the CD-ROM, please let us know by contacting:

Joan Sauerwein
National Institute of Standards and Technology
Standard Reference Data
Building 820, Room 102
Gaithersburg, MD 20899
Internet: Contact Us
Phone: (301) 975-2208 FAX: (301) 926-0416

For scientific questions, contact:
Dr. Michael L. Frenkel,                     
National Institute of Standards and Technology
  Physical and Chemical Properties               
Mailcode 838.00
325 Broadway
Boulder, CO 80305-3328
Internet: frenkel@boulder.nist.gov
Phone: (303) 497-3952

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