Dynamic equation of state evaluation with ThermoData Engine

CINF 20

Chris D. Muzny, chris.muzny@nist.gov1, Eric W. Lemmon, ericl@boulder.nist.gov1, Robert D. Chirico, chirico@boulder.nist.gov2, Vladimir Diky, diky@boulder.nist.gov2, Qian Dong3, and Michael Frenkel, frenkel@boulder.nist.gov2. (1) Physical and Chemical Properties Division, National Institute of Standards and Technology, 325 Broadway, Boulder, CO 80305-3328, (2) Thermodynamics Research Center (TRC), National Institute of Standards and Technology (NIST), Mailstop 838.00, 325 Broadway, Boulder, CO 80305, (3) Scientific Information Center, 564 E 130th Way, Denver, CO 80241
ThermoData Engine (TDE) is a software tool recently released by the Thermodynamics Research Center at the National Institute of Standards and Technology that for the first time implements the concept of dynamic data evaluation for thermodynamic property data. In this talk we will present an extension of TDE that implements the dynamic data evaluation concept for pure fluid equations of state. We will detail the performance of TDE in comparison to established equations of state based on individual static data evaluations. The specific equations of state we compare against are those presented in NIST REFPROP, a software tool that delivers recent, state-of-the-art equations of state for over 80 fluids. Full implementation of the dynamic data evaluation concept requires continuous acquisition and storage of new data. Toward this end we will also present an extension of TDE that allows for on-demand TDE local database updates from a central server.
 

Advances in Data-mining and Analysis: Informatics Perspective
8:00 AM-11:00 AM, Monday, 29 August 2005 Washington DC Convention Center -- 151B, Oral

Division of Chemical Information

The 230th ACS National Meeting, in Washington, DC, Aug 28-Sept 1, 2005