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Pure Appl. Chem., 2005, Vol. 77, No. 8, pp. 1349-1367

http://dx.doi.org/10.1351/pac200577081349

Global communications and expert systems in thermodynamics: Connecting property measurement and chemical process design

M. Frenkel

Thermodynamics Research Center (TRC), National Institute of Standards and Technology (NIST), 325 Broadway, Boulder, CO 80305-3328, USA

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  • Diky Vladimir, Chirico Robert D., Muzny Chris D., Kazakov Andrei F., Kroenlein Kenneth, Magee Joseph W., Abdulagatov Ilmutdin, Kang Jeong Won, Gani Rafiqul, Frenkel Michael: ThermoData Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. 8. Properties of Material Streams and Solvent Design. J. Chem. Inf. Model. 2013, 53, 249. <http://dx.doi.org/10.1021/ci300470t>
  • Diky Vladimir, Chirico Robert D., Muzny Chris D., Kazakov Andrei F., Kroenlein Kenneth, Magee Joseph W., Abdulagatov Ilmutdin, Frenkel Michael: ThermoData Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. 9. Extensible Thermodynamic Constraints for Pure Compounds and New Model Developments. J. Chem. Inf. Model. 2013, 53, 3418. <http://dx.doi.org/10.1021/ci4005699>
  • Kazakov A., Muzny C. D., Kroenlein K., Diky V., Chirico R. D., Magee J. W., Abdulagatov I. M., Frenkel M.: NIST/TRC SOURCE Data Archival System: The Next-Generation Data Model for Storage of Thermophysical Properties. Intern J Thermophys 2012, 33, 22. <http://dx.doi.org/10.1007/s10765-011-1107-7>
  • Diky Vladimir, Chirico Robert D., Muzny Chris D., Kazakov Andrei F., Kroenlein Kenneth, Magee Joseph W., Abdulagatov Ilmutdin, Kang Jeong Won, Frenkel Michael: ThermoData Engine (TDE) Software Implementation of the Dynamic Data Evaluation Concept. 7. Ternary Mixtures. J  Chem Inf Model 2012, 52, 260. <http://dx.doi.org/10.1021/ci200456w>
  • Erkimbaev A. O., Zhizhchenko A. B., Zitserman V. Yu., Kobzev G. A., Son E. E., Sotnikov A. N.: Integration of databases on substance properties: Approaches and technologies. Autom. Doc. Math. Linguist. 2012, 46, 170. <http://dx.doi.org/10.3103/S000510551204005X>
  • Huber Marcia L., Bruno Thomas J., Chirico Robert D., Diky Vladimir, Kazakov Andrei F., Lemmon Eric W., Muzny Chris D., Frenkel Michael: Equations of State on Demand: Application for Surrogate Fuel Development. Int J Thermophys 2011, 32, 596. <http://dx.doi.org/10.1007/s10765-010-0909-3>
  • Kroenlein Kenneth, Muzny Chris D., Diky Vladimir, Kazakov Andrei F., Chirico Robert D., Magee Joseph W., Abdulagatov Ilmutdin, Frenkel Michael: ThermoData Engine (TDE): Software Implementation of the Dynamic Data Evaluation Concept. 6. Dynamic Web-Based Data Dissemination through the NIST Web Thermo Tables. J Chem Inf Model 2011, 51, 1506. <http://dx.doi.org/10.1021/ci200096q>
  • Frenkel Michael, Chirico Robert D., Diky Vladimir, Brown Paul L., Dymond John H., Goldberg Robert N., Goodwin Anthony R. H., Heerklotz Heiko, Königsberger Erich, Ladbury John E.: Extension of ThermoML: The IUPAC standard for thermodynamic data communications (IUPAC Recommendations 2011). PureAppl Chem 2011, 1. <http://dx.doi.org/10.1351/PAC-REC-11-05-01>
  • Kobzev G. A., Fokin L. R., Erkimbaev A. O., Zitserman V. Yu.: The logical structure of physicochemical data: Problems of numerical data standardization and exchange. Russ J Phys Chem 2008, 82, 15. <http://dx.doi.org/10.1134/S0036024408010020>
  • Yerkimbaev A. O., Zitserman V. Yu., Kobzev G. A.: The role of metadata in the creation and application of information resources on the properties of substances and materials. Sci Tech Inf Proc 2008, 35, 247. <http://dx.doi.org/10.3103/S0147688208060038>
  • Frenkel Michael: From molecular insights and chemical technologies to communications and expert systems: A few short thermodynamic stories. K J CHEM THERMODYN 2007, 39, 169. <http://dx.doi.org/10.1016/j.jct.2006.07.029>