@misc{TarifaRamirezReinaGonzalezCastanoetal., author = {Tarifa, Pilar and Ramirez Reina, Tomas and Gonz{\´a}lez-Casta{\~n}o, Miriam and Arellano-Garc{\´i}a, Harvey}, title = {Catalytic Upgrading of Biomass-Gasification Mixtures Using Ni-Fe/MgAl₂O₄ as a Bifunctional Catalyst}, series = {Energy and Fuels}, volume = {36}, journal = {Energy and Fuels}, number = {15}, issn = {1520-5029}, doi = {10.1021/acs.energyfuels.2c01452}, pages = {8267 -- 8273}, abstract = {Biomass gasification streams typically contain a mixture of CO, H2, CH4, and CO2 as the majority components and frequently require conditioning for downstream processes. Herein, we investigate the catalytic upgrading of surrogate biomass gasifiers through the generation of syngas. Seeking a bifunctional system capable of converting CO2 and CH4 to CO, a reverse water gas shift (RWGS) catalyst based on Fe/MgAl2O4 was decorated with an increasing content of Ni metal and evaluated for producing syngas using different feedstock compositions. This approach proved efficient for gas upgrading, and the incorporation of adequate Ni content increased the CO content by promoting the RWGS and dry reforming of methane (DRM) reactions. The larger CO productivity attained at high temperatures was intimately associated with the generation of FeNi3 alloys. Among the catalysts' series, Ni-rich catalysts favored the CO productivity in the presence of CH4, but important carbon deposition processes were noticed. On the contrary, 2Ni-Fe/MgAl2O4 resulted in a competitive and cost-effective system delivering large amounts of CO with almost no coke deposits. Overall, the incorporation of a suitable realistic application for valorization of variable composition of biomass-gasification derived mixtures obtaining a syngas-rich stream thus opens new routes for biosyngas production and upgrading.}, language = {en} } @misc{RuanDorneanuArellanoGarciaetal., author = {Ruan, Hang and Dorneanu, Bogdan and Arellano-Garc{\´i}a, Harvey and Xiao, Pei and Zhang, Li}, title = {Deep Learning-Based Fault Prediction in Wireless Sensor Network Embedded Cyber-Physical Systems for Industrial Processes}, series = {IEEE Access}, volume = {10}, journal = {IEEE Access}, issn = {2169-3536}, doi = {10.1109/ACCESS.2022.3144333}, pages = {10867 -- 10879}, abstract = {This paper investigates the challenging fault prediction problem in process industries that adopt autonomous and intelligent cyber-physical systems (CPS), which is in line with the emerging developments of industrial internet of things (IIoT) and Industry 4.0. Particularly, we developed an end-to-end deep learning approach based on a large volume of real-time sensory data collected from a chemical plant equipped with wireless sensors. Firstly, a novel recursive architecture with multi-lookback inputs is proposed to perform autoregression on imbalanced time-series data as a preliminary prediction. In this process, a novel learning algorithm named recursive gradient descent (RGD) is developed for the proposed architecture to reduce cumulative prediction uncertainties. Subsequently, a classification model based on temporal convolutions over multiple channels with decay effect is proposed to perform multi-class classification for fault root cause identification and localization. The overall network is named the cumulative uncertainty reduction network (CURNet), for its superior capacity in reducing prediction uncertainties accumulated over multiple prediction steps. Performance evaluations show that CURNet is able to achieve superior performance especially in terms of fault prediction recall and fault type classification accuracy, compared to the existing techniques.}, language = {en} } @misc{SaavedraAlejandroParedesFloresSantosetal., author = {Saavedra, Stephy and Alejandro-Paredes, Luis and Flores-Santos, Juan Carlos and Flores-Fern{\´a}ndez, Carol Nathali and Arellano-Garc{\´i}a, Harvey and Zavaleta, Amparo Iris}, title = {Optimization of lactic acid production by Lactobacillus plantarum strain Hui1 in a medium containing sugar cane molasses}, series = {Agronom{\´i}a Colombiana}, volume = {39}, journal = {Agronom{\´i}a Colombiana}, number = {1}, issn = {0120-9965}, doi = {10.15446/agron.colomb.v39n1.89674}, pages = {98 -- 107}, abstract = {The aim of this study was to optimize lactic acid production by a native strain (Huil) of Lactobacillus plantarum isolated from a Peruvian Amazon fruit (Genipa americana) in a medium supplemented with an agroindustrial by-product such as sugar cane molasses. Optimization was performed though one-factor-at-a-time studies followed by the Placket-Burman and central composite designs. The data were analyzed by using the Statistica® 10 software. Several carbon, nitrogen and ion sources were tested, and the optimum concentration of lactic acid achieved was 84.2 g L-1 in a medium containing as follows (in g L-1): meat extract, 18.69; tryptone, 7.88; sugar cane molasses, 140; calcium carbonate, 15; dipotassium phosphate, 1; manganese phosphate, 0.03; sodium acetate, 5, and magnesium sulphate, 0.2. In addition, a high degree of conversion from sugar cane molasses to lactic acid was obtained (Yp/e 0.898 g g-1). These results indicate the potential of Lactobacil-lus plantarum strain Hui1 to produce lactic acid in a medium supplemented with sugar cane molasses, an underutilized industrial by-product.}, language = {en} } @incollection{DorneanuArellanoGarciaRuanetal., author = {Dorneanu, Bogdan and Arellano-Garc{\´i}a, Harvey and Ruan, Hang and Mohamed, Abdelrahim and Xiao, Pei and Heshmat, Mohamed and Gao, Yang}, title = {Towards fault detection and self-healing of chemical processes over wireless sensor networks}, series = {Industry 4.0 - Shaping The Future of The Digital World}, booktitle = {Industry 4.0 - Shaping The Future of The Digital World}, edition = {1st edition}, publisher = {CRC Press}, address = {London, United Kingdom}, isbn = {9780367823085}, doi = {10.1201/9780367823085-02}, pages = {9 -- 14}, abstract = {This contribution introduces a framework for the fault detection and healing of chemical processes over wireless sensor networks. The approach considers the development of a hybrid system which consists of a fault detection method based on machine learning, a wireless communication model and an ontology-based multi-agent system with a cooperative control for the process monitoring.}, language = {en} } @incollection{DorneanuArellanoGarciaHeshmatetal., author = {Dorneanu, Bogdan and Arellano-Garc{\´i}a, Harvey and Heshmat, Mohamed and Gao, Yang}, title = {A framework for intelligent monitoring and control of chemical processes with multi-agent systems}, series = {Industry 4.0 - Shaping The Future of The Digital World}, booktitle = {Industry 4.0 - Shaping The Future of The Digital World}, edition = {1st edition}, publisher = {CRC Press}, address = {London, United Kingdom}, isbn = {9780367823085}, doi = {10.1201/9780367823085-04}, pages = {18 -- 23}, abstract = {Industry 4.0 is transforming chemical processes into complex, smart cyber-physical systems that require intelligent methods to support the operators in taking decisions for better and safer operation. In this paper, a multi-agent cooperative-based model predictive system for monitoring and control of a chemical process is proposed. This system uses ontology to formally represent the system knowledge. By integrating the cooperative-based model predictive controller with the multi-agent system, the control can be improved, and the process can be converted into a self-adaptive system.}, language = {en} } @misc{KetabchiMechleriArellanoGarcia, author = {Ketabchi, Elham and Mechleri, Evgenia and Arellano-Garc{\´i}a, Harvey}, title = {Increasing operational efficiency through the integration of an oil refinery and an ethylene production plant}, series = {Chemical Engineering Research and Design}, volume = {152}, journal = {Chemical Engineering Research and Design}, issn = {1744-3563}, doi = {10.1016/j.cherd.2019.09.028}, pages = {85 -- 94}, abstract = {In this work, the optimal integration between an oil refinery and an ethylene production plant has been investigated. Both plants are connected using intermediate materials aiming to remove, at least partially, the reliance on external sourcing. This integration has been proven to be beneficial in terms of quality and profit increase for both production systems. Thus, three mathematical models have been formulated and implemented for each plant individually as well as for the integrated system as MINLP models aiming to optimise all three systems. Moreover, a case study using practical data is presented to verify the feasibility of the integration within an industrial environment. Promising results have been obtained demonstrating significant profit increase in both plants.}, language = {en} } @misc{KetabchiPastorPerezArellanoGarciaetal., author = {Ketabchi, Elham and Pastor-Perez, Laura and Arellano-Garc{\´i}a, Harvey and Ramirez Reina, Tomas}, title = {Influence of Reaction Parameters on the Catalytic Upgrading of an Acetone, Butanol and Ethanol (ABE) Mixture: Exploring New Routes for Modern Biorefineries}, series = {Frontiers in Chemistry}, volume = {7}, journal = {Frontiers in Chemistry}, issn = {2296-2646}, doi = {10.3389/fchem.2019.00906}, abstract = {Here we present a comprehensive study on the effect of reaction parameters on the upgrade of an acetone, butanol and ethanol mixture - key molecules and platform products of great interest within the chemical sector. Using a selected high performing catalyst, Fe/MgO-Al2O3, the variation of temperature, reaction time, catalytic loading and reactant molar ratio have been examined in this reaction. This work is aiming to not only optimise the reaction conditions previously used, but to step towards using less energy, time and material by testing those conditions and analysing the sufficiency of the results. Herein we demonstrate that this reaction is favoured at higher temperatures and longer reaction time. Also, we observe that increasing the catalyst loading had a positive effect on the product yields, while reactant ratios have shown to produce varied results due to the role of each reactant in the complex reaction network. In line with the aim of reducing energy and costs, this work showcases that the products from the upgrading route have significantly higher market value than the reactants; highlighting that this process represents an appealing route to be implemented in modern biorefineries.}, language = {en} } @misc{KetabchiPastorPerezRamirezReinaetal., author = {Ketabchi, Elham and Pastor-Perez, Laura and Ramirez Reina, Tomas and Arellano-Garc{\´i}a, Harvey}, title = {Catalytic upgrading of acetone, butanol and ethanol (ABE): A step ahead for the production of added value chemicals in bio-refineries}, series = {Renewable Energy}, volume = {156}, journal = {Renewable Energy}, issn = {1879-0682}, doi = {10.1016/j.renene.2020.04.152}, pages = {1065 -- 1075}, abstract = {With the aim of moving towards sustainability and renewable energy sources, we have studied the production of long chain hydrocarbons from a renewable source of biomass to reduce negative impacts of greenhouse gas emissions while providing a suitable alternative for fossil fuel-based processes. Herein we report a catalytic strategy for Acetone, Butanol and Ethanol (ABE) upgrading using economically viable catalysts with potential impact in modern bio-refineries. Our catalysts based on transition metals such as Ni, Fe and Cu supported on MgO-Al2O3 have been proven to perform exceptionally with outstanding conversions towards the production of a broad range of added value chemicals from C2 to C15. Although all catalysts displayed meritorious performance, the Fe catalyst has shown the best results in terms conversion (89\%). Interestingly, the Cu catalyst displays the highest selectivity towards long chain hydrocarbons (14\%). Very importantly, our approach suppresses the utilization of solvents and additives resulting directly in upgraded hydrocarbons that are of use in the chemical and/or the transportation industry. Overall, this seminal work opens the possibility to consider ABE upgrading as a viable route in bio-refineries to produce renewably sourced added value products in an economically favorable way. In addition, the described process can be envisaged as a cross-link stream among bio and traditional refineries aiming to reduce fossil fuel sources involved and incorporate "greener" solutions.}, language = {en} } @misc{YentumiDorneanuArellanoGarcia, author = {Yentumi, Richard and Dorneanu, Bogdan and Arellano-Garc{\´i}a, Harvey}, title = {Optimal Operation of an Industrial Natural Gas Fired Natural Draft Heater}, series = {Chemical Engineering Journal Advances}, volume = {11}, journal = {Chemical Engineering Journal Advances}, issn = {2666-8211}, doi = {10.1016/j.ceja.2022.100354}, abstract = {In this work, a custom dynamic mathematical model of an industrial vertical-cylindrical type natural gas fired natural draft heater is developed using gPROMS® ProcessBuilder®. The integrated model comprises sub-models for each of the distinct sections of the fired heater which are connected by mass and energy flows. The temperature profiles of the tubular coils and the process fluid, a heat transfer fluid (HTF) are modelled using the distributed parameter system (DPS) in the axial direction (1D). The flue gas temperature in each section is modelled using the lumped parameter approach. Published empirical methods and correlations are used for estimating some unknown model parameters. The resulting model is a system of partial differential-algebraic equations (PDAEs) and serves as a basis for conducting an optimisation study to aid decision-making and to identify the best operating conditions within the specified constraints that minimise the daily operational costs. Through process simulation studies, the model predictions are adjusted to closely approximate collected actual plant data. It is demonstrated through the optimisation study that significant reduction in fuel gas consumption can be achieved compared to the current operating consumption levels. The developed models can be extended for use by other hydrocarbon processing plant operators with slight modifications, by specifying geometric parameters, HTF thermophysical properties, fuel gas composition and properties, among others.}, language = {en} } @incollection{SebastiaSaezMechleriArellanoGarcia, author = {Sebastia-Saez, Daniel and Mechleri, Evgenia and Arellano-Garc{\´i}a, Harvey}, title = {Advancing CCSU Technologies with Computational Fluid Dynamics (CFD): A Look at the Future by Linking CFD and Process Simulations}, series = {Engineering Solutions for CO2 Conversion}, booktitle = {Engineering Solutions for CO2 Conversion}, editor = {Ramirez Reina, Tomas and Arellano-Garc{\´i}a, Harvey and Odriozola, Jos{\´e} Antonio}, edition = {1st edition}, publisher = {Wiley-VCH GmbH}, address = {Weinheim, Germany}, doi = {10.1002/9783527346523.ch2}, pages = {29 -- 84}, abstract = {This chapter discusses the state of the art of the numerical modeling for carbon capture, storage and utilization (CCSU) technologies, covering the entire chain. The chapter opens with a note on the different modeling techniques available depending on the length and time scale and focuses thereafter on the application of computational fluid dynamics to CCSU and their link to process simulations. The chapter intends to provide the reader with guidelines on the numerical techniques available and how these methods can help gain insight into features relevant to the design and performance evaluation in the field of CCSU.}, language = {en} } @misc{DeMelDemisDorneanuetal., author = {De Mel, Ishanki and Demis, Panagiotis and Dorneanu, Bogdan and Klymenko, Oleksiy and Mechleri, Evgenia and Arellano-Garc{\´i}a, Harvey}, title = {Global sensitivity analysis for design and operation of distributed energy systems: A two-stage approach}, series = {Sustainable Energy Technologies and Assessments}, volume = {56}, journal = {Sustainable Energy Technologies and Assessments}, issn = {2213-1388}, doi = {10.1016/j.seta.2023.103064}, abstract = {Distributed Energy Systems (DES) can play a vital role as the energy sector faces unprecedented changes to reduce carbon emissions by increasing renewable and low-carbon energy generation. However, current operational DES models do not adequately reflect the influence of uncertain inputs on operational outputs, resulting in poor planning and performance. This paper details a methodology to analyse the effects of uncertain model inputs on the primary output, the total daily cost, of an operational model of a DES. Global Sensitivity Analysis (GSA) is used to quantify these effects, both individually and through interactions, on the variability of the output. A Mixed-Integer Linear Programming model for the DES design is presented, followed by the operational model, which incorporates Rolling Horizon Model Predictive Control. A subset of model inputs, which include electricity and heating demand, and solar irradiance, is treated as uncertain using data from a case study. Results show reductions of minimum 25\% in the total annualised cost compared to a traditional design that purchases electricity from the centralised grid and meets heating demand using boilers. In terms of carbon emissions, the savings are much smaller, although the dependency on the national grid is drastically reduced. Limitations and suggestions for improving the overall DES design and operation are also discussed in detail, highlighting the importance of incorporating GSA into the DES framework.}, language = {en} } @misc{RamirezReinaKetabchiArellanoGarciaetal., author = {Ramirez Reina, Tomas and Ketabchi, Elham and Arellano-Garc{\´i}a, Harvey and Pastor-Perez, Laura}, title = {The Production of Long Chain Hydrocarbons through the Catalytic Upgrade of Biomass-Based Acetone, Butanol and Ethanol (ABE)}, series = {2019 AIChE Annual Meeting}, journal = {2019 AIChE Annual Meeting}, isbn = {978-0-8169-1112-7}, abstract = {One of the main issues that many industrial sectors such as oil refineries have been facing nowadays is their sole dependency on fossil fuel. Not only have price fluctuations affected the products, but their environmental impact is an ever present problem that should be addressed. This has led to the search for alternatives such as biomass based processes in order to reduce the dependency on fossil fuel. Bio-refinery processes, fed by biomass, produce high value chemicals and materials with the advantage of reduced environmental drawbacks, such as CO2 emissions, when compared to the conventional refinery. For the benefit of both systems, an integration approach has been considered connecting bio-refining and conventional refining processes together. In this work we focus on the production of long chain hydrocarbons while maintaining production of chemicals that already originate from biomass such as Acetone, Butanol and Ethanol (ABE). The ABE used for this process is obtained as a product of sugar fermentation using the bacteria genus Clostridium. Through the upgrading and conversion of ABE, the products obtained will then be incorporated in the proposed integration system, connecting the conventional oil refinery to this process. A reaction involving a complex reaction network towards upgrading ABE with the aim of producing valuable products using economically viable catalysts has been carried out. The vast majority of research in this area either involves the separation of ABE after fermentation to be used in the chemical/or transportation industry that incurs large costs, or noble metal catalysts are used to upgrade this feed, which would also not be economically viable. However, our research has surpassed the necessity of noble metals, leading to a significant cost decrease that also produces outstanding results. The catalysts required for this process were synthesised successfully through the wetness incipient method and characterised by XRD, Raman, BET, TPR and N2 Isotherm. The reaction consists of the self-condensation and cross condensation of the alcohols and acetone, respectively, using a variety of active metals on basic supports as catalysts, at high temperatures and pressure in a batch reactor. The results have shown exceptional performance for the catalysts in terms of conversion and selectivity, having conversions as high as 90\%. The catalysts have proven to yield a range of C3-C15 hydrocarbons identified to be of need in the chemical industry. In conclusion, our route has produced valuable chemicals proven to have a considerably higher market value than the simple alcohol reactants, useful for both the petrochemical and the transportation industries, through the use of novel and economically favourable catalysts.}, language = {en} }