title: Kinetic analysis of reactions of Si-based epoxy resins by near-infrared spectroscopy, 13C NMR and soft-hard modelling.
abstract: Soft- and hard-modelling strategy was applied to near-infrared spectroscopy data obtained from monitoring the reaction between glycidyloxydimethylphenyl silane, a silicon-based epoxy monomer, and aniline. On the basis of the pure soft-modelling approach and previous chemical knowledge, a kinetic model for the reaction was proposed. Then, multivariate curve resolution-alternating least squares optimization was carried out under a hard constraint, that compels the concentration profiles to fulfil the proposed kinetic model at each iteration of the optimization process. In this way, the concentration profiles of each species and the corresponding kinetic rate constants of the reaction, unpublished until now, were obtained. The results obtained were contrasted with 13C NMR. The joint interval test of slope and intercept for detecting bias was not significant (alpha=5%).
authors: Department of Analytical and Organic Chemistry, Rovira i Virgili University, Marcel.lí Domingo s/n, 43007 Tarragona, Spain.
authors: Mariano
authors: M
authors: Garrido
authors: Maria Soledad
authors: MS
authors: Larrechi
authors: F Xavier
authors: FX
authors: Rius
authors: Luis Adolfo
authors: LA
authors: Mercado
authors: Marina
authors: M
authors: Galià
mesh_terms: D002247:Carbon Isotopes; D004853:Epoxy Resins / Q000032:analysis* / Q000493:pharmacokinetics; D006244:Hardness; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D012825:Silicon / Q000032:analysis* / Q000493:pharmacokinetics; D019265:Spectroscopy, Near-Infrared / Q000379:methods*
chemical_list: D002247:Carbon Isotopes; D004853:Epoxy Resins; D012825:Silicon