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Showing 1 to 2 of 2 for “"Thermodynamic property prediction"”.
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Thermodynamic Property Prediction for Solid Organic Compounds Based on Molecular Structure
… for the design of all process units. Reliable property prediction methods are essential because reliable experimental data are often not available due to concerns about measurement difficulty, cost, scarcity, safety, or environment. In particular, there is a lack of prediction methods for solid …
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Evaluation of Knox group contribution parameters using quantum based molecular and group properties
Thermodynamic property prediction through the group contribution methods has been improving. However, the approaches considered in the past present not only limitations on the physical basis but often have restrictions as to certain substances, such as isomers. A new group contribution method is …