Chemical Engineering / Kimya Mühendisliği
Permanent URI for this collectionhttps://hdl.handle.net/11147/14
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Article Citation - WoS: 3Citation - Scopus: 4Detailed Chemical Kinetic Modeling of Fuel-Rich N-Heptane Flame(Elsevier, 2020) Değirmenci, Emre; Alazreg, Abdalwahab; İnal, FikretThe main purpose of this study is to model one-dimensional, premixed, laminar, burner-stabilized, fuel-rich n-heptane flame to understand its combustion characteristics. Detailed chemical kinetic modeling technique was used to obtain more information about the formation nature of emissions in n-heptane flame. A detailed chemical kinetic mechanism was generated by combining several mechanisms from the literature that related with possible products of fuel-rich n-heptane combustion. The mechanism consists of 4185 reactions and 893 species. Validations of the mechanism were done by species mole fractions of premixed laminar flames and jet stirred reactors, and ignition delay times in shock tubes. A detailed investigation of the n-heptane flame was carried out using rate of production and reaction pathway analyses. Propargyl radical (C3H3), vinylacetylene (C4H4) and acetylene (C2H2) were found as the main precursors of benzene formation. The mechanism was able to predict most of the major, minor, and trace species up to four-fused aromatic rings formed in the flame. A skeletal mechanism was also generated using Directed Relation Graph with Error Propagation (DRGEP) method. It consists of 1879 reactions and 359 species. The skeletal mechanism was in a good agreement with the detailed mechanism on the species mole fraction predictions.Article Citation - WoS: 22Citation - Scopus: 25Indoor Air Quality in a Restaurant Kitchen Using Margarine for Deep-Frying(Springer Verlag, 2015) Sofuoğlu, Sait Cemil; Toprak, Melis; İnal, Fikret; Çimrin, Arif H.Indoor air quality has a great impact on human health. Cooking, in particular frying, is one of the most important sources of indoor air pollution. Indoor air CO, CO2, particulate matter (PM), and volatile organic compound (VOC) concentrations, including aldehydes, were measured in the kitchen of a small establishment where a special deep-frying margarine was used. The objective was to assess occupational exposure concentrations for cooks of such restaurants. While individual VOC and PM2.5 concentrations were measured before, during, and after frying events using active sampling, TVOC, PM10, CO, CO2, temperature, and relative humidity were continuously monitored through the whole period. VOC and aldehyde concentrations did not increase to considerable levels with deep-frying compared to the background and public indoor environment levels, whereas PM10 increased significantly (1.85 to 6.6 folds). The average PM2.5 concentration of the whole period ranged between 76 and 249 μg/m3. Hence, considerable PM exposures could occur during deep-frying with the special margarine, which might be sufficiently high to cause health effects on cooks considering their chronic occupational exposures.Article Citation - WoS: 15Citation - Scopus: 18Preparation and Characterization of Magnesium Stearate, Cobalt Stearate, and Copper Stearate and Their Effects on Poly(vinyl Chloride) Dehydrochlorination(John Wiley and Sons Inc., 2015) Gönen, Mehmet; Egbuchunam, Theresa Obuajulu; Balköse, Devrim; İnal, Fikret; Ülkü, SemraPreparation and characterization of pure metal soaps and investigation of their effects on poly(vinyl chloride) (PVC) dehydrochlorination were the objectives of the present study. Magnesium stearate (MgSt2), cobalt stearate (CoSt2), and copper stearate (CuSt2) were prepared by a precipitation method. An aqueous sodium stearate (NaSt) solution was mixed at 500 rpm with respective metal salt solutions at 75oC. The precipitates that formed were collected by filtration, washed with water, and ultimately dried at 105oC under reduced pressure. Lamellar crystals that melted on heating were obtained. Solid-liquid phase transitions were observed by optical microscopy at 160oC, 159oC, and 117oC for MgSt2, CoSt2, and CuSt2, respectively. However, the melting points of MgSt2, CoSt2, and CuSt2 were determined as 115oC, 159oC, and 111oC, respectively, by analysis by differential scanning calorimetry. The onset temperature of the mass loss was the lowest at 255oC for CuSt2 and the lowest activation energy for thermal decomposition was 18 kJ/mol for CuSt2. CoSt2 was effective in extending the induction time of PVC dehydrochlorination at both 140oC and 160oC. The activation energy calculated from stability time decreased from 175 kJ/mol for a blank PVC sample to 114, 105, and 107 kJ/mol for MgSt2, CoSt2, and CuSt2-containing PVC samples, respectively. All three metal soaps accelerated the dehydrochlorination of PVC. J. VINYL ADDIT. TECHNOL., 21:235-244, 2015.Article Citation - WoS: 37Citation - Scopus: 38Prediction of the Bottom Ash Formed in a Coal-Fired Power Plant Using Artificial Neural Networks(Elsevier Ltd., 2012) Bekat, Tuğçe; Erdoğan, Muharrem; İnal, Fikret; Genç, Aytenhe amount of bottom ash formed in a pulverized coal-fired power plant was predicted by artificial neural network modeling using one-year operating data of the plant and the properties of the coals processed. The model output was defined as the ratio of amount of bottom ash produced to amount of coal burned (Bottom ash/Coal burned). The input parameters were the moisture contents, ash contents and lower heating values of the coals. The total 653 data were divided into two groups for the training (90% of the data) and the testing (10% of the data) of the network. A three-layer, feed-forward type network architecture with back-propagation learning was used in the modeling study. The activation function was sigmoid function. The best prediction performance was obtained for a one hidden layer network with 29 neurons. The learning rate and the tolerance value were 0.2 and 0.05, respectively. R2 (coefficient of determination) values between the actual (Bottom ash/Coal burned) ratios and the model predictions were 0.988 for the training set and 0.984 for the testing set. In addition, the sensitivity analysis indicated that the ash content of coals was the most effective parameter for the prediction of the ratio of bottom ash to coal burned.Article Citation - WoS: 8Citation - Scopus: 9Effects of Dimethyl Ether on N-Butane Oxidation(Elsevier Ltd., 2014) Bekat, Tuğçe; İnal, FikretDimethyl ether (DME) is the simplest ether and it is used as an alternative fuel or fuel additive to reduce toxic emissions from combustion processes. The effects of DME on n-butane oxidation were investigated for two different concentrations of DME in the fuel mixture (i.e., 20% and 50%) and two different fuel-rich equivalence ratios (i.e., 2.6 and 3.0) using detailed chemical kinetic modeling. Reactor model was selected as atmospheric-pressure, adiabatic, tubular reactor, operated under laminar flow conditions. The concentration profiles of major, minor, and trace species were obtained for n-butane/DME/oxygen/argon at six different reactor inlet temperatures, and the results were compared with those attained for pure n-butane oxidation case (n-butane/oxygen/argon). Dimethyl ether addition decreased formations of various toxic species such as carbon monoxide, aromatic species, and polycyclic aromatic hydrocarbons, while it increased the formations of formaldehyde and acetaldehyde. Increasing equivalence ratio increased the formations of carbon monoxide, methane, aromatic species, and polycyclic aromatic hydrocarbons, while its effects on formaldehyde and acetaldehyde were not pronounced under the conditions studied.Article Citation - WoS: 19Citation - Scopus: 23Artificial Neural Network Predictions of Polycyclic Aromatic Hydrocarbon Formation in Premixed N-Heptane Flames(Elsevier Ltd., 2006) İnal, FikretPolycyclic aromatic hydrocarbon formation in combustion systems has received considerable attention because of its health effects. The feed-forward, multi-layer perceptron type artificial neural networks with back-propagation learning were used to predict the total PAH amount in atmospheric pressure, premixed n-heptane and n-heptane/oxygenate flames. MTBE and ethanol were used as fuel oxygenates. The total fifty-four data sets were divided into three groups: training, cross-validation, and testing. The different network architectures were tested and the best predictions were obtained for a network of one hidden layer with five neurons. The transfer function was sigmoid function. The mean square and mean absolute errors were 10.52 and 2.60 ppm for the testing set, respectively. The correlation coefficient (R2) was 0.98. The results also showed that the total PAH amount was significantly influenced by the changes in equivalence ratio, presence of fuel oxygenates, and mole fractions of C4 species.Article Citation - WoS: 30Citation - Scopus: 36Effects of Oxygenate Concentration on Species Mole Fractions in Premixed N-Heptane Flames(Elsevier Ltd., 2005) İnal, Fikret; Senkan, Selim M.Atmospheric pressure, laminar, premixed, fuel-rich flames of n-heptane/oxygen/argon and n-heptane/oxygenate/oxygen/argon were studied at an equivalence ratio of 1.97 to determine the effects of oxygenate concentration on species mole fractions. The oxygen weight percents in n-heptane/oxygenate mixtures were 2.7 and 3.4. Three different fuel oxygenates (i.e. MTBE, methanol, and ethanol) were tested. A heated quartz micro-probe coupled to an on-line gas chromatography/mass spectrometry has been used to establish the identities and absolute concentrations of stable major, minor, and trace species by the direct analysis of samples, withdrawn from the flames. The oxygenate addition has increased the maximum flame temperatures and reduced the mole fractions of CO, low-molecular-weight hydrocarbons, aromatics, and polycyclic aromatic hydrocarbons. The reduction in mole fractions of aromatic and polycyclic aromatic hydrocarbon species by an increase in oxygenate concentration was more significant.Article Citation - WoS: 11Citation - Scopus: 13Experimental and Artificial Neural Network Modeling Study on Soot Formation in Premixed Hydrocarbon Flames(Elsevier Ltd., 2003) İnal, Fikret; Tayfur, Gökmen; Melton, Tyler R.; Senkan, Selim M.The formation of soot in premixed flames of methane, ethane, propane, and butane was studied at three different equivalence ratios. Soot particle sizes, number densities, and volume fractions were determined using classical light scattering measurement techniques. The experimental data revealed that the soot properties were sensitive to the fuel type and combustion parameter equivalence ratio. Increase in equivalence ratio increased the amount of soot formed for each fuel. In addition, methane flames showed larger particle diameters at higher distances above the burner surface and propane, ethane, and butane flames came after the methane flames, respectively. Three-layer, feed-forward type artificial neural networks having seven input neurons, one output neuron, and five hidden neurons for soot particle diameter predictions and seven hidden neurons for volume fraction predictions were used to model the soot properties. The network could not be trained and tested with sufficient accuracy to predict the number density due to a large data range and greater uncertainty in determination of this parameter. The number of complete data set used in the model was 156. There was a good agreement between the experimental and predicted values, and neural networks performed better when predicting output parameters (i.e. soot particle diameters and volume fractions) within the limits of the training data.Article Citation - WoS: 81Citation - Scopus: 102Effects of Equivalence Ratio on Species and Soot Concentrations in Premixed N-Heptane Flames(Elsevier Ltd., 2002) İnal, Fikret; Senkan, Selim M.The micro-structure of laminar premixed, atmospheric-pressure, fuel-rich flames of n-heptane/oxygen/argon has been studied at two equivalence ratios (C/O = 0.63 and C/O = 0.67). A heated quartz microprobe coupled to an online gas chromatography/mass spectrometry (HP 5890 Series II/HP 5972) has been used to establish the identities and absolute concentrations of stable major, minor, and trace species by the direct analysis of samples withdrawn from the flames. Benzene was the most abundant aromatic compound identified. The largest PAH detected were the family of C18H10 (molecular weight of 226) that include cyclopenta[cd]pyrene and benzo[ghi]fluoranthene, with peak concentrations reaching 8 ppm and 6 ppm, respectively. Soot particle diameters, number densities, and volume fractions were determined using classical light scattering and extinction measurements. The largest soot particle diameter measured was about 18 nm and the soot volume fraction reached the amount of 4.9 × 10-7.Article Citation - WoS: 163An Assessment of Indoor Air Concentrations and Health Risks of Volatile Organic Compounds in Three Primary Schools(Elsevier Ltd., 2011) Sofuoğlu, Sait Cemil; Aslan, Güler; İnal, Fikret; Sofuoğlu, AysunConcentrations of volatile organic compounds (VOCs), including formaldehyde, in classrooms, kindergartens, and outdoor playgrounds of three primary schools were measured in spring, winter, and fall terms in Izmir, Turkey. A health-risk assessment was conducted for odor detection, sensory irritation, chronic toxic effects, and cancer. Active sampling was applied for VOCs and formaldehyde on Tenax TA and DNPH tubes, respectively. VOCs were analyzed in a thermal desorption-GC-MS system. Formaldehyde analysis was performed using an HPLC instrument. Benzene, toluene, and formaldehyde were the most abundant compounds with 95th percentile indoor air concentrations of 29, 87, and 106μg/m3, respectively. Naphthalene and xylenes followed them with an order of magnitude lower concentrations. Two isomers of dichlorobenzene (1,3 and 1,4) were the other notable compounds. The concentrations were utilized to classify the indoor air pollutants with respect to potential health effects. In addition, carcinogenic and chronic toxic risks were estimated using Monte-Carlo simulation. Formaldehyde appears to be the most concerning pollutant with high chronic toxic and carcinogenic risk levels according to the health assessment followed by naphthalene, benzene, and toluene due to their chronic effects.