Article
Green & Sustainable Science & Technology
Mariano Martin, Rafiqul Gani, Iqbal M. M. Mujtaba
Summary: This paper presents the challenges and opportunities posed by the chemical, biochemical, and related industries to the process system engineering community. It highlights the need for a systems approach, where model-based sustainable process synthesis, design, and analysis can tackle these challenges and provide novel sustainable alternatives.
SUSTAINABLE PRODUCTION AND CONSUMPTION
(2022)
Article
Engineering, Chemical
Guang Miao, Yujie Ma, Cuiting Yang, Baotian Tong, Guoqing Li, Jing Xiao
Summary: A novel method was proposed to optimize heat pump assisted distillation process with multiple columns. MINLP models were formulated in Python to determine the superstructure of the heat and work exchange networks. A genetic algorithm was utilized to find feasible solutions with minimum total annualized cost (TAC) for HPD. The retrofitting with heat pump resulted in a reduction of 36.9% in TAC. A high-performance DWC-HPD process was established with an energy reduction of 60% through the improved optimization procedure. The MINLP models and improved HP/DWC optimization procedure show impressive advantages in cost and energy reduction of the conventional distillation process.
CHEMICAL ENGINEERING SCIENCE
(2023)
Article
Engineering, Chemical
Klavdija Zirngast, Zdravko Kravanja, Zorka Novak Pintaric
Summary: This paper examines the impact of CO2 tax on chemical process synthesis, revealing that an increase in tax promotes the use of higher-quality raw materials and more efficient process units while reducing energy consumption and emissions, but economic performance deteriorates.
Article
Chemistry, Multidisciplinary
Nabanita Ghosh, D. Rhithuparna, Samuel Lalthazuala Rokhum, Gopinath Halder
Summary: There is a global search for renewable energy sources due to the unpredictability of petroleum supplies and environmental problems from fossil fuel use. Biodiesel has gained interest as an environmentally friendly alternative fuel, with a focus on ethical issues related to its production process and impact on food, land acquisition, global trade, deforestation, and ecological toxicity.
SUSTAINABLE CHEMISTRY AND PHARMACY
(2023)
Article
Green & Sustainable Science & Technology
Qiao Q. Tang, Wen W. Zhang, Jian Q. Hu, Chang He, Qing L. Chen, Bing J. Zhang
Summary: In this study, the concept of energy interchangeability is introduced to optimize the design of industrial energy systems. The results show that introducing energy interchangeability can reduce the total annual cost and CO2 emissions.
JOURNAL OF CLEANER PRODUCTION
(2022)
Article
Computer Science, Interdisciplinary Applications
Lautaro Braccia, Patricio Luppi, Alexis J. Vallarella, David Zumoffen
Summary: This work presents a new superstructure for simultaneous synthesis of work and heat exchange networks (WHEN). The proposed model explicitly models the identity changes of the process streams, allowing pressure-change streams to act as both low-pressure hot streams and high-pressure cold streams without predefined manipulation routes. By considering all possible thermodynamic paths of the process streams, the novel formulation improves the obtained solution and reduces the computational burden without introducing new variables and constraints. Three case studies with different size and complexity show savings of approximately 1%-7% in total annualized cost.
COMPUTERS & CHEMICAL ENGINEERING
(2022)
Article
Chemistry, Multidisciplinary
Ludovico Macera, Valeria Daniele, Claudia Mondelli, Marie Capron, Giuliana Taglieri
Summary: This study introduces an innovative method for synthesizing iron oxide nanoparticles, which are characterized by high purity, small particle size, and high specific surface area values. The method is efficient and can produce iron oxide NPs in water and at room temperature.
Article
Engineering, Chemical
Maria P. Marcos, Jose Luis Pitarch, Cesar de Prada
Summary: This study focuses on optimizing the design and operation of a complex network of evaporation plants in a viscose-fiber factory, using a mathematical model and real-time optimization tool for economic efficiency and effective operation.
Article
Thermodynamics
Youquan Xu, Anjan Tula, Xi Chen
Summary: This paper proposes a method that combines the selection of refrigerants with the optimization of the refrigeration process to design efficient refrigerants. By using properties databases of different refrigerants and using coefficient of refrigeration performance as the objective function, the optimal refrigerant and operating conditions can be obtained simultaneously.
INTERNATIONAL JOURNAL OF REFRIGERATION
(2023)
Article
Materials Science, Multidisciplinary
Maharshi Dey, Sabah Javaid, Dustin Clifford, Vaibhav Sharma, Radhika Barua, Surojit Gupta
Summary: This paper reports the synthesis of Fe2AlB2, Mn2AlB2, and MoAlB powders using molten salt shielded synthesis/sintering (MS3) technique, which allows for the synthesis of non-oxide ceramics without the use of inert gas. The study shows that different types of ternary non-oxide ceramics can be synthesized in air in salt medium, increasing the ease and sustainability of ceramic production.
JOURNAL OF MATERIALS SCIENCE
(2022)
Article
Chemistry, Physical
Matthew Colson, Leandro Alvarez, Stephanie Michelle Soto, Sung Hee Joo, Kai Li, Andrew Lupini, Kashif Nawaz, Ignatius Fomunung, Mbakisya A. Onyango, Michael K. Danquah, Joseph Owino, Sungwoo Yang
Summary: Graphene produced by different methods can have varying properties and quality, leading to a wide range of applications. This study presents a novel method for synthesizing multilayer graphene using atmospheric carbon dioxide and characterizes its properties. The controlled synthesis parameters allow for the production of multilayer graphene particles with tailored properties for specific applications.
Article
Optics
Monica Far Brusatori, Daniel N. Duplat, Iterio Degli-Eredi, Lars Nielsen, Peter L. Tonning, Pau Castera, Nicolas Volet, Martijn J. R. Heck
Summary: The research team has achieved a narrow-linewidth laser by integrating InP active-passive platform with an integrated low-loss resonator on a generic foundry platform. This achievement opens up possibilities for hybrid integrated platforms in microwave photonics, with the potential for narrow-linewidth microwave signal generation.
Review
Chemistry, Multidisciplinary
Agathe Mouren, Luc Averous
Summary: Polyurethanes are a versatile polymer family that can be synthesized using sustainable feedstocks to achieve specific properties. Different sustainable building blocks can be used to develop polyurethanes with various characteristics such as rigidity, flexibility, and transparency. This review provides an overview of the synthesis of sustainable polyurethanes using renewable products and discusses their applications in fields such as building, transportation, packaging, and biomedicine.
CHEMICAL SOCIETY REVIEWS
(2023)
Editorial Material
Chemistry, Physical
Channing K. Klein, Karthish Manthiram
Summary: This article introduces a lithium-mediated ammonia synthesis method that meets industrial benchmarks and provides new insights into reaction kinetics. The research findings are supported by a recent study in Nature.
Article
Chemistry, Multidisciplinary
Hyein Moon, Alessandro Innocenti, Huiting Liu, Huang Zhang, Marcel Weil, Maider Zarrabeitia, Stefano Passerini
Summary: Bio-waste resources can be used as precursors for hard carbon, and hard carbon synthesized from hazelnut shells via water washing exhibited excellent electrochemical performance and cost-effectiveness in sodium-ion batteries, showing potential sustainability.
Article
Computer Science, Interdisciplinary Applications
Klavdija Zirngast, Lidija Cucek, Zan Zore, Zdravko Kravanja, Zorka Novak Pintaric
COMPUTERS & CHEMICAL ENGINEERING
(2019)
Article
Energy & Fuels
Rok Gomilsek, Lidija Cucek, Marko Homsak, Raymond R. Tan, Zdravko Kravanja
Article
Engineering, Chemical
Sanja Potrc, Lidija Cucek, Mariano Martin, Zdravko Kravanja
Review
Engineering, Multidisciplinary
Elvis Ahmetovic, Zdravko Kravanja, Nidret Ibric, Ignacio E. Grossmann, Luciana E. Savulescu
Summary: This paper provides an overview of the state-of-the-art water and energy optimization methods in Kraft pulp mills, emphasizing the potential of adapting Kraft processes to biorefineries. The importance of integrating water system, heat exchanger network, and utility system for an effective Kraft process transformation is highlighted. Studies have shown significant reductions in water and energy consumption through systematic optimization methods, with typical savings ranging from 20 to 80% in freshwater consumption and 15 to 40% in energy consumption.
OPTIMIZATION AND ENGINEERING
(2021)
Article
Green & Sustainable Science & Technology
Tina Kegl, Lidija Cucek, Anita Kovac Kralj, Zdravko Kravanja
Summary: The study proposes a simplified model to optimize combined CO2 supply networks and capture and utilization technologies to maximize the profit of CCUS technologies, considering revenue from avoided tax on reduced CO2 emissions. Results indicate the potential of model-based optimization in reducing CO2 in the atmosphere through CCUS technology.
JOURNAL OF CLEANER PRODUCTION
(2021)
Article
Engineering, Multidisciplinary
Nidret Ibric, Elvis Ahmetovic, Zdravko Kravanja
Summary: This paper discusses the synthesis of combined evaporation-crystallisation systems for recovering valuable materials from waste, focusing on distiller waste from the Solvay process. The superstructure of a heat and power integrated evaporation-crystallisation system is optimized using a Mixed-Integer Nonlinear Programming (MINLP) model, with a focus on partial crystallisation of NaCl and production of concentrated CaCl2 solution.
OPTIMIZATION AND ENGINEERING
(2021)
Article
Green & Sustainable Science & Technology
Sanja Potrc, Lidija Cucek, Mariano Martin, Zdravko Kravanja
Summary: The paper presents a plan for achieving the carbon neutral target in the EU-27 by 2050, utilizing a multi-period mixed-integer programming model to maximize sustainability net present value. Wind farms and solar photovoltaics are highlighted as the most promising solutions for expanding renewable energy generation, with the potential to create over 1.5 million new job opportunities across the EU.
RENEWABLE & SUSTAINABLE ENERGY REVIEWS
(2021)
Article
Thermodynamics
Klavdija Zirngast, Zdravko Kravanja, Zorka Novak Pintaric
Summary: This paper presents an improved method for the synthesis of flexible Heat Exchanger Network with a large number of uncertain parameters using MINLP. By decomposing the problem into simpler subproblems and solving them sequentially, the exponential growth with the number of uncertain parameters is avoided. The introduction of correction factors into the objective function during variable determination improves the trade-offs and mitigates the effect of decomposition.
Article
Thermodynamics
Monika Dokl, Rok Gomilsek, Lidija Cucek, Ben Abikoye, Zdravko Kravanja
Summary: This study presents an integrated design and optimization of an Organic Rankine Cycle (ORC) for the recovery of waste heat from aluminium production. The non-linear programming models maximize the electricity production and net present value (NPV) of the system by optimizing operating conditions and thermodynamic features. The results show that selecting the appropriate working fluid can substitute electricity in a sustainable and economic manner. Among the three working fluids considered, R245fa is identified as the best performing fluid with high efficiency but higher greenhouse gas emissions.
Article
Chemistry, Multidisciplinary
Simon Silih, Zdravko Kravanja, Stojan Kravanja
Summary: This paper presents the Mixed-Integer Non-linear Programming (MINLP) approach for the synthesis of trusses, discussing the solution to continuous/discrete non-convex and non-linear optimization problems. It showcases the generation of different truss MINLP superstructures and the development of a special model formulation. The paper also introduces multi-level MINLP strategies to accelerate convergence and discusses the importance of local buckling constraints on topology optimization.
APPLIED SCIENCES-BASEL
(2022)
Article
Engineering, Chemical
Klavdija Zirngast, Zdravko Kravanja, Zorka Novak Pintaric
Summary: This paper examines the impact of CO2 tax on chemical process synthesis, revealing that an increase in tax promotes the use of higher-quality raw materials and more efficient process units while reducing energy consumption and emissions, but economic performance deteriorates.
Proceedings Paper
Computer Science, Interdisciplinary Applications
Klavdija Zirngast, Zdravko Kravanja, Zorka Novak Pintaric
30TH EUROPEAN SYMPOSIUM ON COMPUTER AIDED PROCESS ENGINEERING, PTS A-C
(2020)
Proceedings Paper
Computer Science, Interdisciplinary Applications
Andreja Nemet, Timothy Gordon Walmsley, Elvis Ahmetovic, Zdravko Kravanja
30TH EUROPEAN SYMPOSIUM ON COMPUTER AIDED PROCESS ENGINEERING, PTS A-C
(2020)
Proceedings Paper
Computer Science, Interdisciplinary Applications
Ben Abikoye, Lidija Cucek, Danijela Urbancl, Adeniyi Jide Isafiade, Zdravko Kravanja
30TH EUROPEAN SYMPOSIUM ON COMPUTER AIDED PROCESS ENGINEERING, PTS A-C
(2020)
Proceedings Paper
Computer Science, Interdisciplinary Applications
Milos Bogataj, Zdravko Kravanja
30TH EUROPEAN SYMPOSIUM ON COMPUTER AIDED PROCESS ENGINEERING, PTS A-C
(2020)
Article
Computer Science, Interdisciplinary Applications
Nohan Joemon, Melpakkam Pradeep, Lokesh K. Rajulapati, Raghunathan Rengaswamy
Summary: This paper introduces a smoothing-based approach for discovering partial differential equations from noisy measurements. The method is data-driven and improves performance by incorporating first principles knowledge. The effectiveness of the algorithm is demonstrated in a real system using a new benchmark metric.
COMPUTERS & CHEMICAL ENGINEERING
(2024)
Article
Computer Science, Interdisciplinary Applications
Zhibin Lu, Yimeng Li, Chang He, Jingzheng Ren, Haoshui Yu, Bingjian Zhang, Qinglin Chen
Summary: This study proposes a new inverse design method using a physics-informed neural network to identify optimal heat sink designs. A hybrid PINN accurately approximates the governing equations of heat transfer processes, and a surrogate model is constructed for integration with optimization algorithms. The proposed method accelerates the search for Pareto-optimal designs and reduces search time. Comparing different scenarios facilitates real-time observation of multiphysics field changes, improving understanding of optimal designs.
COMPUTERS & CHEMICAL ENGINEERING
(2024)
Article
Computer Science, Interdisciplinary Applications
Luca Gasparini, Antonio Benedetti, Giulia Marchese, Connor Gallagher, Pierantonio Facco, Massimiliano Barolo
Summary: In this paper, a method for batch process monitoring with limited historical data is investigated. The methodology utilizes machine learning algorithms to generate virtual data and combines it with real data to build a process monitoring model. Automatic procedures are developed to optimize parameters, and indicators and metrics are proposed to assist virtual data generation activities.
COMPUTERS & CHEMICAL ENGINEERING
(2024)
Article
Computer Science, Interdisciplinary Applications
Julia Jimenez-Romero, Adisa Azapagic, Robin Smith
Summary: Energy transition is a significant and complex challenge for the industry, and developing cost-effective solutions for synthesizing utility systems is crucial. The research combines mathematical formulation with realistic configurations and conditions to represent utility systems and provides a basis for synthesizing energy-efficient utility systems for the future.
COMPUTERS & CHEMICAL ENGINEERING
(2024)
Article
Computer Science, Interdisciplinary Applications
Samuel Adeyemo, Debangsu Bhattacharyya
Summary: This work develops algorithms for estimating sparse interpretable data-driven models. The algorithms select the optimal basis functions and estimate the model parameters using Bayesian inferencing. The algorithms estimate the noise characteristics and model parameters simultaneously. The algorithms also exploit prior analysis and special properties for efficient pruning, and use a modified Akaike information criterion for model selection.
COMPUTERS & CHEMICAL ENGINEERING
(2024)
Article
Computer Science, Interdisciplinary Applications
Abbasali Jafari-Nodoushan, Mohammad Hossein Dehghani Sadrabadi, Maryam Nili, Ahmad Makui, Rouzbeh Ghousi
Summary: This study presents a three-objective model to design a forward supply chain network considering interrelated operational and disruptive risks. Several strategies are implemented to cope with these risks, and a joint pricing strategy is used to enhance the profitability of the supply chain. The results show that managing risks and uncertainties simultaneously can improve sustainability goals and reduce associated costs.
COMPUTERS & CHEMICAL ENGINEERING
(2024)
Article
Computer Science, Interdisciplinary Applications
T. A. Espaas, V. S. Vassiliadis
Summary: This paper extends the concept of higher-order search directions in interior point methods to convex nonlinear programming. It provides the mathematical framework for computing higher-order derivatives and highlights simplified computation for special cases. The paper also introduces a dimensional lifting procedure for transforming general nonlinear problems into more efficient forms and describes the algorithmic development required to employ these higher-order search directions.
COMPUTERS & CHEMICAL ENGINEERING
(2024)
Article
Computer Science, Interdisciplinary Applications
David A. Linan, Gabriel Contreras-Zarazua, Eduardo Sanhez-Ramirez, Juan Gabriel Segovia-Hernandez, Luis A. Ricardez-Sandoval
Summary: This study proposes a parallel hybrid algorithm for optimal design of process flowsheets, which combines stochastic method with deterministic algorithm to achieve faster and improved convergence.
COMPUTERS & CHEMICAL ENGINEERING
(2024)
Article
Computer Science, Interdisciplinary Applications
Xiaoyong Lin, Zihui Li, Yongming Han, Zhiwei Chen, Zhiqiang Geng
Summary: A novel GAT-LSTM model is proposed for the production prediction and energy structure optimization of propylene production processes. It outperforms other models and can provide the optimal raw material scheme for actual production processes.
COMPUTERS & CHEMICAL ENGINEERING
(2024)
Article
Computer Science, Interdisciplinary Applications
Prodromos Daoutidis, Jay H. Lee, Srinivas Rangarajan, Leo Chiang, Bhushan Gopaluni, Artur M. Schweidtmann, Iiro Harjunkoski, Mehmet Mercangoz, Ali Mesbah, Fani Boukouvala, Fernando Lima, Antonio del Rio Chanona, Christos Georgakis
Summary: This paper provides a concise perspective on the potential of machine learning in the PSE domain, based on discussions and talks during the FIPSE 5 conference. It highlights the need for domain-specific techniques in molecular/material design, data analytics, optimization, and control.
COMPUTERS & CHEMICAL ENGINEERING
(2024)
Article
Computer Science, Interdisciplinary Applications
Hesam Hassanpour, Prashant Mhaskar, Brandon Corbett
Summary: This work addresses the problem of designing an offset-free implementable reinforcement learning (RL) controller for nonlinear processes. A pre-training strategy is proposed to provide a secure platform for online implementations of the RL controller. The efficacy of the proposed approach is demonstrated through simulations on a chemical reactor example.
COMPUTERS & CHEMICAL ENGINEERING
(2024)
Article
Computer Science, Interdisciplinary Applications
Hunggi Lee, Donghyeon Lee, Jaewook Lee, Dongil Shin
Summary: This study introduces an innovative framework that utilizes a limited number of sensors to detect chemical leaks early, mitigating the risk of major industrial disasters, and providing faster and higher-resolution results.
COMPUTERS & CHEMICAL ENGINEERING
(2024)
Article
Computer Science, Interdisciplinary Applications
Sibel Uygun Batgi, Ibrahim Dincer
Summary: This study examines the environmental impacts of three alternative hydrogen-generating processes and determines the best environmentally friendly option for hydrogen production by comparing different impact categories. The results show that the solar-based HyS cycle options perform the best in terms of global warming potential, abiotic depletion, acidification potential, ozone layer depletion, and human toxicity potential.
COMPUTERS & CHEMICAL ENGINEERING
(2024)
Article
Computer Science, Interdisciplinary Applications
LaGrande Gunnell, Bethany Nicholson, John D. Hedengren
Summary: A review of current trends in scientific computing shows a shift towards open-source and higher-level programming languages like Python, with increasing career opportunities in the next decade. Open-source modeling tools contribute to innovation in equation-based and data-driven applications, and the integration of data-driven and principles-based tools is emerging. New compute hardware, productivity software, and training resources have the potential to significantly accelerate progress, but long-term support mechanisms are still necessary.
COMPUTERS & CHEMICAL ENGINEERING
(2024)
Article
Computer Science, Interdisciplinary Applications
Daniel Cristiu, Federico d'Amore, Fabrizio Bezzo
Summary: This study presents a multi-objective mixed integer linear programming framework to optimize the supply chain for mixed plastic waste in Northern Italy. Results offer quantitative insights into economic and environmental performance, balancing trade-offs between maximizing gross profit and minimizing greenhouse gas emissions.
COMPUTERS & CHEMICAL ENGINEERING
(2024)