Chemistry / Kimya

Permanent URI for this collectionhttps://hdl.handle.net/11147/4072

Browse

Filters

2005 - 20093

Settings

Publisher: search.filters.publisher.Taylor and Francis Ltd.Subject: search.filters.subject.Genetic algorithms

Search Results

Now showing 1 - 3 of 3
  • Article
    Citation - WoS: 18
    Citation - Scopus: 22
    Prediction of Lignin and Extractive Content of Pinus Nigra Arnold. Var. Pallasiana Tree Using Near Infrared Spectroscopy and Multivariate Calibration
    (Taylor and Francis Ltd., 2009) Üner, Birol; Karaman, İbrahim; Tanrıverdi, H.; Özdemir, Durmuş
    Determination of quality parameters such as lignin and extractive content of wood samples by wet chemistry analyses takes a long time. Near infrared (NIR) spectroscopy coupled with multivariate calibration offers a fast and nondestructive alternative to obtain reliable results. However, due to the complexity of the spectra obtained from NIR, some wavelength selection is generally required to improve the predictive ability of multivariate calibration methods. Pinus nigra Arnold. Var. pallasiana is the second most growing pine species in Turkey. Even though its rotation period is very high, around 120 years, the forest products industry has widely accepted the use of Pinus nigra because of its ability to grow on a wide range of sites and its suitability to produce desirable products. In this study, 51 samples of Pinus nigra trees were collected and their lignin and extractive content were determined with standard reference (TAPPI) methods. Then, the same samples were scanned with near infrared spectrometer between 1000 and 2500 nm in diffuse reflectance mode. Multivariate calibration models were built with genetic inverse least squares method for both lignin and extractive content using the concentration information obtained from wet standard reference method. Overall, standard error of calibration (SEC) and standard error of prediction (SEP) were ranged between 0.35% (w/w) and 2.4% (w/w).
  • Article
    Citation - WoS: 11
    Citation - Scopus: 13
    Near Infrared Spectroscopic Determination of Diesel Fuel Parameters Using Genetic Multivariate Calibration
    (Taylor and Francis Ltd., 2008) Özdemir, Durmuş
    The use of full spectral region from near infrared spectroscopic analysis does not always end up with a good multivariate calibration model as many of the wavelengths do not contain necessary information. Due to the complexity of the spectra, some of the wavelengths or regions may, in fact, disturb the model-building step. Genetic algorithms are one of the useful tools for solving wavelength selection problems and may improve the predictive ability of conventional multivariate calibration methods. This study demonstrates application of genetic algorithm-based multivariate calibration to near infrared spectroscopic determination of several diesel fuel parameters. The parameters studied are cetane number, boiling and freezing point, total aromatic content, viscosity, and density. Multivariate calibration models were generated using genetic inverse least squares (GILS) method and used to predict the diesel fuel parameters based on their near infrared spectra. For each property, a different data set was used and in all cases the number of samples was around 250. Overall, percent standard error of prediction (%SEP) values ranged between 2.48 and 4.84% for boiling point, total aromatics, viscosity, and density. However, %SEP results for cetane number and freezing point were 11.00% and 14.86%, respectively.
  • Article
    Citation - WoS: 21
    Citation - Scopus: 23
    Determination of Octane Number of Gasoline Using Near Infrared Spectroscopy and Genetic Multivariate Calibration Methods
    (Taylor and Francis Ltd., 2005) Özdemir, Durmuş
    The feasibility of rating the octane number of gasoline using near infrared (NIR) spectroscopy and three different genetic algorithm-based multivariate calibration methods was demonstrated. The three genetic multivariate calibration methods are genetic regression (GR), genetic classical least squares (GCLS), and genetic inverse least squares (GILS). The sample data set was obtained from the ftp address (ftp://ftp.clarkson.edu/pub/hopkepk/Chemdata/) with the permission of Professor. J. H. Kalivas. This data set contains the NIR spectra of 60 gasoline samples collected using diffuse reflectance as log (I / R) with known octane numbers and covers the range from 900 to 1700 nm in 2 nm intervals. Of these 60 spectra, 20 were used as the calibration set, 20 were used as the prediction set, and 20 were reserved for the validation purposes. Several calibration models were built with the three genetic algorithm-based methods, and the results were compared with the partial least squares (PLS) prediction errors reported in the literature. Overall, the standard error of calibration (SEC), standard error of prediction (SEP), and standard error of validation (SEV) values were in the range of 0.15-0.32 (in the units of motor octane number) for the GR and GILS, which are comparable with the literature. However, GCLS produced relatively large results (0.36 for SEC, 0.39 for SEP and 0.52 for SEV) when compared with the other two methods.