title: Validation of the concentration profiles obtained from the near infrared/multivariate curve resolution monitoring of reactions of epoxy resins using high performance liquid chromatography as a reference method.
abstract: This paper reports the validation of the results obtained by combining near infrared spectroscopy and multivariate curve resolution-alternating least squares (MCR-ALS) and using high performance liquid chromatography as a reference method, for the model reaction of phenylglycidylether (PGE) and aniline. The results are obtained as concentration profiles over the reaction time. The trueness of the proposed method has been evaluated in terms of lack of bias. The joint test for the intercept and the slope showed that there were no significant differences between the profiles calculated spectroscopically and the ones obtained experimentally by means of the chromatographic reference method at an overall level of confidence of 5%. The uncertainty of the results was estimated by using information derived from the process of assessment of trueness. Such operational aspects as the cost and availability of instrumentation and the length and cost of the analysis were evaluated. The method proposed is a good way of monitoring the reactions of epoxy resins, and it adequately shows how the species concentration varies over time.
authors: Department of Analytical and Organic Chemistry, Faculty of Chemistry, Rovira i Virgili University, Marcel-lí Domingo s/n, 43005 Tarragona, Spain.
authors: M
authors: M
authors: Garrido
authors: M S
authors: MS
authors: Larrechi
authors: F X
authors: FX
authors: Rius
mesh_terms: D000814:Aniline Compounds / Q000737:chemistry; D002138:Calibration; D002845:Chromatography / Q000379:methods; D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D004853:Epoxy Resins / Q000737:chemistry*; D008956:Models, Chemical; D015233:Models, Statistical; D015999:Multivariate Analysis; D010647:Phenyl Ethers / Q000737:chemistry; D012015:Reference Standards; D015203:Reproducibility of Results; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods; D019265:Spectroscopy, Near-Infrared / Q000191:economics* / Q000379:methods*
chemical_list: D000814:Aniline Compounds; D004853:Epoxy Resins; D010647:Phenyl Ethers; C016050:phenylglycidyl ether; C023650:aniline