R -- Sole Source Notification - Services to Support Thermodynamics Research Center

The National Institute of Standards and Technology (NIST) intends to negotiate with only one source, Dr. Xinjian Yan of Thornton, CO 80241. NIST intends to procure Dr. Yan's services for expansion and enhancement of the Thermodynamics Research Center (TRC) databases and software tools for thermophysical property data prediction using various group contribution and correlation models of organic compounds at NIST. Other services to be provided include: (a) Implementation of the TRC data quality assurance program (b) Preparation and modification of search options and the interface if necessary, of the annual updates of the following TRC PC databases and systems: SOURCE, TABLE, COMPOUNDS and DENSITY (c) Combination of the developed procedures with software implementing Dynamic Data Evaluation concept developed at TRC (d) Preparation of the documentation describing developed computer codes and (e) Training of TRC staff in use of the developed procedures for the preparation of the updates of the TRC PC databases. General skills involve computer programming and database design and management skills combined with extensive experience in chemical thermodynamics, thermophysics, chemistry and chemical engineering. Specialized experience skills include demonstrated familiarity with the TRC database systems and in particular TRC SOURCE and other TRC PC data tools. SOURCE is a major relational archival system developed and maintained by the TRC to store "raw" experimental data for thermophysical, thermochemical and transport properties of pure compounds, binary and ternary systems as well as chemical reactions. SOURCE is also used as a powerful tool to produce various compilations and critical evaluations of data in both hard-copy and electronic forms. The TRC currently maintains a master SOURCE database in Oracle format on a Unix server, and has been updating PC access to this information. This database in its PC format is updated annually. In addition, there are TRC TABLE databases for hydrocarbon and non-hydrocarbon systems that are updated annually. There are databases for compounds, vapor pressures, density and virial coefficients which are being updated as well. TRC produces data books each year on special topics. The databases contain information for approximately 16,902 pure components, 10,748 binary mixtures, 83,536 references, and a total of approximately 2.14 million records. The TRC SOURCE database is the world's main repository for evaluated experimental data on the thermophysical properties of fluids. It is the outgrowth of the database started in 1942 by Dr. F. D. Rossini at the National Bureau of Standards as part of the American Petroleum Institute Project 44 for the collection, evaluation and dissemination of property data on hydrocarbons. The database was moved to the Carnegie institute of Technology in Pittsburgh in 1955 and then to Texas A&M University in 1961. Currently, evaluated data are added at the rate of approximately 300,000 data points per year. The types of data include the enthalpies of transition in condensed phases, solubilities and Henry's Law constants of organic compounds in water, virial coefficients of pure gases and gas mixtures, etc. The databases can be used to find particular properties of specific substances, create lists of substances with sets of properties in specified ranges and perform virtual experiments on systems in an attempt to create fluids with particular properties. These are used in the chemical industry, the petrochemical industry and the pharmaceutical industry, as well as for specific applications related to aerospace, food science, environmental science, etc. Dr. Yan has the current experience, expertise and the unique combination of skills to provide solutions for all services associated with the TRC requirement. Dr. Yan has been involved in the development and production of the TRC data systems since 1999. Dr. Yan is the main developer of the various TRC PC databases. Dr. Yan has carried out most of the responsibilities related to the regular updates of such TRC data products as SOURCE data system, TABLE database, DENSITY database, Vapor Pressure database, COMPOUNDS database and others. Dr. Yan has also previously participated in the development of a number of software products which have been used to enhance the existing TRC products. He has also developed a number of the software tools to analyze and implement various group contribution and correlation methods of prediction of thermophysical property data. The conventions for storing and describing numerical data values (intensive and extensive properties, variables of state, association of properties with phases, functional form of properties, state conventions, dimensions and units, data records and sets, data uncertainties) are unique to this database, but are quite familiar to Dr. Yan. The scheme must be appropriately related to the 33 distinct tables that comprise the TRC Source database. The implementation of the Dynamic Data Evaluation concept that TRC is currently working on requires expansion of the existing PC SOURCE data system to make the data available for their consistent simultaneous processing. This development makes it absolutely necessary for someone pursuing it to have deep knowledge of both TRC SOURCE data system structure as well as the structure and detail computer code comprising the TRC PC SOURCE data system. Any lapse in the quality, continuity and schedule for the TRC data products would be detrimental to NIST and to the users of this information. This notice is for informational purposes only. No formal solicitation will be issued. See Note 22.