Principal properties for gases and ionic liquids (ILs) were used as descriptors to model gas solubility in ILs by means of data-driven approaches such as partial least squares (PLS) and orthogonal PLS (OPLS). Satisfactory PLS predictions, spanning above 3 log units, can be easily achieved using a nine parameters equation, while disjoint OPLS models for different gases, namely hydrocarbons, neutral and acidic ones, allow more accurate predictions

Data-Driven Modelling of Gas Solubility in Ionic Liquids Using Principal Properties as Orthogonal Descriptors

Paternò, Alessio;Fortuna, Cosimo G.;Musumarra, Giuseppe;Scirè, Salvatore
2018

Abstract

Principal properties for gases and ionic liquids (ILs) were used as descriptors to model gas solubility in ILs by means of data-driven approaches such as partial least squares (PLS) and orthogonal PLS (OPLS). Satisfactory PLS predictions, spanning above 3 log units, can be easily achieved using a nine parameters equation, while disjoint OPLS models for different gases, namely hydrocarbons, neutral and acidic ones, allow more accurate predictions
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/20.500.11769/319310
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