Master Degree / Yüksek Lisans Tezleri
Permanent URI for this collectionhttps://hdl.handle.net/11147/3008
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Master Thesis The Development of Chemometric Methods Based on Molecular Spectroscopy for the Standardization of Production Processes and Product Traceability of Personal Care and Cleaning Products(Izmir Institute of Technology, 2019) Çiftçi İlmek, Berfu; Özdemir, DurmuşPersonal care and cleaning products are the main consumer goods. Changes in our heath caused by all of the chemicals that we exposed to everyday if these products are not produced according to the regulations and determined formulations. Because of this reason, quality control of the product formulation quantitatively is very important. There are some analytical methods for the determination of anion active matter, nonionic matter and total active matter in the product mixture. However, these techniques are expensive and do not give accurate results. The purpose of this thesis principally based on development of rapid, accurate and practical infrared spectroscopic technique based on multivariate chemometrics data analysis methods for the standardization of production processes and product traceability of personal care and cleaning products. In this thesis, two different products are studied which are namely liquid soap and shower gel. Fourier Transform Infrared spectroscopy coupled with Attenuated Total Reflectance accessory based chemometrics multivariate calibration models were developed for the quantitative determination of liquid soap and shower gel compounds. Genetic Inverse Least Squares was used as the chemometrics method for the development of multivariate calibration models in the quantitative determination of liquid soap and shower gel compositions. Standard error of cross validation and standard error of prediction values for content of the liquid soap samples were found 0.26% and 0.21 % (w/w %), respectively. Standard error of cross validation and standard error of prediction values for content of the shower gel samples were found 0.27 % and 0.30 % (w/w %), respectively.Master Thesis Determination of Total Acid Number in the Optimization of Oleate Production by Using Fourier Transform Infrared Spectroscopy and Multivariate Calibration(Izmir Institute of Technology, 2019) Toygar Türkün, Nihan; Özdemir, DurmuşPolyethylene glycol oleate (PEG-Oleate) is a non-ionic surfactant, and is an important emulsifier for water-oil systems. It is produced by reacting oleic acid and polyethylene glycol (PEG) under vacuum for around 4 hours and at 160 °C, in the presence of acid catalyst which is para toluene sulfonic acid (PTSA). The quality and process control of this production is determination of total acid number (TAN) by the standard method ASTM D974 which is a color indicator titration. Although titration is a simple method, it is relatively time consuming and prone to human error. Besides, the solvents used in titration method, are significantly unhealthy for humans. The aim of this study is to develop fast and simple procedure for the determination of total acid number based on Fourier Transform Infrared Spectroscopy (FTIR) combined with multivariate calibration methods namely Genetic Inverse Least Squares (GILS) and Partial Least Squares (PLS). The reference total acid number of the samples collected during the esterification reaction, had been carried out by the ASTM D974 standart method and the Fourier Transform Infrared (FTIR) spectra of the same samples were also collected simultaneously with single reflection diamond Attenuated Total Reflectance (ATR) accessory. Univariate calibration was applied on a specific wavenumber corresponding to the ester peak around 1739 cm–1. Although the changes in the ester peak was showing an inrease associated to the esterification of the reactants, the results of the univariate calibration was unsucsesful. The best regression coefficient was found to be 0.997 by GILS method along with SECV and SEP as 2.295 and 2.694 mg KOH/g, respectively. The results of GILS showed that it is possible to monitor esterification process of PEG oleate.