Article
Engineering, Chemical
Lechoslaw J. Krolikowski
Summary: This paper presents an approach for determining feasible separation regions for S-shaped distillation lines, constructed using a geometric model of the column and considering the shape of the distillation lines. The feasible separation region includes additional product composition areas, enabling the design of distillation columns with fewer theoretical stages and lower reflux ratio.
CHEMICAL ENGINEERING RESEARCH & DESIGN
(2021)
Article
Engineering, Environmental
Davide Ripamonti, Antonio Tripodi, Francesco Conte, Alessandro Robbiano, Gianguido Ramis, Ilenia Rossetti
Summary: A novel method for directly oxidizing ethanol to ethylene oxide in one pot has been developed and scaled up into a full process. By reviewing and interpolating reaction kinetics, a staged, cooled reactor has been designed for the air-based oxidation of bioethanol, with efficient separation of the product from the gas phase effluent using a hydro-alcoholic solution. The energy balances were analyzed using the Pinch Analysis method, forecasting a high conversion rate of bioethanol into Ethylene Oxide with high purity and marketable ethylene-glycol.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2021)
Article
Engineering, Chemical
Ruan de Villiers, Hendrik A. Kooijman, Ross Taylor
Summary: Reactive Dividing Wall Column (RDWC) modelling has gained significant attention due to its potential for energy and capital cost savings. Most simulations involve decomposing RDWCs into reactive and non-reactive column sections, leading to time-consuming and difficult convergences. In this study, an equation-based parallel column model (PCM) is used to rapidly model an RDWC as a single unit, demonstrating excellent numerical performance and validity for reproducing conventionally modelled RDWCs.
CHEMICAL ENGINEERING RESEARCH & DESIGN
(2023)
Article
Engineering, Chemical
Min Li, Jiarui Peng, Yan Cheng, Xiuyu Zhu, Yixin Ma, Zhishan Zhang, Jun Gao
Summary: This paper studied an energy-saving process for separating azeotropic mixtures in the chemical industry. The focus was on the issue of dynamic control for this process, and several control strategies were proposed to maintain the purity of the products.
CHEMICAL ENGINEERING RESEARCH & DESIGN
(2023)
Article
Engineering, Chemical
Wenting Duan, Minbo Yang, Xiao Feng
Summary: This paper presents an insightful analysis of heat integration of distillation into the overall process considering the change of operating pressure. Rules to identify the best operating pressure that minimize the overall energy consumption are proposed. The result indicates that the hot utility of the overall process can be reduced by 758 kW when the column pressure is lowered by 260 kPa.
Article
Engineering, Chemical
Yang Yuan, Kejin Huang, Xing Qian, Haisheng Chen, Lijing Zang, Liang Zhang
Summary: The study introduces an Enhanced Temperature Difference Control (ETDC) scheme to replace the traditional Temperature Difference (TD) control, aiming to reduce steady-state errors in controlled product qualities. Evaluation on different distillation systems shows that the ETDC scheme offers improved dynamic responses in controlled product qualities compared to the conventional scheme.
CHINESE JOURNAL OF CHEMICAL ENGINEERING
(2021)
Article
Engineering, Chemical
Yang Yuan, Xinyi Tao, Kejin Huang, Haisheng Chen, Xing Qian
Summary: This article proposes an effective temperature control method to reduce steady-state deviations in the maintained product purities. By utilizing a simple yet effective product quality estimator, the method demonstrates superior control performance and dynamic characteristics.
Article
Mechanics
Mohsen Gorakifard, Clara Saluena, Ildefonso Cuesta, Ehsan Kian Far
Summary: The meshless local Petrov-Galerkin cumulant lattice Boltzmann method (MLPGC-LBM) is proposed as an alternative to conventional aeroacoustics simulations, addressing the drawbacks of the lattice Boltzmann method (LBM) in terms of instability at low viscosities and compromising between accuracy and computational efficiency. Experimental results demonstrate the better accuracy and shorter runtimes of MLPGC-LBM in aeroacoustics.
Article
Mathematics, Interdisciplinary Applications
Haihong Guo, Wei Liang
Summary: This paper investigates chaotic dynamics of a class of partial difference equations and establishes two chaotification schemes. The controlled equations are proved to be chaotic in either the sense of Li-Yorke or in the sense of both Li-Yorke and Devaney. An example is provided to demonstrate the theoretical results through computer simulations.
INTERNATIONAL JOURNAL OF BIFURCATION AND CHAOS
(2021)
Article
Thermodynamics
Wameedh Khider Abbas Abbas, Matthias Linnemann, Elmar Baumhoegger, Jadran Vrabec
Summary: Organic Rankine cycles can convert low-temperature heat from sources like solar, geothermal, or biomass into electricity, contributing to meeting energy demand in an environmentally friendly manner. This study experimentally investigates the performance of a two-ORC system with high temperature (HT) and low temperature (LT) cycles, analyzing the thermodynamic characteristics and heat transfer between the cycles to maximize heat source utilization.
ENERGY CONVERSION AND MANAGEMENT
(2021)
Article
Mathematics, Applied
Nabanita Konwar, Rekha Srivastava, Pradip Debnath, Hari Mohan Srivastava
Summary: This paper introduces the concept of multivalued interpolative Kannan-type contractions and a more general version by relaxing the degrees of freedom in the contractive condition. The study of generalized Kannan-type mappings remains an interesting and mathematically challenging area of research, and the results of this study extend and unify some existing findings.
Article
Mathematics, Applied
Mohamed Altanji, Gokula Nanda Chhatria, Shyam Sundar Santra, Andrea Scapellato
Summary: The purpose of this paper is to investigate the oscillatory behavior of a class of first-order sublinear and superlinear neutral difference equations. Some conditions are established by applying Banach's Contraction mapping principle, Knaster-Tarski fixed point theorem, and using several inequalities. We provide some examples to illustrate the outreach of the main results.
Article
Thermodynamics
Zhen Tian, Weijie Zeng, Bo Gu, Yuan Zhang, Xin Yuan
Summary: This paper conducts a simulation to compare the thermo-economic performances of zeotropic mixtures and pure fluids in a parallel two-stage organic Rankine cycle (PTORC) driven by waste heat from LNG-fueled ships. The results indicate that zeotropic mixtures do not always have an advantage over pure fluids, with the optimal working fluid combination being R170/R1270-R600. The study also shows that the highest net power output is achieved with R1150-R600a, and LNG regasification should occur in the first-stage condenser for optimal performance.
ENERGY CONVERSION AND MANAGEMENT
(2021)
Article
Computer Science, Interdisciplinary Applications
Zemin Feng, Wenhe Wang, Di Xu, Gade Pandu Rangaiah, Lichun Dong
Summary: The investigation of dynamic controllability of double liquid-only side-stream distillation (DLSD) is necessary due to its good potential for separating multicomponent mixtures in industrial practice. This study proposed three temperature control schemes without composition measurement for DLSD, and the results demonstrate that CS3 provides better control for DLSD than CS1 and CS2.
COMPUTERS & CHEMICAL ENGINEERING
(2022)
Article
Mathematics
Busakorn Aiewcharoen, Ratinan Boonklurb, Nanthiya Konglawan
Summary: The article studies the global behavior of a system of piecewise linear difference equations and shows that for b=4 all solutions converge to equilibrium points. It also proves that for large initial values, when b=5, the solution becomes an equilibrium point and when b>=6, the solution becomes a periodic solution with a prime period of 5.
Review
Engineering, Chemical
Chike George Okoye-Chine, Mahluli Moyo, Diane Hildebrandt
Summary: The influence of surface hydrophobicity on activity and product selectivity of supported cobalt and iron catalysts during Fischer-Tropsch synthesis has been studied. The improvement in activity is mainly attributed to the enhanced reducibility of metal oxide species and the suppression of water-gas shift reaction.
REVIEWS IN CHEMICAL ENGINEERING
(2022)
Article
Engineering, Chemical
Chike George Okoye-Chine, Roy Forbes, Joshua Gorimbo, Mahluli Moyo, Xinying Liu, Diane Hildebrandt
Summary: The reduction pathway of Co catalysts supported on untreated SiO2 and two pretreated SiO2 support materials was investigated. The study revealed that ethylene glycol pretreated SiO2 supported Co catalyst showed smaller metal crystallites and highly dispersed Co, but had a low degree of reduction of CoO due to the strong Co-SiO2 interaction. In contrast, the annealing pretreated SiO2 supported Co catalyst exhibited better catalytic activity during FTS.
CHEMICAL ENGINEERING COMMUNICATIONS
(2023)
Article
Environmental Sciences
Tsepiso Kabi, Diane Hildebrandt, Xinying Liu, Yali Yao
Summary: This study focused on the use of amarula waste biomass as an adsorbent to mitigate waste management and land pollution. It was found that amarula shell waste had the highest adsorption efficiency, and the biomass performed better at lower adsorption temperatures. The cellulose and hemicellulose structures in the waste biomass played a major role in reducing the content of harmful substances in model diesel fuel.
JOURNAL OF ENVIRONMENTAL MANAGEMENT
(2022)
Article
Chemistry, Multidisciplinary
Boying Zhang, Liling Chen, Zhenni Zhang, Qing Li, Phathutshedzo Khangale, Diane Hildebrandt, Xinying Liu, Qingliang Feng, Shanlin Qiao
Summary: In this study, a series of stable Metal (Metal = Zn, Cu, Ni, Co, Fe, and Mn)-Salen covalent organic frameworks (COF) are prepared, and conductive PEDOT is integrated to form heterostructure PEDOT@Metal-Salen COFEDA. The optimized PEDOT@Mn-Salen COFEDA exhibits excellent electrochemical activity.
Article
Energy & Fuels
Nothando C. Shiba, Xinying Liu, Diane Hildebrandt, Huaping Mao, Yali Yao
Summary: Immobilized cobalt nanoparticles on SiO2 underwent hydrogenation-carburization-hydrogenation (H-C-H) treatment, leading to a 40% increase in CO conversion compared to standard treatment. The enhanced catalyst reducibility and dispersion of Co-hcp via Co2C intermediate resulted in high CH4 and olefin selectivity, potentially impacting liquid fuel selectivity. Nonetheless, this work provides valuable insights for future FTS catalyst design and synthetic fuel production.
Article
Chemistry, Physical
Kabir O. Otun, Morena S. Xaba, Shuang Zong, Xinying Liu, Diane Hildebrandt, Salah M. El-Bahy, Mohammed T. Alotaibi, Zeinhom M. El-Bahy
Summary: This study developed a ZnO/C@f-MWCNT composite electrode for supercapacitor applications by decorating ZnO/C with hydroxyl-functionalized multi-walled carbon nanotubes (f-MWCNT). The resulting electrode exhibited excellent storage performance, remarkable cycling stability, and good rate cyclability.
COLLOID AND INTERFACE SCIENCE COMMUNICATIONS
(2022)
Review
Multidisciplinary Sciences
Grace N. Ijoma, Asheal Mutungwazi, Thulani Mannie, Weiz Nurmahomed, Tonderayi S. Matambo, Diane Hildebrandt
Summary: This article estimates the potential energy that can be generated from wastewater treatment plants in Sub-Saharan Africa and highlights the importance of utilizing this energy.
Article
Chemistry, Multidisciplinary
Ning Wang, Haining Liu, Xi Zhou, Qingyuan Luo, Xue Yang, Hongyan Yang, Haibo Shu, Hua Xu, Qiuyu Zhang, Diane Hildebrandt, Xinying Liu, Shanlin Qiao, Bilu Liu, Qingliang Feng
Summary: An electrochemical intercalation and in situ electrochemical deposition (EI&ED) approach is developed to produce Au nanoparticles/FL-BP crystals with enhanced stability. The obtained Au/FL-BP nano-devices show good stability under harsh conditions and exhibit improved photoresponsivity through surface plasmonic enhancement. This method resolves the crucial barriers in using FL-BP in large-scale electronic and optoelectronic devices.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Article
Energy & Fuels
Nothando C. Shiba, Xinying Liu, Huaping Mao, Xiaofeng Qian, Diane Hildebrandt, Yali Yao
Summary: This study demonstrates the effect of Ru addition on Co/SiO2 catalysts. The results show that Ru addition improves the activity of the H-2 reduced catalyst, but suppresses CO hydrogenation in the syngas reduced catalyst.
Article
Green & Sustainable Science & Technology
Jianqi Shen, Wei Hua Ho, Yusheng Zhang, Xinying Liu, Yali Yao, Diane Hildebrandt, Hala H. Abd El-Gawad, Hazim M. Ali
Summary: Small-scale Fischer-Tropsch Synthesis (FTS) plants are more suitable for waste or biomass to liquid applications compared to mega-scale plants. A new design approach for multi-tube reactors was proposed, where catalyst activity was varied to ensure the maximum temperature in the reactor tubes stays within a set upper limit. This method was demonstrated by designing a multi-tube reactor for a mobile FTS plant that can fit into a commercial container.
JOURNAL OF CLEANER PRODUCTION
(2022)
Article
Chemistry, Multidisciplinary
Kabir O. Otun, Shuang Zong, Diane Hildebrandt, Xinying Liu
Summary: The study focuses on the growth of zinc-functionalized nickel metal-organic frameworks on nickel foam, showing enhanced electrochemical performance for supercapacitor applications. The optimized ZNN1 electrode exhibited good rate capability, high capacitance retention, and excellent cycling stability, attributed to increased surface area and improved conductivity.
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
(2022)
Article
Chemistry, Multidisciplinary
Xin Li, Xinpeng Han, Gang Li, Juan Du, Yu Cao, Haochen Gong, Huili Wang, Yiming Zhang, Shuo Liu, Baoshan Zhang, Xinying Liu, Phathutshedzo Khangale, Diane Hildebrandt, Jie Sun, Aibing Chen
Summary: This study focuses on improving the cycling stability of high-capacity Ni-rich layered oxide cathodes by limiting side reactions through a reliable cathode-electrolyte interface layer formed by a nonsacrificial nitrile additive.
Article
Chemistry, Multidisciplinary
Boying Zhang, Haining Liu, Pengda Zhai, Ruijuan Zhang, Wenbo Wang, Phathutshedzo Khangale, Diane Hildebrandt, Xinying Liu, Shanlin Qiao
Summary: This study presents the design of conjugated reticular oligomers (CROs) using an aqueous micellar strategy for water electrolysis. These CROs show improved electrochemical performance compared to COFs due to the presence of a Schottky heterojunction that suppresses electron backflow and enhances adsorption of hydrogen protons and hydroxides.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Engineering, Chemical
Leonard U. Okonye, Yali Yao, Jianwei Ren, Xinying Liu, Diane Hildebrandt
Summary: This study investigates the Fischer-Tropsch Synthesis mechanism using the Arrhenius equation and finds that different mechanisms complement each other in the reaction, resulting in different products.
CHEMICAL ENGINEERING SCIENCE
(2023)
Article
Engineering, Chemical
Maria J. Fernandez-Torres, Diane Hildebrandt, David Glasser, Baraka Celestin Sempuga
Summary: High nitrate levels in groundwater need to be reduced to meet legal guidelines for human consumption. Although techniques like ion exchange and reverse osmosis have been successful on an industrial scale, the catalytic reduction of nitrate to nitrogen with hydrogen has not been commercialized due to the production of byproducts above allowed levels. This study suggests that thermodynamics, rather than kinetics, is the limiting factor in achieving desired selectivity, and it uses the attainable region approach to compare theoretical analysis with experimental data, revealing the challenges in avoiding byproduct formation.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
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)
