Доклад на 20 Международной конференции по химической термодинамике (Варшава, 2008)
Factual data banks and their application to the
synthesis and design of chemical processes
and the development and testing of
thermophysical property estimation methods
Jurgen Rarey and Jurgen Gmehling
Pure & Applied Chemistry, 2009, Vol. 81, No. 10, pp. 1745-1768
Factual data banks nowadays play an important role as a source for thermo physical property data for use in chemical process simulation, environmental models, and many other computer-based applications. In this work, the historical developments leading to modern factual data banks, the differences compared to other more bibliographically oriented data banks, and their most important applications and future potential will be discussed by using the example of the Dortmund Data Bank (DDB). As the development of the different predictive models for mixtures is covered in a separate publication, this paper focuses on pure-component property estimation, regression of model parameters, test and verification of model parameters prior to process simulation, and advanced topics in process synthesis such as selection of entrainers and data-mining applications.