Applying Response Modeling Methodology to Model Temperature-Dependency of Vapor Pressure

摘要

In modeling chemical properties, theory-based relationships often represent available data accurately. However, when goodness-of-fit is not satisfactory, empirical modeling is called for. Recently, a new empirical modeling methodology has been developed, denoted Response Modeling Methodology (RMM). The new approach is intended to model monotone convex relationships. In this paper we apply RMM to model the temperature dependence of vapor pressure. The resulting models are compared to well-known and widely used property correlation equations. These include the "Acceptable Models", currently recommended by DIPPR and models recommended by "Table Curve", a dedicated empirical modeling software. Recently developed methodologies for data-based comparison of models are employed to select the best model. Results show that RMM can represent satisfactorily curves of different shapes. Further research would extend the results introduced to other combinations of chemical properties and substances.