U.S. flag

An official website of the United States government

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.

PUBLICATIONS

ThermoData Engine (TDE) Version 9.0 (Pure Compounds, Binary Mixtures, Ternary Mixtures, and Chemical Reactions); NIST Standard Reference Database 103b

Published

Author(s)

Michael D. Frenkel, Robert D. Chirico, Vladimir Diky, Kenneth Kroenlein, Chris Muzny, Andrei F. Kazakov, Joe W. Magee, Ilmutdin M. Abdulagatov, Eric Lemmon, Jeongwon Kang

Abstract

The ThermoData Engine is a software expert systems implementing the concept of dynamic data evaluation. This new release includes implementation of three important new features: (1)new parameters for the NIST "modified UNIFAC" method for predictions of phase equilibrium data, (2) the NIST-COSMO-SAC prediction method for phase equilibrium properties, and (3) stored pre-evaluations for pure component properties for repid access to critically evaluated data.
Citation
Standard Reference Database 103b
Pub Type
Others

Keywords

dynamic data evaluation, thermodynamic properties, transport properties, critical evaluation, phase equilibrium, critically evaluated data, on-demand evaluation
Thermodynamics

Citation

Frenkel, M. , Chirico, R. , Diky, V. , Kroenlein, K. , Muzny, C. , Kazakov, A. , Magee, J. , Abdulagatov, I. , Lemmon, E. and Kang, J. (2014), ThermoData Engine (TDE) Version 9.0 (Pure Compounds, Binary Mixtures, Ternary Mixtures, and Chemical Reactions); NIST Standard Reference Database 103b, Standard Reference Database 103b (Accessed April 26, 2024)

Created December 30, 2014, Updated October 12, 2021