Master Degree / Yüksek Lisans Tezleri
Permanent URI for this collectionhttps://hdl.handle.net/11147/3008
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Master Thesis Molecular Modelling of the Effect of Alkali Promoters on Co Adsorption and Dissociation on the Co(111) Surface(2023) Kızılkaya, Ali Can; Kızılkaya, Ali Can; 03.02. Department of Chemical Engineering; 03. Faculty of Engineering; 01. Izmir Institute of TechnologyFischer-Tropsch Synthesis (FTS) is a surface polymerization process that has been industrially used to convert non-petroleum feedstocks to synthetic transportation fuels. Modification with an alkali promoter of the Co-based catalysts provided promising results to obtain hydrocarbons with enhanced olefin content in FTS. Activation of CO is the key factor to achieve desired end products in FTS, yet the mechanism related to the CO dissociation behavior on alkali promoted cobalt surfaces remains unknown. This study aims to examine the impact of alkali promoters (Li, Na, K) on the adsorption and dissociation characteristics of CO on the Co(111) surface using Density Functional Theory (DFT). Our results revealed that CO adsorption energy increased by 32-37% with alkali addition, yet H adsorption energy remained relatively unchanged. The effect of alkali addition on CO dissociation routes were also examined. The high activation barrier (>200 kJ/mol) makes it improbable for direct CO dissociation to occur on alkali promoted Co(111) surfaces under FTS conditions. For H-assisted pathways, alkali addition increased the activation barrier for HCO and H2CO dissociation, overall reducing the H-assisted CO dissociation rate. It was found that alkali addition makes the surface more carbophilic since the C adsorption energy increased by 7-11% upon alkali addition. Also, with increasing C concentration on the Co(111) surface, subsurface carbon geometries became more stable. Ultimately, it is concluded that alkali promoters of Li, Na and K have similar effects on CO adsorption and dissociation on the Co(111) surface.Master Thesis Recovery of Lithium From Aqueous System Using Manganese Oxide Adsorbent With Developed Electrospun Mat Substrate(01. Izmir Institute of Technology, 2023) Akgün, Berk; Demir, Mustafa Muammer; Ebil, Özgenç; Ebil, Özgenç; Demir, Mustafa Muammer; 03.02. Department of Chemical Engineering; 03.09. Department of Materials Science and Engineering; 03. Faculty of Engineering; 01. Izmir Institute of TechnologyLithium is used in many fields due to its high energy density and unique electrochemical properties. Recently, there has been a strong increase in demand for lithium, so the extraction of lithium from natural water resources has become a remarkable research topic. One of the most effective methods of separating lithium from natural water sources is adsorption using lithium ion-sieve adsorbents. However, the powdered nature of the adsorbents makes them challenging to process and less recyclable. Recent studies have focused on developing adsorbents using different polymeric materials as substrates or binders. In the thesis, as a new approach, flexible and free-standing polyurethane electrospun mat substrates were produced and combined with λ-MnO2 to extract lithium from aqueous systems, and their lithium removal performance was investigated. After the fabricated mats and λ-MnO2 powder were characterized, the deposition process was performed, and filtration studies were carried out in synthetic lithium solution. Optimum conditions for lithium removal were found as an adsorbent amount of 200 mg, and 200 ppm initial [Li+], and pH 12. In addition, lithium removal performances have been improved by stacking mats and multi-stage filtration processes. Lithium removal reached 76.6% when a 400 ppm lithium solution and an 8-step filtration were used. Lithium removal experiments were performed with salt-lake brine containing high concentrations of various ions and showed that these ions reduced the lithium removal. In the study, PU electrospun mats for λ-MnO2 powder were found to be a promising substrate for lithium removal from aqueous systems.Master Thesis Adsorbent Synthesis for the Recovery of Lithium Water Resources(01. Izmir Institute of Technology, 2022) Yüksel Özşen, Aslı; Yüksel Özşen, Aslı; Yüksel Özşen, Aslı; 03.02. Department of Chemical Engineering; 03. Faculty of Engineering; 01. Izmir Institute of TechnologyLithium is a crucial mineral for the 21st century due to its utilization in a wide range of industries. Lithium demand will increase because of car battery developments and the necessity for power storage. Investigating alternative strategies for resource recovery is the only way to fulfill this unexpected rise properly and sustainably in demand. Adsorption has been discovered to have some technological advantages over other methods. It is considerably less expensive, lacks the chemical resistance present in membranes, lacks the significant electrical demand of electrochemical approaches, as well as the restricted selectivity and challenges in integration into commercial processes. Lithium manganese oxides, also known as lithium ion-sieves, are adsorbents for lithium extraction that have remarkably high selectivity, high adsorption capacity, minimal toxicity, good chemical stability and cheap cost. They are one of the most promising inorganic adsorbents. This research emphasized on the recovery of lithium from water resources through the use of lithium manganese oxide, which were synthesized in laboratory. They were transformed into spherical beads by adding chitosan, followed by crosslinking these beads with epichlorohydrin to increase their adsorption yield, stability, and reusability. Characterization techniques such as SEM, XRD and BET were applied on the adsorbents. Results shows that the adsorbents distributed uniformly, the adsorbent powder was mesoporous, and from the adsorption studies it was found that the adsorbent worked much better in alkaline conditions such as pH 12, optimum adsorbent dosage estimated as 4 g/L and the equilibrium time measured as 10 hours. From the desorption study approximately 95% of Li desorbed for the first cycle, after the second cycle the adsorbent efficiency started to decrease.Master Thesis Adsorption of Methane Reformer Off-Gas Components in a Column Packed With Cu, Al,ti and Zn Based Organic Frameworks(Izmir Institute of Technology, 2016) Kanaltı, Gaye; Özkan, Seher Fehime; Çakıcıoğlu Özkan, Seher Fehime; 03.02. Department of Chemical Engineering; 03. Faculty of Engineering; 01. Izmir Institute of TechnologyWithin the past decade, CO2 emissions from fossil fueled power plants has accelerated rapidly as a result of the increase in energy consumption associated with industrial development all over the world. Beyond the necessity of reduction in CO2 emissions, concerning on the crude oil reserves depletion induced the urgent need of transition to more efficient, renewable, cleaner and cheaper fuel, hydrogen. In the world, most of the hydrogen is produced by hydrogen-rich stream methane reformer (SMR) off gas streams composed of 80-60% H2, 15-25% CO2, 3-6% CH4 and 1-3% CO, thereby separation of SMR components became more of an issue. In this study, adsorption based separation of SMR components were investigated in a column packed with copper (CuTPA, (SLang: 776 m2g-1)), aluminum (AlTPA, (SLang: 1330 m2g-1)), titanium (TiTPA, (SLang: 1835 m2g-1)) and zinc (ZnTPA, (SLang: 1023 m2g-1)) based organic frameworks (MOFs). The pure gas adsorption studies on equimolar CO2/H2, CH4/H2 and CO/H2 systems and the equimolar mixture of CO2/CH4 system were carried out and the experimental breakthrough curves were obtained at three different feed flow rates (10, 20 and 30 mL/min) at three column pressure (1, 5 and 10 bar) at 303 K. The highest adsorption capacities of all MOFs were achieved at 30 mL/min of feed rate and 10 bar operating pressure, at these conditions the non-adsorptive behavior of hydrogen on the aforementioned MOFs was ensured. The amounts of CO2 adsorbed were calculated as 1.61, 5.54, 5.20 and 2.11 mmolCO2/g, while adsorbed CH4 amounts were 1.50, 3.16, 3.25 and 1.90 mmol CH4/g and the adsorbed CO amounts were 1.47, 2.59, 1.91 and 1.83 mmol CO/g on CuTPA, AlTPA, TiTPA and ZnTPA, respectively. The highest selectivity for CO2 over CH4 was attained on TiTPA as 8.0 at 10 mL/min feed rate of CO2/CH4 mixture at atmospheric column pressure and 303 K. The experimental adsorption isotherms of SMR components were fitted well with Langmuir and virial models and the best fitted model parameters were evaluated for each MOF.Master Thesis Purification of Polyphenolic Compounds From Crude Olive Leaf Extract(Izmir Institute of Technology, 2011) Karakaya, Alihan; Bayraktar, Oğuz; Bayraktar, Oğuz; 03.02. Department of Chemical Engineering; 03. Faculty of Engineering; 01. Izmir Institute of TechnologyStudy was carried out to investigate the adsorption characteristics of olive leaf extract on the macroporous adsorption resins and the efficiency of the adsorption column for the separation and purification of oleuropein and rutin from the crude plant extract. Both static and dynamic experiments were performed. In static studies, the performances of three macroporous Amberlite resins namely XAD4, XAD 16 and XAD7HP for the adsorption of polyphenols were evaluated. XAD7HP was chosen as an adsorbent for further adsorption study. XAD7HP was selected for the studies of isotherms, kinetics of adsorption. In conventional alcohol extraction, crude feedstock is mixed with solvent which is alcohol for most cases, and then extract is distilled to remove ethanol. This process ends with a certain amount of residual ethanol because of complication in separation process for ethanol and water makes an azeotropic binary system. The results showed that adsorption capacity of an alcoholic solution with 10 % ethanol content is better than aqueous solution which contained no ethanol. In dynamic studies, the adsorption and desorption experiments were carried out on a glass column packed with XAD7HP resin. The flow velocity 122 cm/h operated as a fixed bed while operation was in an expanded bed mode at 367 cm/h and 611 cm/h, respectively. The effectiveness of the packed bed adsorption and the fluidized bed adsorption were compared. The results show the breakthrough occurred earlier when the feed flow velocity increased. In the elution step, elution program with 2,000 ml for 0 %, 4,000 ml for 40 % and 3,000 ml for 90 % aqueous ethanol was used to achieve an efficient separation. Total phenol content and antioxidant capacity of olive leaf crude extract and effluent fractions were analyzed in order to find the difference between before and after separation. Consequently, fluidized bed adsorption is a promising alternative for the packed bed adsorption in order to isolate oleuropein and rutin from the olive leaf extract.
