Chemical Engineering / Kimya Mühendisliği

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Citation - WoS: 2
Citation - Scopus: 2
Automated Deep Learning Model Development Based on Weight Sensitivity and Model Selection Statistics
(Pergamon-elsevier Science Ltd, 2025) Yalcin, Damla; Şıldır, Hasan; Deliismail, Ozgun; Tuncer, Basak; Boy, Onur Can; Bayar, Ibrahim; Kayar, Gizem; Sildir, Hasan; 03.02. Department of Chemical Engineering; 03. Faculty of Engineering; 01. Izmir Institute of Technology
Current sustainable production and consumption processes call for technological integration with the realm of computational modeling especially in the form of sophisticated data-driven architectures. Advanced mathematical formulations are essential for deep learning approach to account for revealing patterns under nonlinear and complex interactions to enable better prediction capabilities for subsequent optimization and control tasks. Bayesian Information Criterion and Akaike Information Criterion are introduced as additional constraints to a mixed-integer training problem which employs a parameter sensitivity related objective function, unlike traditional methods which minimize the training error under fixed architecture. The resulting comprehensive optimization formulation is flexible as a simultaneous approach is introduced through algorithmic differentiation to benefit from advanced solvers to handle computational challenges and theoretical issues. Proposed formulation delivers 40% reduction, in architecture with high accuracy. The performance of the approach is compared to fully connected traditional methods on two different case studies from large scale chemical plants.
Meşe Ağacı Artıklarının Hidrotermal Sıvılaştırma ile Biyoyağ Eldesi için Değerlendirilmesi
(2023) Yüksel Özşen, Aslı
Yenilenemez bir enerji kaynağı olan fosil yakıtların önümüzdeki yıllarda tamamen tükenecek olması ve halihazırda kullanılırken çevreye verdikleri zararlar dünya genelinde artan enerji ihtiyacıyla da birleşince alternatif enerji üretim yollarının aranmasına başlanmıştır. Biyokütlelerin çeşitli işlem sonucunda gelecekte fosil yakıtların yerini alabilecek ucuz ve çevreci bir alternatif yakıt olan biyoyağa dönüştürülebilmesi son yıllarda literatürde de sıkça çalışılan bir konudur. Farklı katalizör ve solvent kullanımına olanak sağlayan sıvılaştırma işlemi, termokimyasal dönüşümle biyokütleden biyoyağ elde etme yollarından biridir. Özellikle lignoselülozik biyokütleler yüksek selüloz ve hemiselüloz oranlarından ötürü sıvılaştırma işlemi için büyük önem taşımaktadır. Türkiye?nin ormanlık alan ve ormancılık faaliyetleri açısından zengin bir altyapıya sahip olması aynı zamanda değerlendirilmeyen orman atıklarının ortaya çıkmasına sebep olmaktadır. Bu bağlamda, önerilen çalışmada Türkiye?deki ormanlık alanların neredeyse 30%?nu kapsayan meşe ağacı atıklarından farklı solventlerle (su, ethanol, 1-bütanol, 1-hekzanol ve 1,4 dioksan) biyoyağ üretilmesi amaçlanmıştır. Deneyler 210, 240 ve 270 ºC?de 1 ve 2 saatlik süreyle gerçekleştirilmiş ve 1,4 dioksan ile 1 saat 270 ºC?de 53% biyoyağ verimi elde edilmiştir. Aynı zamanda yine aynı koşullar su kullanılarak maksimum değer olan 35 MJ/kg ısıl değerli 25% verimle biyoyağ üretimi başarıyla sağlanmıştır.
Pomza ve Nsdd-pomza ile Sabit Yataklı Kolon Reaktörde Metilen Mavisi Giderimi: Deneysel ve Modelleme Çalışması
(2019) Balcı, Esin; Ökten, Hatice Eser; Ökten, Hatice Eser; Recepoğlu, Yaşar Kemal; Genişoğlu, Mesut; Gören, Ayşegül Yağmur; Recepoğlu, Yaşar Kemal; Genişoğlu, Mesut; Gören, Ayşegül Yağmur; 03.07. Department of Environmental Engineering; 03.02. Department of Chemical Engineering; 03. Faculty of Engineering; 01. Izmir Institute of Technology
Nano sıfır değerlikli demir (nSDD) yüksek renk konsantrasyonlarına sahip tekstil atıksularının arıtımında ekonomik ve çevre dostu bir adsorban olarak ortaya çıkmaktadır. Ancak nSDD partikülleri sulu çözeltilerde elektrostatik etkileşimler sebebiyle kolayca topaklaşmakta ve bu da arıtma veriminin düşmesine neden olmaktadır. Dolayısıyla düşük maliyetli, doğal poröz yapıda ve ortalama 2m2/gr spesifik yüzey alanına sahip pomza, nSDD topaklaşmasını önleyici bir malzeme olarak kullanılabilir. Bu çalışmada sadece pomza ve pomzanSDD (ağırlıkça 9:1) karışımının kullanıldığı kolon reaktörde 25, 50, 75 ve 100 mg/L metilen mavisi konsantrasyonları için arıtma verimleri incelenmiştir. Pomzanın ve pomza-nSDD karışımının 100 mg/L metilen mavisi deneyindeki toplam kapasiteleri sırasıyla 2,8 ve 4,2 mg/g-adsorban olarak bulunmuştur. Özellikle düşük konsantrasyonlarda, pomza-nSDD karışımının arıtma performansını önemli ölçüde arttırdığı görülmüştür. Thomas modeli deneysel verilere uygulanmış ve modelin öngörü gücünün düşük konsantrasyonda yüksekken, yüksek konsantrasyonlarda ortalama olduğu kanısına varılmıştır.
Citation - WoS: 2
Citation - Scopus: 1
Regenerable Nickel Catalysts Strengthened Against H2s Poisoning in Dry Reforming of Methane
(Elsevier, 2025) Kesan Celik, Nazli; Kesan Celik, Nazli; Yasyerli, Sena; Arbag, Huseyin; Tasdemir, H. Mehmet; Yasyerli, Nail; 03.02. Department of Chemical Engineering; 03. Faculty of Engineering; 01. Izmir Institute of Technology
In this study, alumina-supported bimetallic Ni-Cu and trimetallic Ni-Cu-Ce catalysts were synthesized to improve catalysts resistant to coke formation and sulfur poisoning for dry reforming of methane (DRM). The effects of parameters such as feed composition, synthesis method, and H2S concentration using the catalyst with the best activity were also investigated. To determine the physical and chemical properties of the synthesized catalysts, XRD, N2 adsorption-desorption, TGA-DTA, ICP-OES, SEM-EDX, XPS, and DRIFTS analyses were performed. XRD analysis showed that the fresh Ni-Cu catalysts have elemental nickel and gamma- alumina phases in their structures. In addition to these structures, the CeO2 crystal structure was determined for the Ni-Cu-Ce catalyst. Type IV isotherm with H1 hysteresis indicating uniform mesoporous structure was obtained with all the catalysts. The activities of the synthesized catalysts in DRM were performed in the presence of different concentrations of H2S (2 ppm, 50 ppm, and 500 ppm) in a fixed bed reactor at 750 degrees C using a gas chromatography-equipped system. The alumina-supported 8Ni-3Cu-8Ce catalyst prepared by the impregnation method exhibited a higher and more stable activity comparing the bimetallic Ni-Cu catalyst in the presence of H2S. Adding copper and cerium to the nickel catalyst has a curative effect on resistance to coke formation and sulfur poisoning. Excess CO2 in the feed stream increased the H2S poisoning resistance of the catalyst. To analyze the reactor exit stream in catalytic activity using different feed stream compositions such as H2S+He, H2S+CO2+He, and H2S+CO2+CH4+He, FTIR with a gas cell was used. The formation of carbonyl sulfide (COS) and H2O, which occurs due to the possible reaction between CO2 and H2S, was observed. Regeneration studies showed that the catalyst could undergo regeneration with a low oxygen concentration (0.3 % O2 in He). 8Ni-3Cu-8Ce@SGA, which gave 71 % CH4 conversion in the first minute of the reaction test in the presence of 50 ppm H2S, was regenerated after completely losing its activity at the end of 5 h. 66 % CH4 conversion was achieved when tested again in the absence of H2S (CH4/CO2/Ar:1/1/1). The 8Ni-3Cu-8Ce@SGA catalyst was deemed worthy of investigation for industrial applications.
A Study on Absorption and Reflection of Infrared Light by the Uncoated and Al Coated Surfaces of Polymer Films Techniques
(Apple Academic Press, 2014) Arkış, Esen; Balköse, Devrim; Balköse, Devrim; Arkış, Esen; 03.02. Department of Chemical Engineering; 03. Faculty of Engineering; 01. Izmir Institute of Technology
Polymer films coated with a thin layer of aluminum or aluminum oxide are extensively used in food packing as heat shields. The infrared rays were not transmitted through the films and were reflected protecting the contents from the harmful effects of infrared light. The quantitative measurement of the film thickness and infrared light reflection and absorption capacities of aluminum coated films used as packing materials were possible using infrared spectroscopy. © 2015 by Apple Academic Press, Inc.
Advances in Nanocomposite Membranes for CO2 Removal
(Elsevier, 2024) Marpani,F.; Alsoy Altınkaya, Sacide; Othman,N.H.; Alias,N.H.; Mat Shayuti,M.S.; Alsoy Altınkaya, Sacide; 03.02. Department of Chemical Engineering; 03. Faculty of Engineering; 01. Izmir Institute of Technology
Nanocomposite membranes have emerged as a promising solution for efficient carbon dioxide (CO2) removal in gas separation processes. These membranes combine polymeric matrices with inorganic nanofillers to synergize the excellent separation performance of inorganic materials with the mechanical stability of polymers. The choice of nanofillers, such as porous and nonporous materials, significantly influences the gas permeability and selectivity of the resulting nanocomposite membranes. Porous fillers with interstitial channels and large surface areas are found to selectively adsorb CO2, enhancing membrane separation performance. On the other hand, nonporous fillers alter the polymer chain orientation, influencing gas separation differently. The 1D, 2D, and 3D morphologies of nanofillers offer unique properties in terms of surface-to-volume ratio, permeability, and selectivity. The fabrication of nanocomposite membranes also plays a crucial role, and advances in materials and manufacturing techniques have enabled the design of high-performing membranes. Asymmetric and symmetric configurations have been explored to optimize separation efficiency. Nevertheless, challenges such as aging, compaction, and swelling need to be addressed to ensure the long-term stability of nanocomposite membranes. Future research should focus on developing advanced theoretical models to better predict gas permeation behaviors in these membranes. Overall, nanocomposite membranes offer a promising avenue for efficient CO2 removal, contributing to sustainable environmental practices and energy production. © 2024 Elsevier Ltd. All rights reserved.
Citation - WoS: 1
Citation - Scopus: 1
A Mixed-Integer Dynamic and Stochastic Algae Process Optimization
(Elsevier, 2024) Kivanc, Sercan; Deliismail, Özgün; Deliismail, Özgün; Şıldır, Hasan; Şıldır, Hasan; 03.02. Department of Chemical Engineering; 03. Faculty of Engineering; 01. Izmir Institute of Technology
With increased energy demand as it gets scarcer, a great deal of research is being carried out into alternatives to non - renewable energy resources. One of the promising studies is the biofuel production from micro algae. Microalgae are photosynthetic organisms and capture carbon dioxide, reducing emissions and providing valuable products (fuel, fertilizer, etc.). Thus, efficiency in the design and optimization of process related units are important. In this study, the optimal experimental conditions for Nannochloropsis Oculata were calculated under the constraints of the model equations and other process related constraints through simultaneous optimization approach. The economic evaluation of the process is also handled by introducing the uncertainty in the economic measures sampled from normal distribution to maximize the average profit. Unlike traditional approaches, the MINLP formulation, which is solved stochastically, dynamically, and simultaneously, provides more robust and reliable results, flexibility, improved decision making, reduced risks to be taken and a better understanding of risk factors. Copyright (C) 2024 The Authors. This is an open access article under the CC BY-NC-ND license (https://creativecommons.org/licenses/by-nc-nd/4.0/)
Calcium Soap Lubricants
(CRC Press, 2015) İzer, Alaz; Balköse, Devrim; Kahyaoğlu, Tuğçe Nefise; Balköse, Devrim; 03.02. Department of Chemical Engineering; 03. Faculty of Engineering; 01. Izmir Institute of Technology
The reparation and characterization of calcium stearate (CaSt2) and a lubricant by using calcium stearate were aimed at in this study. Calcium stearate powder was prepared from sodium stearate and calcium chloride by precipitation from aqueous solutions. CaSt2 and the Light Neutral Base oil were mixed together to obtain lubricating oil. It was found that CaSt2 had a melting temperature of 142.8 °C and in base oil it had a lower melting point, above 128 °C. It was dispersed as lamellar micelles as the optical micrographs had shown. From rate of settling the size of dispersed particles were found to be 1.88 µm and 0.11 µm for lubricants having 1% and 2% CaSt2, respectively. The friction coefficient and wear scar diameter of base oil 0.099 and 1402 nm were reduced to 0.0730 and 627.61 nm respectively for the lubricant having 1% CaSt2. Lower wear scar diameter (540 nm) was obtained for lubricant with 2% CaSt2. CaSt2 improved the lubricating property of the base oil but did not improve its oxidative and thermal stability. © 2015 by Apple Academic Press, Inc.
Citation - WoS: 1
Citation - Scopus: 1
Optimized Lithium(I) Recovery From Geothermal Brine of Germencik, Türkiye, Utilizing an Aminomethyl Phosphonic Acid Chelating Resin
(Taylor and Francis Ltd., 2025) Recepoğlu, Y.K.; Recepoğlu, Yaşar Kemal; 03.02. Department of Chemical Engineering; 03. Faculty of Engineering; 01. Izmir Institute of Technology
This study investigates the performance of Lewatit TP 260 ion exchange resin for the efficient recovery of lithium (Li(I)) from geothermal water sourced from the Germencik Geothermal Power Plant in Türkiye. A series of batch sorption experiments were performed to evaluate the influence of key parameters, including resin dosage, solution pH, temperature, initial Li(I) concentration, and contact time, on the Li(I) recovery process. The optimal conditions were determined to be a resin dose of 0.5 g per 25 mL of geothermal water, pH in the range of 6–8, and a temperature of 25°C. Under these conditions, the resin achieved a maximum Li(I) recovery rate of 71% from the geothermal water. Sorption isotherms were further analyzed using the Langmuir, Freundlich, and Dubinin-Radushkevich (D-R) models. Among these, the Langmuir model provided the best fit (R² = 0.9841), suggesting a maximum sorption capacity (qm) of 4.31 mg/g. Continuous recovery experiments conducted in column mode confirmed the practical applicability of Lewatit TP 260, achieving a total sorption capacity of 0.41 mg Li(I)/mL resin. The findings exhibit the potential of this resin as a viable sorbent for sustainable Li(I) extraction from geothermal brines, supporting the development of green energy technologies and contributing to the circular economy. © 2024 Taylor & Francis Group, LLC.
Citation - WoS: 1
Citation - Scopus: 1
Shallow Shell Ssta63 Resin: a Rapid Approach To Remediation of Hazardous Nitrate
(Royal Society of Chemistry, 2024) Recepoğlu, Yaşar Kemal; Saygi, Mugenur; Recepoğlu, Yaşar Kemal; Arar, Ozgur; 03.02. Department of Chemical Engineering; 03. Faculty of Engineering; 01. Izmir Institute of Technology
This study examines the potential of Purolite Shallow Shell (TM) SSTA63 anion exchange resin for mitigating nitrate ion (NO3-) contamination in aqueous environments. Through systematic experimentation, including dosage optimization, pH dependency, kinetic and desorption studies, we investigate the sorption behavior and practical applications of the resin. Results indicate that the resin effectively removes NO3- ions, with maximum efficiency achieved within 10 minutes. When 0.025 g of resin was used, 75% of NO3- was removed, whereas with 0.05 g, 89% was removed, and with 0.1 g of resin, 95% was removed. At pH 1, approximately 50% of NO3- ions were removed, with removal efficiency reaching 97% between pH 4 and 10. Sorption isotherms affirm the suitability of the Langmuir model for the current investigation. The monolayer maximum sorption capacity (qmax) value was found to be 53.65 mg g-1. The resin demonstrates robust desorption capabilities using 0.1 M hydrochloric acid (HCl), effectively desorbing NO3- above 99%, indicating easy NO3- desorption and resin regeneration. The presence of coexisting ions such as chloride (Cl-), sulfate (SO42-), and phosphate (PO43-) showed a minimal impact on NO3- removal in individual binary mixtures, with efficiencies exceeding 93%, suggesting a strong selectivity of the resin towards NO3-. Purolite SSTA63 anion exchange resin exhibited a high affinity for NO3- ions, even over other competing ions, despite the general trend of ion exchange resins to favor ions with a higher atomic number and valence. Overall, this resin presents a promising solution for NO3- removal, with implications for water treatment and environmental remediation. This study explores the potential of Purolite Shallow Shell (TM) SSTA63 anion exchange resin for mitigating nitrate ion (NO3-) contamination in aqueous environments.
Citation - WoS: 12
Citation - Scopus: 13
A Machine Learning Ensemble Approach for Predicting Solar-Sensitive Hybrid Photocatalysts on Hydrogen Evolution
(IOP Publishing, 2024) Bakır, Rezan; Orak, Ceren; Orak, Ceren; Yüksel Özşen, Aslı; Yuksel, Asli; 01. Izmir Institute of Technology; 03.02. Department of Chemical Engineering; 03. Faculty of Engineering
Hydrogen, as the lightest and most abundant element in the universe, has emerged as a pivotal player in the quest for sustainable energy solutions. Its remarkable properties, such as high energy density and zero emissions upon combustion, make it a promising candidate for addressing the pressing challenges of climate change and transitioning towards a clean and renewable energy future. In an effort to improve efficiency and reduce experimental costs, we adopted machine learning techniques in this study. Our focus turned to predictive analyses of hydrogen evolution values using three photocatalysts, namely, graphene-supported LaFeO3 (GLFO), graphene-supported LaRuO3 (GLRO), and graphene-supported BiFeO3 (GBFO), examining their correlation with varying levels of pH, catalyst amount, and H2O2 concentration. To achieve this, a diverse range of machine learning models are used, including Random Forest (RF), Decision Tree (DT), Support Vector Machine (SVM), XGBoost, Gradient Boosting, and AdaBoost-each bringing its strengths to the predictive modeling arena. An important step involved combining the most effective models-Random Forests, Gradient Boosting, and XGBoost-into an ensemble model. This collaborative approach aimed to leverage their collective strengths and improve overall predictability. The ensemble model emerged as a powerful tool for understanding photocatalytic hydrogen evolution. Standard metrics were employed to assess the performance of our ensemble prediction model, encompassing R squared, Root Mean Squared Error (RMSE), Mean Squared Error (MSE), and Mean Absolute Error (MAE). The yielded results showcase exceptional accuracy, with R squared values of 96.9%, 99.3%, and 98% for GLFO, GBFO, and GLRO, respectively. Moreover, our model demonstrates minimal error rates across all metrics, underscoring its robust predictive capabilities and highlighting its efficacy in accurately forecasting the intricate relationships between GLFO, GBFO, and GLRO values and their influencing factors.
Citation - WoS: 7
Citation - Scopus: 8
Bottom-Up Synthesis of Platinum Dual-Atom Catalysts on Cerium Oxide
(American Chemical Society, 2024) Mekkering, Martijn J.; Kızılkaya, Ali Can; Laan, Petrus C. M.; Troglia, Alessandro; Bliem, Roland; Kızılkaya, Ali Can; Rothenberg, Gadi; Yan, Ning; 03.02. Department of Chemical Engineering; 03. Faculty of Engineering; 01. Izmir Institute of Technology
We present here the synthesis and performance of dual-atom catalysts (DACs), analogous to well-known single-atom catalysts (SACs). DACs feature sites containing pairs of metal atoms and can outperform SACs due to their additional binding possibilities. Yet quantifying the improved catalytic activity in terms of proximity effects remains difficult, as it requires both high-resolution kinetic data and an understanding of the reaction pathways. Here, we use an automated bubble counter setup for comparing the catalytic performance of ceria-supported platinum SACs and DACs in ammonia borane hydrolysis. The catalysts were synthesized by wet impregnation and characterized using SEM, HAADF-STEM, XRD, XPS, and CO-DRIFTS. High-precision kinetic studies of ammonia borane hydrolysis in the presence of SACs show two temperature-dependent regions, with a transition point at 43 degrees C. Conversely, the DACs show only one regime. We show that this is because DACs preorganize both ammonia borane and water at the dual-atom active site. The additional proximal Pt atom improves the reaction rate 3-fold and enables faster reactions at lower temperatures. We suggest that the DACs enable the activation of the water-O-H bond as well as increase the hydrogen spillover effect due to the adjacent Pt site. Interestingly, using ammonia borane hydrolysis as a benchmark reaction gives further insight into hydrogen spillover mechanisms, above what is known from the CO oxidation studies.
Citation - WoS: 10
Citation - Scopus: 13
3D Bioprinting of mouse pre-osteoblasts and human MSCs using bioinks consisting of gelatin and decellularized bone particles
(Iop Publishing Ltd, 2024) Kara, Aylin; Kara, Aylin; Distler, Thomas; Tıhmınlıoğlu, Funda; Akkineni, Ashwini Rahul; Tihminlioglu, Funda; Gelinsky, Michael; Boccaccini, Aldo R.; 03.02. Department of Chemical Engineering; 03.01. Department of Bioengineering; 03. Faculty of Engineering; 01. Izmir Institute of Technology
One of the key challenges in biofabrication applications is to obtain bioinks that provide a balance between printability, shape fidelity, cell viability, and tissue maturation. Decellularization methods allow the extraction of natural extracellular matrix, preserving tissue-specific matrix proteins. However, the critical challenge in bone decellularization is to preserve both organic (collagen, proteoglycans) and inorganic components (hydroxyapatite) to maintain the natural composition and functionality of bone. Besides, there is a need to investigate the effects of decellularized bone (DB) particles as a tissue-based additive in bioink formulation to develop functional bioinks. Here we evaluated the effect of incorporating DB particles of different sizes (<= 45 and <= 100 mu m) and concentrations (1%, 5%, 10% (wt %)) into bioink formulations containing gelatin (GEL) and pre-osteoblasts (MC3T3-E1) or human mesenchymal stem cells (hTERT-MSCs). In addition, we propose a minimalistic bioink formulation using GEL, DB particles and cells with an easy preparation process resulting in a high cell viability. The printability properties of the inks were evaluated. Additionally, rheological properties were determined with shear thinning and thixotropy tests. The bioprinted constructs were cultured for 28 days. The viability, proliferation, and osteogenic differentiation capacity of cells were evaluated using biochemical assays and fluorescence microscopy. The incorporation of DB particles enhanced cell proliferation and osteogenic differentiation capacity which might be due to the natural collagen and hydroxyapatite content of DB particles. Alkaline phosphatase activity is increased significantly by using DB particles, notably, without an osteogenic induction of the cells. Moreover, fluorescence images display pronounced cell-material interaction and cell attachment inside the constructs. With these promising results, the present minimalistic bioink formulation is envisioned as a potential candidate for bone tissue engineering as a clinically translatable material with straightforward preparation and high cell activity.
Mini modular plant design for ethylene production using Martian atmosphere on Mars
(Elsevier, 2024) Deliismail, Özgün; Şeker, Erol; Şeker, Erol; Deliismail, Özgün; 03.02. Department of Chemical Engineering; 03. Faculty of Engineering; 01. Izmir Institute of Technology
A main shift in the competitive landscape of technology development is in 3D printing of complex articles made of variety of materials due to faster manufacturing and less human error in the production. In fact, it seems to be a viable candidate for the construction of structures for terrestrial and extraterrestrial life in future. Thus, new or damaged equipment in space explorations could be replaced instantly, and habitats could be manufactured using 3D printing in varying gravitational fields in the solar system. Among 3D printing materials, HDPE is commonly used in the projects, such as a prototype manufacturing or pipes or damp-proof membrane. This study initially focused on the preliminary design of the self-sustaining mini ethylene production plant from Martian atmosphere with scale-out architecture. UniSIM® was integrated with MATLAB® via CAPE-OPEN extension to design mini-ethylene production plant at low gravity. Ethylene capacity was found as 17.71 tons/year for 100 modules. © 2023 COSPAR
Simultaneous Topology Design and Optimization of Pde Constrained Processes Based on Mixed Integer Formulations
(Elsevier, 2024) Ertürk, Emrullah; Şıldır, Hasan; Deliismail, Özgün; Deliismail, Özgün; Şıldır, Hasan; 03.02. Department of Chemical Engineering; 03. Faculty of Engineering; 01. Izmir Institute of Technology
Simultaneous topological design and optimization of complex processes that are described by partial differential equations is a challenging but promising research area. Widely adopted nested and sequential approaches are mostly applicable based on heuristic solutions, hindering the theoretical improvement potential due to decentralized decision-making in subsequent stages with a significant number of trial-and-error procedures. This study introduces a mixed integer formulation addressing the governing equations and case-dependent topological constraints at each discretization point, enabling solutions through rigorous solvers under process-related constraints and objectives. Nonlinear expressions in the formulations are further tailored using piecewise linear approximations, still representing the major nonlinear trends through a mixed-integer linear nature to favor global optimality and benefit from computational advancements, when needed. Heat and Stokes flow problems are used as case studies to demonstrate the applicability of the methodology. © 2024 Elsevier B.V.
Citation - WoS: 4
Citation - Scopus: 4
Breakthrough Curve Analysis of Phosphorylated Hazelnut Shell Waste in Column Operation for Continuous Harvesting of Lithium From Water
(Elsevier, 2024) Recepoğlu, Yaşar Kemal; Recepoğlu, Yaşar Kemal; Arar, Ozguer; Yüksel Özşen, Aslı; Yuksel, Asli; 03.02. Department of Chemical Engineering; 03. Faculty of Engineering; 01. Izmir Institute of Technology
In batch-scale operations, biosorption employing phosphorylated hazelnut shell waste (FHS) revealed excellent lithium removal and recovery efficiency. Scaling up and implementing packed bed column systems necessitates further design and performance optimization. Lithium biosorption via FHS was investigated utilizing a continuous-flow packed-bed column operated under various flow rates and bed heights to remove Li to ultra-low levels and recover it. The Li biosorption capacity of the FHS column was unaffected by the bed height, however, when the flow rate was increased, the capacity of the FHS column decreased. The breakthrough time, exhaustion time, and uptake capacity of the column bed increased with increasing column bed height, whereas they decreased with increasing influent flow rate. At flow rates of 0.25, 0.5, and 1.0 mL/min, bed volumes (BVs, mL solution/mL biosorbent) at the breakthrough point were found to be 477, 369, and 347, respectively, with the required BVs for total saturation point of 941, 911, and 829, while the total capacity was calculated as 22.29, 20.07, and 17.69 mg Li/g sorbent. In the 1.0, 1.5, and 2.0 cm height columns filled with FHS, the breakthrough times were 282, 366, and 433 min, respectively, whereas the periods required for saturation were 781, 897, and 1033 min. The three conventional breakthrough models of the Thomas, Yoon-Nelson, and Modified Dose-Response (MDR) were used to properly estimate the whole breakthrough behavior of the FHS column and the characteristic model parameters. Li's extremely favorable separation utilizing FHS was evidenced by the steep S-shape of the breakthrough curves for both parameters flow rate and bed height. The reusability of FHS was demonstrated by operating the packed bed column in multi-cycle mode, with no appreciable loss in column performance.
Citation - WoS: 3
Citation - Scopus: 2
Atomic-Scale Insights Into Carbon Dioxide Hydrogenation Over Bimetallic Iron-Cobalt Catalysts: a Density Functional Theory Study
(MDPI, 2023) Tuncer, Dilan; Kızılkaya, Ali Can; Kızılkaya, Ali Can; 03.02. Department of Chemical Engineering; 03. Faculty of Engineering; 01. Izmir Institute of Technology
The conversion of carbon dioxide to fuels and chemicals is a promising long-term approach for mitigating CO2 emissions. Despite extensive experimental efforts, a fundamental understanding of the bimetallic catalytic structures that selectively produce the desired products is still lacking. Here, we report on a computational surface science approach into the effect of the Fe doping of Co(111) surfaces in relation to CO2 hydrogenation to C1 products. Our results indicate that Fe doping increases the binding strength of surface species but slightly decreases the overall catalytic activity due to an increase in the rate-limiting step of CO dissociation. FeCo(111) surfaces hinder hydrogenation reactions due to lower H coverages and higher activation energies. These effects are linked to the Lewis basic character of the Fe atoms in FeCo(111), leading to an increased charge on the adsorbates. The main effect of Fe doping is identified as the inhibition of oxygen removal from cobalt surfaces, which can be expected to lead to the formation of oxidic phases on bimetallic FeCo catalysts. Overall, our study provides comprehensive mechanistic insights related to the effect of Fe doping on the catalytic behavior and structural evolution of FeCo bimetallic catalysts, which can contribute to the rational design of bimetallic catalysts.
Citation - WoS: 22
Citation - Scopus: 22
Molecular Separation by Using Active and Passive Microfluidic Chip Designs: a Comprehensive Review
(Wiley, 2023) Ebrahimi, Aliakbar; Sırma Tarım, Burcu; Didarian, Reza; Tekin, Hüseyin Cumhur; Shih, Chih-Hsin; Nasseri, Behzad; Ethan Li, Yi-Chen; Shih, Steven; İçöz, Kutay; Tarım, Ergün Alperay; Akpek, Ali; Çeçen, Berivan; Bal Öztürk, Ayça; Güleç, Kadri; Tarım, Burcu Sırma; Tekin, Hüseyin Cumhur; 03.01. Department of Bioengineering; 03.02. Department of Chemical Engineering; 03. Faculty of Engineering; 01. Izmir Institute of Technology
Separation and identification of molecules and biomolecules such as nucleic acids, proteins, and polysaccharides from complex fluids are known to be important due to unmet needs in various applications. Generally, many different separation techniques, including chromatography, electrophoresis, and magnetophoresis, have been developed to identify the target molecules precisely. However, these techniques are expensive and time consuming. “Lab-on-a-chip” systems with low cost per device, quick analysis capabilities, and minimal sample consumption seem to be ideal candidates for separating particles, cells, blood samples, and molecules. From this perspective, different microfluidic-based techniques have been extensively developed in the past two decades to separate samples with different origins. In this review, “lab-on-a-chip” methods by passive, active, and hybrid approaches for the separation of biomolecules developed in the past decade are comprehensively discussed. Due to the wide variety in the field, it will be impossible to cover every facet of the subject. Therefore, this review paper covers passive and active methods generally used for biomolecule separation. Then, an investigation of the combined sophisticated methods is highlighted. The spotlight also will be shined on the elegance of separation successes in recent years, and the remainder of the article explores how these permit the development of novel techniques. © 2023 The Authors. Advanced Materials Interfaces published by Wiley-VCH GmbH.
Citation - WoS: 3
Citation - Scopus: 4
Inverse Effects of Lanthanide Co-Doping on the Photocatalytic Hydrogen Production and Dye Degradation Activities of Cu Doped Sol-Gel Tio₂
(Elsevier, 2023) Yurtsever, Husnu Arda; Çiftçioğlu, Muhsin; Erzin, Kubilay; Ciftcioglu, Muhsin; Yurtsever, Hüsnü Arda; Erzin, Kubilay; Çiftçioğlu, Muhsin; 03.02. Department of Chemical Engineering; 03. Faculty of Engineering; 01. Izmir Institute of Technology
Copper doped and lanthanide-copper co-doped titania powders were prepared by sol-gel technique and the effects of co-doping on the photocatalytic reduction and oxidation activities of titania were investigated in this work. Characterization studies indicated that a reduced structure was formed due to the presence of Ti3+ species in copper doped titania powder and a more stable structure was formed when lanthanides were used as co-dopants. Copper doped powder had a significantly higher activity in photocatalytic hydrogen production (1037 mu mol/g/h) than the co-doped powders (similar to 400 mu mol/g/h). The oxidation activities of co-doped powders however were determined to be about 2 times higher than that of the copper doped powder. The decrease in the reduction activity was attributed to the decrease in the number of Ti3+ sites, whereas the increase in oxidation activity was probably a result of the increase in the surface area and dye adsorption due to lanthanide co-doping.
Citation - Scopus: 1
Data Driven Leak Detection in a Real Heat Exchanger in an Oil Refinery
(Elsevier, 2023) Yasmal, Aslı; Uzunlar, Erdal; Kuşoğlu Kaya, Gizem; Oktay, Emirhan; Çölmekci, Ceylan; Uzunlar, Erdal; 03.02. Department of Chemical Engineering; 03. Faculty of Engineering; 01. Izmir Institute of Technology
This study focuses on implementation of a data-based leak detection method in a heat exchanger in a petroleum refinery. We have studied on the two real leakage cases in a heat exchanger in Izmit TUPRAS Refinery. Leaks are one of the major problems that occur in operations. The autoencoder (AE) method is implemented for leak detection. Reconstruction error is used as the leak indicator. In case of leakage, the reconstruction value is expected to increase. For both cases examined, the reconstruction error is found to be around 1-5 under normal operating conditions. On the other hand, reconstruction error is observed to change between 10 and 60 under the conditions with leakage. Besides, the AE is able to indicate the start of one leakage case before the process engineers noticed it. © 2023 Elsevier B.V.

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