| 摘要 |
PURPOSE: A scaled variable reduced coordinate(SVRC) model for predicting the vapor viscosities of pure compounds is provided to save costs and times required for experiments by predicting reliable vapor viscosities of compounds with unknown experimental conditions. CONSTITUTION: Experimental data for hydrocarbon-based compounds is input. Molecular descriptors for the vapor viscosities of the hydrocarbon-based compounds are prepared. Parameters required for an SVRC formula are obtained. A quantitative structure-property relationship(QSPR) model with respect to the vapor viscosity at a critical point, which is one of the parameters, is established. The prediction performance of the model is tested based on the experimental data. If the result satisfies the test, the predicted vapor viscosities to the model is adopted as the vapor viscosities. Unless the result satisfies the test, the QSPR model establishing process and the testing process are repeated. |
