Topical 7: Product Design | |||
| Session 304 - Property Estimation and Modeling for Product Design | |||
| To be commercially successful, chemical products must be designed to possess a wide range of physical properties. These properties range from performance properties such as the solvency of solvents, the enthalpy of vaporization of refrigerants and the rheology of foods to safety and environmental properties such as the flash points of adhesives, the biodegradability of antifreeze and the aquatic toxicity of detergents. Determining these properties for the large number of candidates typically examined during a product design is a challenging problem. Because experimental determination is expensive and time consuming and thus seldom justified at an early development stage, physical property estimation techniques are commonly used to evaluate and screen proposed products. We welcome presentations on the use of physical property estimation techniques in the field of chemical product design. While all relevant papers are welcome we are particularly interested in discussions on the estimation and correlation of properties for products containing complex mixtures, complex molecules or multiple phases. The emphasis should be on novel methods or novel applications of existing methods for predicting (even with low accuracy) product behavior. | |||
| Chair: | Kevin G. Joback | ||
| CoChair: | Rafiqul Gani | ||
| CoSponsor(s): | Thermodynamics and Transport Properties Systems and Process Design Process Development Division | ||
| Introductory Remarks | |||
| 304a | Rigorous and Exact: the “What Not to Teach” of Property Estimation Kenneth R. Cox | ||
| 304b | Unified Physical Property Estimation Relationships-Upper Samuel H. Yalkowsky | ||
| 304c | Prediction of Glass Transition Temperature Using Hybrid Neural Networks Shivani Syal, James M. Caruthers, Venkat Venkatasubramanian | ||
| 304d | Speadmd Correlation and Prediction of Transport Properties to Facilitate Chemical Process and Product Design J. Richard Elliott, Zeynep N. Gerek, Neil H. Gray | ||
| 304e | Multiscale Property Modeling for Design of Polymer Based Products Vipasha Soni, Jens Abildskov, Gunnar Jonsson, Rafiqul Gani, Nikos Ch. Karayiannis, Vlasis Mavrantzas | ||
| 304f | A System for Thermophysical Data Analysis and Optimization David J. Van Peursem, Gang Xu, Francisco Braña-Mulero, Prashant Karbhari | ||
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