@incollection{JafarKhanSafdarJafarietal., author = {Jafar Khan, Maria and Safdar, Muddasar and Jafari, Mitra and Arellano-Garcia, Harvey}, title = {Methods of indirect conversion of CO2 to methanol}, series = {Reference Module in Chemistry, Molecular Sciences and Chemical Engineering}, volume = {2024}, booktitle = {Reference Module in Chemistry, Molecular Sciences and Chemical Engineering}, publisher = {Elsevier}, doi = {https://doi.org/10.1016/B978-0-443-15740-0.00155-5}, abstract = {The promptly increasing CO2 concentration in the atmosphere causes a major climate change, requiring effective way of its mitigation. The indirect conversion of CO2 to methanol via syngas is a promising strategy to control greenhouse gas emissions and produce valuable feedstock's and chemicals. This chapter focuses on different indirect CO2 conversion methods to methanol, multistep processes that involve capturing of carbon dioxide, intermediate formation syngas, type of catalyst used, and then hydrogenation to methanol. Indirect conversion of CO2 involves two steps, the production of syngas which is known as a mixture of carbon monoxide and hydrogen followed by methanol integration and catalyst-based hydrogenation of CO2. The economic feasibility, the effectiveness of different methods, development, and optimization of catalysts along with reaction conditions are thoroughly discussed in this chapter. The chapter concluded with the direction of suitable methods to convert carbon dioxide into methanol along with the future research development in the methodology to reduce greenhouse emissions and advance the production of sustainable chemicals.}, language = {en} } @incollection{ShafieeArellanoGarcia, author = {Shafiee, Parisa and Arellano-Garcia, Harvey}, title = {Photocatalysts in CO2 direct conversion to methanol}, series = {Reference Module in Chemistry, Molecular Sciences and Chemical Engineering}, volume = {2024}, booktitle = {Reference Module in Chemistry, Molecular Sciences and Chemical Engineering}, doi = {https://doi.org/10.1016/B978-0-443-15740-0.00121-X}, abstract = {The escalating global industrialization has led to fossil fuel scarcity and environmental deterioration, with CO2 levels rising significantly. To combat climate change, researchers are focusing on renewable energy and carbon capture technologies. This chapter reviews recent progress on photocatalytic conversion of CO2 to methanol, a promising approach for greenhouse gas reduction and sustainable energy production. Methanol, a versatile chemical feedstock and potential renewable fuel, can be synthesized from CO2 using solar energy and semiconductor photocatalysts. This chapter covers the fundamentals, mechanisms, materials development, photocatalysts design strategies, and preparation processes for this technology. Despite challenges in achieving high efficiency, CO2 photocatalytic reduction to methanol offers an attractive green alternative to traditional fossil-based methanol production. This comprehensive overview consolidates the current research landscape, providing insights to guide future advancements towards scalable and economically viable CO2 photocatalytic methanol synthesis.}, language = {en} } @incollection{ShafieeArellanoGarcia, author = {Shafiee, Parisa and Arellano-Garcia, Harvey}, title = {Heterogeneous and Homogeneous Catalysts in CO2 Direct Conversion to Methanol}, series = {Reference Module in Chemistry, Molecular Sciences and Chemical Engineering}, volume = {2024}, booktitle = {Reference Module in Chemistry, Molecular Sciences and Chemical Engineering}, publisher = {Elsevier}, doi = {https://doi.org/10.1016/B978-0-443-15740-0.00119-1}, abstract = {Catalytic conversion of CO2 into valuable products offers a promising solution to mitigate climate change by closing the carbon cycle. However, activating the thermodynamically stable and kinetically inert CO2 molecule remains a significant scientific challenge. This chapter focuses on homogeneous and heterogeneous catalysts for the direct conversion of CO2 to methanol, a valuable chemical feedstock and potential fuel. It introduces the importance of this process for reducing carbon emissions and outlines the chapter's objectives. The fundamentals of heterogeneous catalysis and catalyst design principles for methanol synthesis from CO2 are discussed. Various types of heterogeneous catalysts are examined, along with the mechanisms involved in CO2 activation and hydrogenation to methanol. Strategies to enhance catalyst selectivity, product distribution, and performance are explored, as well as challenges and future research directions. This comprehensive chapter serves as a guide to understanding the pivotal role of heterogeneous catalysts in the direct catalytic conversion of CO2 to methanol.}, language = {en} } @incollection{JafariArellanoGarcia, author = {Jafari, Mitra and Arellano-Garcia, Harvey}, title = {CO2 sources and features for direct CO2 conversion to methanol}, series = {Reference Module in Chemistry, Molecular Sciences and Chemical Engineering}, volume = {2024}, booktitle = {Reference Module in Chemistry, Molecular Sciences and Chemical Engineering}, doi = {https://doi.org/10.1016/B978-0-443-15740-0.00127-0}, abstract = {In recent years, global concern over climate change caused by the accumulation of atmospheric CO2 has intensified. While various technologies for capturing CO2 have been proposed, utilizing captured CO2 from power plants is gaining popularity due to the concerns about the safety and effectiveness of underground and ocean storage methods. This article explores several techniques for utilizing CO2 from exhaust gases emitted by power plants. It provides a comprehensive review of current and emerging technologies worldwide that aim to harness CO2 for beneficial purposes. The conversion of CO2 into chemicals and energy products represents a promising approach to not only mitigate CO2 emissions but also enhance economic value. However, since CO2 lacks hydrogen, which is essential for many chemical processes, the development of clean, sustainable, and cost-effective hydrogen sources is crucial. This chapter delves into the literature surrounding the production of biofuels derived from microalgae cultivated using captured CO2, the conversion of CO2 combined with hydrogen into various chemicals, specially methanol and the exploration of sustainable hydrogen sources. These efforts collectively underscore the potential of CO2 utilization as a pivotal strategy in the battle against climate change and for fostering sustainable industrial practices.}, language = {en} } @incollection{JafariArellanoGarcia, author = {Jafari, Mitra and Arellano-Garcia, Harvey}, title = {Shift from syngas to CO2 for methanol production}, series = {Reference Module in Chemistry, Molecular Sciences and Chemical Engineering}, volume = {2024}, booktitle = {Reference Module in Chemistry, Molecular Sciences and Chemical Engineering}, doi = {https://doi.org/10.1016/B978-0-443-15740-0.00126-9}, abstract = {This chapter delves into diverse methodologies for converting carbon dioxide (CO2) into methanol, employing homogeneous and heterogeneous catalysts through hydrogenation, photochemical, electrochemical, and photo-electrochemical techniques. Given the significant contribution of CO2 to global warming, utilizing it for fuel and chemical production stands as a sustainable approach to environmental conservation. However, due to high stability and low reactivity of CO2, the development of appropriate methods and catalysts is crucial for breaking its bonds to yield valuable chemicals like methanol. Also, in this chapter various methods and their mechanisms for CO2 conversion to methanol are described. Finally, new types of catalyst and their characteristics for CO2 hydrogenation to methanol are introduced and discussed in detail.}, language = {en} } @incollection{ShafieeArellanoGarcia, author = {Shafiee, Parisa and Arellano-Garcia, Harvey}, title = {Electrocatalysts in CO2 direct conversion to methanol}, series = {Reference Module in Chemistry, Molecular Sciences and Chemical Engineering}, volume = {2024}, booktitle = {Reference Module in Chemistry, Molecular Sciences and Chemical Engineering}, doi = {https://doi.org/10.1016/B978-0-443-15740-0.00120-8}, abstract = {By now, atmospheric CO2 levels necessitate new ways of reducing them more than ever with increasing global warming and climate change. Converting CO2 into valuable products like methanol fuel presents a solution by reducing atmospheric CO2 while creating economic opportunities. This chapter reviews the state-of-the-art in electrocatalytic CO2-to-methanol conversion technologies, covering basic electrocatalysis principles, electrocatalyst materials, design strategies, performance optimization, mechanistic pathways, catalyst compositions, technological hurdles, and potential solutions. It also examines environmental impacts, economic aspects, and scaling up possibilities, aiming to provide a comprehensive technological, economic and environmental overview of this sustainable energy solution for climate change mitigation, highlighting the critical role of innovation in addressing global challenges for a more sustainable future.}, language = {en} } @misc{MappasDorneanuVassiliadisetal., author = {Mappas, Vassileios and Dorneanu, Bogdan and Vassiliadis, Vassilios S. and Arellano-Garc{\´i}a, Harvey}, title = {Multistage optimal control and nonlinear programming formulation for automated control loop selection}, series = {Computer Aided Chemical Engineering}, volume = {53}, journal = {Computer Aided Chemical Engineering}, issn = {1570-7946}, doi = {10.1016/B978-0-443-28824-1.50327-6}, pages = {1957 -- 1962}, abstract = {Control loop design, as well as controller tuning, constitute the pillars of process control to achieve design specifications and smooth process operation, and to meet predefined performance criteria. Currently, state-of-the-art approaches have focused on methods that yield only the pairings between input and output methods, and are not able to incorporate path and end-point constraints. This work introduces a novel strategy based on the multistage optimal control formulation of the control loop selection problem. This approach overcomes the drawbacks of traditional methods by producing an automated integrated solution for the task of control loop design. Furthermore, it obviates the need for any form of combinatorial optimization and incorporating path and terminal constraints. The results show that the proposed solution framework produces the same control loops as in the case of traditional approaches, however the inclusion of path and end-point constraints improves the performance of the control profiles.}, language = {en} } @misc{DorneanuKeykhaArellanoGarcia, author = {Dorneanu, Bogdan and Keykha, Mina and Arellano-Garc{\´i}a, Harvey}, title = {Assessment of parameter uncertainty in the maintenance scheduling of reverse osmosis networks via a multistage optimal control reformulation}, series = {Computer Aided Chemical Engineering}, volume = {53}, journal = {Computer Aided Chemical Engineering}, issn = {1570-7946}, doi = {10.1016/B978-0-443-28824-1.50326-4}, pages = {1951 -- 1956}, abstract = {In this work, the influence of uncertain parameters on the maintenance scheduling of Reverse Osmosis Networks (RONs) is explored. Based on a foundation of successful applications in various maintenance optimization domains, this paper extends the methodology to the domain of RON regeneration actions planning, highlighting its adaptability to diverse areas of dynamic processes with planning uncertainty. Traditional approaches in membrane cleaning scheduling have predominantly relied on MixedInteger Nonlinear Programming (MINLP), often leading to combinatorial problems that fail to capture the dynamic nature of the system. As part of this study, a novel approach based on the Multistage Integer Nonlinear Optimal Control Problem (MSINOCP) formulation is used to automate and optimize membrane cleaning scheduling without requiring combinatorial optimization. To evaluate the consequences of parameter uncertainty, 26 scenarios are considered in which the cost of the energy unit is considered as variable based on a random distribution, and these results are compared to a scenario where a fixed cost parameter is assumed. The findings show that when the cost of energy is considered as an uncertain parameter, the optimization process requires more frequent cleaning measures.}, language = {en} } @misc{DorneanuZhangVassiliadisetal., author = {Dorneanu, Bogdan and Zhang, Sushen and Vassiliadis, Vassilios S. and Arellano-Garc{\´i}a, Harvey}, title = {Optimizing deep neural networks through hierarchical multiscale parameter tuning}, series = {Computer Aided Chemical Engineering}, volume = {53}, journal = {Computer Aided Chemical Engineering}, issn = {1570-7946}, doi = {10.1016/B978-0-443-28824-1.50155-1}, pages = {925 -- 930}, abstract = {Deep neural networks (DNNs) are frequently employed for information extraction in big data applications across various domains; however, their application in real-time industrial systems is hindered by constraints such as limited computational, storage capacity, energy availability, and time constraints. This contribution introduces the development of a novel hierarchical multiscale framework for the training of DNNs that incorporates neural sensitivity analysis for the automatic and selective training of neurons evaluated to be the most effective. This alternative training methodology generates local minima that closely match or surpass those achieved by traditional approaches, such as the backpropagation method, utilizing identical starting points for comparative purposes.}, language = {en} } @misc{VassiliadisMappasEspaasetal., author = {Vassiliadis, Vassilios S. and Mappas, Vassileios and Espaas, Tomas A. and Dorneanu, Bogdan and Isafiade, Adeniyi and M{\"o}ller, Klaus and Arellano-Garc{\´i}a, Harvey}, title = {Reloading process systems engineering within chemical engineering}, series = {Chemical Engineering Research and Design}, volume = {209}, journal = {Chemical Engineering Research and Design}, doi = {10.1016/j.cherd.2024.07.066}, pages = {380 -- 398}, abstract = {Established as a sub-discipline of Chemical Engineering in the 1960s by the late Professor R.W.H. Sargent at Imperial College London, Process Systems Engineering (PSE) has played a significant role in advancing the field, positioning it as a leading engineering discipline in the contemporary technological landscape. Rooted in Applied Mathematics and Computing, PSE aligns with the key components driving advancements in our modern, information-centric era. Sargent's visionary foresight anticipated the evolution of early computational tools into fundamental elements for future technological and scientific breakthroughs, all while maintaining a central focus on Chemical Engineering. This paper aims to present concise and concrete ideas for propelling PSE into a new era of progress. The objective is twofold: to preserve PSE's extensive and diverse knowledge base and to reposition it more prominently within modern Chemical Engineering, while also establishing robust connections with other data-driven engineering and applied science domains that play important roles in industrial and technological advancements. Rather than merely reacting to contemporary challenges, this article seeks to proactively create opportunities to lead the future of Chemical Engineering across its vital contributions in education, research, technology transfer, and business creation, fully leveraging its inherent multidisciplinarity and versatile character.}, language = {en} } @misc{QuinlanBrooksGhaemietal., author = {Quinlan, Laura and Brooks, Talia and Ghaemi, Nasrin and Arellano-Garc{\´i}a, Harvey and Irandoost, Maryam and Sharifianjazi, Fariborz and Amini Horri, Bahman}, title = {Synthesis and characterisation of nanocrystalline CoxFe1-xGDC powders as a functional anode material for the solid oxide fuel cell}, series = {Materials}, volume = {17}, journal = {Materials}, number = {15}, publisher = {MDPI}, issn = {1996-1944}, doi = {10.3390/ma17153864}, pages = {26}, abstract = {The necessity for high operational temperatures presents a considerable obstacle to the commercial viability of solid oxide fuel cells (SOFCs). The introduction of active co-dopant ions to polycrystalline solid structures can directly impact the physiochemical and electrical properties of the resulting composites including crystallite size, lattice parameters, ionic and electronic conductivity, sinterability, and mechanical strength. This study proposes cobalt-iron-substituted gadolinium-doped ceria (CoxFe1-xGDC) as an innovative, nickel-free anode composite for developing ceramic fuel cells. A new co-precipitation technique using ammonium tartrate as the precipitant in a multi-cationic solution with Co2+, Gd3+, Fe3+, and Ce3+ ions was utilized. The physicochemical and morphological characteristics of the synthesized samples were systematically analysed using a comprehensive set of techniques, including DSC/TGA for a thermal analysis, XRD for a crystallographic analysis, SEM/EDX for a morphological and elemental analysis, FT-IR for a chemical bonding analysis, and Raman spectroscopy for a vibrational analysis. The morphological analysis, SEM, showed the formation of nanoparticles (≤15 nm), which corresponded well with the crystal size determined by the XRD analysis, which was within the range of ≤10 nm. The fabrication of single SOFC bilayers occurred within an electrolyte-supported structure, with the use of the GDC as the electrolyte layer and the CoO-Fe2O3/GDC composite as the anode. SEM imaging and the EIS analysis were utilized to examine the fabricated symmetrical cells.}, language = {en} } @misc{SohailRiedelDorneanuetal., author = {Sohail, Norman and Riedel, Ramona and Dorneanu, Bogdan and Arellano-Garc{\´i}a, Harvey}, title = {Prolonging the Life Span of Membrane in Submerged MBR by the Application of Different Anti-Biofouling Techniques}, series = {Membranes}, volume = {13}, journal = {Membranes}, number = {2}, issn = {2077-0375}, doi = {10.3390/membranes13020217}, abstract = {The membrane bioreactor (MBR) is an efficient technology for the treatment of municipal and industrial wastewater for the last two decades. It is a single stage process with smaller footprints and a higher removal efficiency of organic compounds compared with the conventional activated sludge process. However, the major drawback of the MBR is membrane biofouling which decreases the life span of the membrane and automatically increases the operational cost. This review is exploring different anti-biofouling techniques of the state-of-the-art, i.e., quorum quenching (QQ) and model-based approaches. The former is a relatively recent strategy used to mitigate biofouling. It disrupts the cell-to-cell communication of bacteria responsible for biofouling in the sludge. For example, the two strains of bacteria Rhodococcus sp. BH4 and Pseudomonas putida are very effective in the disruption of quorum sensing (QS). Thus, they are recognized as useful QQ bacteria. Furthermore, the model-based anti-fouling strategies are also very promising in preventing biofouling at very early stages of initialization. Nevertheless, biofouling is an extremely complex phenomenon and the influence of various parameters whether physical or biological on its development is not completely understood. Advancing digital technologies, combined with novel Big Data analytics and optimization techniques offer great opportunities for creating intelligent systems that can effectively address the challenges of MBR biofouling.}, language = {en} }