Διερεύνηση καταλυτική υδρογονοεπεξεργασίας φαινόλης με κινητικές τύπου Langmuir Hinshelwood

Βαγγελάτος, Σοφοκλής; Vangelatos, Sofoklis

dc.contributor.author	Βαγγελάτος, Σοφοκλής	el
dc.contributor.author	Vangelatos, Sofoklis	en
dc.date.accessioned	2018-11-29T11:36:31Z
dc.date.available	2018-11-29T11:36:31Z
dc.date.issued	2018-11-29
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/48179
dc.identifier.uri	http://dx.doi.org/10.26240/heal.ntua.16226
dc.rights	Αναφορά Δημιουργού-Μη Εμπορική Χρήση-Όχι Παράγωγα Έργα 3.0 Ελλάδα	*
dc.rights.uri	http://creativecommons.org/licenses/by-nc-nd/3.0/gr/	*
dc.subject	Καταλυτική υδρογονοεπεξεργασία	el
dc.subject	Υδρογονοεπεξεργασία	el
dc.subject	Φαινόλη	el
dc.subject	Langmuir Hinshelwood	el
dc.subject	Lignocellulosic biomass	en
dc.subject	Biomass	en
dc.subject	Bio- oil	en
dc.subject	Phenol	en
dc.subject	Catalytic reaction	en
dc.subject	Hydrotreating	en
dc.subject	Hydrodeoxygenation	en
dc.subject	Inhibition factor	en
dc.subject	Optimization procedure Nelder-Mead Simplex	en
dc.title	Διερεύνηση καταλυτική υδρογονοεπεξεργασίας φαινόλης με κινητικές τύπου Langmuir Hinshelwood	el
heal.type	bachelorThesis
heal.classification	Μηχανική χημικών αντιδράσεων	el
heal.classificationURI	http://data.seab.gr/concepts/4857f7ab26a40fd67e9568abb8b3e5cae80ef62c
heal.language	el
heal.access	campus
heal.recordProvider	ntua	el
heal.publicationDate	2018-10-03
heal.abstract	Μελέτη της καταλυτικής υδρογονοεπεξεργασίας της φαινόλης με κινητικές τύπου Langmuir Hinshelwood παρουσία καταλυτών αναγμένου και θειωμένου NiMo/Al2O3 και αναγμένου Cu/SBA σε εργαστηριακά πειράματα. Υπολογισμός κινητικών παραμέτρων κινητικού μοντέλου τύπου Langmuir Hinshelwood με τη μέθοδο βελτιστοποίησης Nelder-Mead Simplex στις συνθήκες των πειραματικών δεδομένων.	el
heal.abstract	The purpose of this diploma thesis is the kinetic modeling of the reactions taking place during phenol catalytic hydrotreating using Langmuir Hinshelwood type kinetic equations. For each catalytic system the kinetic constants were estimated by means of an optimization process. In particular, a study of the hydrodeoxygenation of phenol, which is a component of the bio-oil resulting from the pyrolysis of lignocellulosic biomass, was carried out in the presence of both reduced and sulphated NiMo on Al2O3 carrier and Cu on SBA carrier. Not only the inhibition factors, but all the kinetic parameters of the Langmuir Hinshelwood type kinetic models were calculated for each catalyst case . In particular, for the reduced NiMo / γ-Al2O3, the phenol, cyclohexanol and hydrogen inhibitory factors were calculated, for the sulphated NiMo / γ-Al2O3 phenol and benzene, while for the Cu / SBA the coefficients of phenol, cyclohexene and hydrogen. At the same time, scenarios were also considered to include the inhibition factor of the cyclohexane in the kinetic model, in order to prove whether the original hypothesis was valid. For this purpose, existing in the CRE Lab experimental data were used which had been adapted to the mathematical model describing the phenol hydrotreating process. o These were obtained in a range of temperatures from 130 to 155 C for the experiments carried out in the presence of reduced NiMo / γ-Al2O3 catalyst, from 200 o o to 250 C for the sulphated NiMo / γ-Al2O3 catalyst and 170 to 230 C for the Cu / SBA catalyst. Both the NiMo / γ-Al2O3 and Cu / SBA catalysts are were tested withinin a pressure range of 20 to 40 bar. Conversely, experiments in the presence of sulfated NiMo / γ-Al2O3 catalyst were conducted at constant pressure. The experiments in the presence of reduced NiMo / γ-Al2O3 catalyst were also carried out with cyclohexanol feed, except for phenol which was the basic reactant for all catalyst cases. This element was aimed at facilitating kinetic determination, so that the parameters would be reduced by one. However, during the calculations it turned out that it did not facilitate the modeling of the system when using Langmuir Hinshelwood type kinetic.In order to make proper use of the experimental data, it was necessary to establish the mass balances for each reaction case separately. In this way all the necessary sizes were included, as well as the Langmuir Hinshelwood type kinetic model, through the reaction rates around which all the results would emerge. The reactor was considered to be tubular, the flow was biphasic, while the catalyst was in a grounded state, so that the effectiveness factor was almost equal to the unit. The kinetic model studied consisted of two forms concerning the way in which the denominator of this equation is expressed. The first form, called Form 1, is described by the denominator being raised to one, while the second form, to be called Form 2, by its being raised to the square. Each case for each catalyst was studied separately so as to draw the conclusion which form is better adapted to the experimental data. To facilitate calculations and export valid results it was necessary to apply two th appropriate mathematical tools. The first was the Runge Kutta 4 order method to simultaneously solve the mass reaction balances and calculate the constituent assemblies at the reactor outlet. The second and most basic tool was the Nelder-Mead Simplex optimization process. Using this method and at the same time appropriate initial values, it was feasible to estimate the kinetic parameters for each reaction model separately. The results obtained in the case of the reduced NiMo / γ-Al2O3 catalyst were for the kinetic model of Form 1. The values of the inhibition factors calculated, were Kph = -1 -1 -1 82678 g mol , Kanol = 0.276 g mol and KH2 = 0.144 bar . In addition, it was shown that on the basis of these values the kinetic model was better adapted to the experimental data than the exponential law.Similarly, in the case of the sulphated NiMo / γ-Al2O3 catalyst. it was concluded that the Model 2 kinetic model was better adapted to the experimental data.The values of the inhibition factors which -1 -1 were calculated in this case were Kph = 21.7 g mol and Kben = 3384 g mol . However, in this reaction the exponential law was much better adapted to the experimental data. In the experiments conducted in the presence of a Cu / SBA catalyst it was stated that the kinetic model of Form 1 was better adapted to the experimental data. The -1 inhibition factors of this scenario were described by Kph = 15.6 L mol , Kene = 1.7 L -1 -1 mol and KH2 = 0.03 L mol . In this case, the Langmuir Hinshelwood kinetic model was very well adapted to experimental data in relation to exponential law. Finally, all cases of the models that emerged, confirmed the initial assumption that cyclohexane is not involved in the inhibition of the system as it does not float on the surface of the catalyst.	en
heal.advisorName	Παπαγιαννάκος, Νικόλαος	el
heal.committeeMemberName	Παπαγιαννάκος, Νικόλαος	el
heal.committeeMemberName	Φιλιππόπουλος, Κωνσταντίνος	el
heal.committeeMemberName	Κορδάτος, Κωνσταντίνος	el
heal.academicPublisher	Εθνικό Μετσόβιο Πολυτεχνείο. Σχολή Χημικών Μηχανικών. Τομέας Ανάλυσης, Σχεδιασμού και Ανάπτυξης Διεργασιών και Συστημάτων (ΙΙ)	el
heal.academicPublisherID	ntua
heal.numberOfPages	185 σ.
heal.fullTextAvailability	true