Article
Materials Science, Multidisciplinary
Jingkui Yang, Tuanhui Jiang, Bujin Liu, Chun Zhang, Xiangbu Zeng, Li He, Wei Gong
Summary: This study investigated the bubble nucleation of polymer foams using nucleation theory and established a mathematical model based on in-situ observations and measurements. The effects of different factors on bubble nucleation were studied in experiments, leading to the development of a new mathematical model. The model can intuitively characterize the process of foaming nucleation and has potential applications in other nucleation processes.
MATERIALS & DESIGN
(2021)
Article
Energy & Fuels
Anand Shankar Singh, Sukanta Kumar Dash, V. Mahendra Reddy
Summary: Ammonia has shown potential as a green fuel, and blending it with hydrogen can overcome challenges in combustion. A new reaction model for NH3/H-2/air mixtures with 32 species and 259 reactions closely follows experimental trends. Hydrogen enrichment improves heat release rate and flame speed of ammonia, making it a promising industrial fuel.
INTERNATIONAL JOURNAL OF ENERGY RESEARCH
(2022)
Article
Thermodynamics
Beemkumar Nagappan, Yuvarajan Devarajan, Elangovan Kariappan, T. Raja, Ramachandran Thulasiram
Summary: The aim of this study is to develop a numerical model for the phase transition of multi-level PCMs and compare the performance of single PCM and multi-temperature PCM thermal energy storage systems. The experiments showed that the proposed TES system with multi-temperature PCMs had better performance than single-PCM systems.
APPLIED THERMAL ENGINEERING
(2023)
Article
Engineering, Multidisciplinary
Hany S. EL-Mesery, Nermeen M. Tolba, Reham M. Kamel
Summary: This study investigated the application of different airflow distribution systems in convection hot-air dryers for grape drying. The results showed that horizontal dryers had shorter drying times and higher thermal efficiency compared to vertical dryers. Additionally, the logarithmic model was found to accurately evaluate the drying curve for grapes in different convection dryers.
ALEXANDRIA ENGINEERING JOURNAL
(2023)
Article
Green & Sustainable Science & Technology
Giovanna Lovato, Adam Kovalovszki, Merlin Alvarado-Morales, Arnaud Tristan Arjuna Jeglot, Jose Alberto Domingues Rodrigues, Irini Angelidaki
Summary: Bioaugmentation is a promising method to improve the performance of sub-optimal anaerobic digestion processes and recover methane production. This study implemented a model with bioaugmentation functionalities for the dynamic microbiological study of augmented anaerobic systems. Simulation results showed that bioaugmentation will result in process improvement when specialized hydrogenotrophs are used.
Article
Thermodynamics
Samar Singhal, Ashwini Kumar Yadav, Ravi Prakash
Summary: In tropical conditions, the temperature exceeding the recommended range in greenhouse is a major concern. This study evaluated the thermal performance of an Earth Air Tunnel Heat Exchanger (EATHE) assisted single span saw-tooth greenhouse using both a developed code and a commercial computer program (ANSYS-Fluent). The effectiveness of coupling EATHE to control the greenhouse temperature was assessed under different scenarios of side vent opening. Air movement caused by wind and stack effect was found to be a significant factor affecting the temperature uniformity within the greenhouse. The best thermal performance for optimum plant growth was achieved when both side vents of the greenhouse were connected to EATHE.
INTERNATIONAL JOURNAL OF THERMAL SCIENCES
(2023)
Review
Green & Sustainable Science & Technology
Yujie Qi, Buddhima Indraratna, Trung Ngo, Fernanda Bessa Ferreira
Summary: This paper reviews the emerging features in mathematical and numerical modelling of ballasted track components incorporating recycled rubber products, focusing on shear stress-strain response of waste mixtures and reduction of particle degradation with recycled rubber mats on ballasted tracks. The use of coupled DEM-FEM modelling provides valuable insights into micromechanical aspects of ballast behavior.
Article
Green & Sustainable Science & Technology
Moein Jahanbani Veshareh, Hamidreza M. Nick
Summary: This study suggests that using production water samples may not be suitable for studying reservoir souring, as they may not accurately reflect the sulfate reducing bacteria responsible for souring in the reservoir. The results indicate that a more accurate prediction of reservoir souring requires understanding the behavior of sulfate reducing bacteria in injection water and formation brine.
JOURNAL OF CLEANER PRODUCTION
(2021)
Article
Energy & Fuels
Marcus King, Dacheng Li, Mark Dooner, Saikat Ghosh, Jatindra Nath Roy, Chandan Chakraborty, Jihong Wang
Summary: Integrating compressed air system with solar PV generation can increase output power by cleaning and cooling PV panels. The proposed system model demonstrates the advantages of using compressed air for cleaning and cooling solar PV panels.
Article
Engineering, Chemical
Guilherme Ozorio Cassol, Stevan Dubljevic
Summary: This manuscript examines common chemical engineering transport-reaction systems and compares hyperbolic PDEs with dissipative parabolic PDEs. The study includes stability analysis and numerical simulations, demonstrating the effects and limits of using hyperbolic PDEs in transport-reaction systems.
Article
Mathematics, Applied
Stefano Mazzoleni, Lucia Russo, Francesco Giannino, Gerardo Toraldo, Constantinos Siettos
Summary: Disciplinary diversity is crucial for the development of interdisciplinarity, but factors such as institutional policies and behavioral attitudes pose significant barriers to advancing interdisciplinary studies. Reactive academic lobbying behaviors may lead to cognitive rigidity favoring inbreeding.
JOURNAL OF COMPUTATIONAL AND APPLIED MATHEMATICS
(2021)
Review
Green & Sustainable Science & Technology
Shuhao Zhang, Nan Zhang
Summary: This paper introduces the recent development in integrated green hydrogen polygeneration, summarizing theoretical concepts, design types, and recent developments related to the integration of Alkaline Electrolysis (AE), Proton Exchange Membrane Electrolysis (PEME), and the Solid Oxide Electrolysis Cell (SOEC). The study evaluates the efficiency and economic impact of green hydrogen production integrated with different energy sources, storage, and power cycles. The state-of-the-art method for hydrogen production is the Solid Oxide Electrolysis Cell (SOEC) which shows over 10% efficiency improvement compared to commercially applied methods (AE and PEME).
JOURNAL OF CLEANER PRODUCTION
(2023)
Article
Engineering, Chemical
Ana Caroline Raimundini Aranha, Luiz Mario de Matos Jorge, Danielli Andrea Nardino, Caroline Casagrande Sipoli, Rubia Michele Suzuki, Lilian Tatiani Dusman Tonin, Rafael Oliveira Defendi
Summary: Corn is a widely cultivated grain globally, with bioactive compounds that have high pharmacological benefits. The extraction of these compounds is influenced by factors such as solvent, time, temperature, solid-liquid ratio, and particle size. Experimental results showed that methanol/water 70/30 (v/v) was the most effective solvent for extracting bioactive compounds from corn seeds in this study.
CHEMICAL ENGINEERING RESEARCH & DESIGN
(2021)
Article
Green & Sustainable Science & Technology
V Aryanpur, M. Ghahremani, S. Mamipour, M. Fattahi, B. O. Gallachoir, M. D. Bazilian, J. Glynn
Summary: This paper presents an ex-post analysis on the impact of electricity subsidy reform in Iran from 1984 to 2017. The analysis shows that subsidy reform could have reduced electricity consumption by 22% and increased the share of renewable energy in power generation from 5% to 15%. It also reveals that the reform would have saved $69 billion and avoided 944 million tons of CO2 emissions, while a five-year delay in subsidy removal causes an additional 100 million tons of CO2 emissions.
RENEWABLE & SUSTAINABLE ENERGY REVIEWS
(2022)
Article
Polymer Science
Hatim Alotaibi, Chamil Abeykoon, Constantinos Soutis, Masoud Jabbari
Summary: This paper presents a numerical framework for modelling and simulating convection-diffusion-reaction flows in liquid composite moulding (LCM). The model incorporates cure kinetics and rheological characteristics of thermoset resin impregnation. The simulations show its ability to provide information on flow-front, viscosity development, degree of cure, and rate of reaction at once. The model has been validated with a comparative analysis, showing good agreement with previous research findings.
Article
Chemistry, Multidisciplinary
Elise B. Gilcher, Hochan Chang, George W. Huber, James A. Dumesic
Summary: The hydrogenation of a biomass-derived platform molecule, 5-hydroxymethyl furfural (HMF)-acetone-HMF (HAH), was studied over Pd, Ru, and Cu based catalysts at temperatures ranging from 313-393 K. Different catalysts exhibited varying levels of selectivity and reaction pathways for hydrogenation. Kinetic modeling was used to quantify the behavior of the hydrogenation reactions. This study provides insights for optimizing catalyst selection and reaction conditions to improve the yield of hydrogenation products.
Article
Chemistry, Multidisciplinary
Raka G. Dastidar, Peter H. Galebach, Michael P. Lanci, Chengrong Wang, Yi Du, George W. Huber
Summary: Cellulose upgrading with methanol to produce fuel-range alcohols involves complex reactions, such as C-C coupling, C-O scission, and C-C scission, as observed in the conversion of 1,2-propanediol and methanol over CuMgAlOx catalyst. The selectivity of different products is influenced by the reaction orders with respect to hydrogen, 1,2-propanediol, and methanol, as well as the apparent activation energies for various pathways. The rate determining step in C-C coupling is found to be associated with the nucleophilic attack by 1,2-propanediol, and the co-feeding of formaldehyde affects the rates of C-C coupling, direct C-C scission, and esterification reactions.
Article
Chemistry, Physical
Paolo A. Cuello-Penaloza, Raka G. Dastidar, Shao-Chun Wang, Yi Du, Michael P. Lanci, Bradley Wooler, Christine E. Kliewer, Ive Hermans, James A. Dumesic, George W. Huber
Summary: A series of calcined MgAl mixed metal oxide catalysts with low Cu loadings were tested for ethanol oligomerization to distillate-range molecules. The low Cu loading catalysts showed high selectivity to linear chain alcohols and esters, with diesel fuel precursor selectivities over 75%.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2022)
Article
Biotechnology & Applied Microbiology
Lisa Je, George W. Huber, Reid C. Van Lehn, Victor M. Zavala
Summary: Computational workflows combining molecular dynamics simulations and data-centric methods can expedite the screening and analysis of solvent systems. By utilizing data representations derived from MD simulations, DC techniques enable predictive modeling and experimental design for solvent effects on reaction outcomes.
CURRENT OPINION IN CHEMICAL ENGINEERING
(2022)
Article
Chemistry, Physical
Elise B. Gilcher, Hochan Chang, Michael Rebarchik, George W. Huber, James A. Dumesic
Summary: This study developed lumped reaction schemes to optimize the yields of products from selective hydrogenation of HAH. By studying different reaction schemes and catalysts, rate constants and activation energies were calculated and the effects of water addition on the hydrogenation pathways were explored. The results showed that water addition had significantly different effects on hydrogenation rates and pathways under different catalysts, opening routes for the production of specific products.
Editorial Material
Chemistry, Multidisciplinary
Jean Marcel R. Gallo, Yomaira J. Pagan-Torres, George W. Huber
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2022)
Article
Chemistry, Physical
Paolo A. Cuello-Penaloza, Javier Chavarrio-Canas, Yi Du, Michael P. Lanci, Derek A. Maedke, James A. Dumesic, George W. Huber
Summary: In this study, we investigated the ethanol oligomerization process to higher alcohols and other oxygenates using a 0.3 wt. %Cu/Mg2.9AlO catalyst. We found that the selectivity towards diesel fuel precursor compounds increased with conversion until reaching a plateau at an ethanol conversion of around 70%. Alcohol selectivity followed the Schultz-Flory distribution at all studied conversions. We also observed that larger sized alcohols were mainly formed through chain-growth mechanisms, while higher esters were formed through a series reaction mechanism involving alcohols and aldehydes.
APPLIED CATALYSIS B-ENVIRONMENTAL
(2022)
Article
Chemistry, Multidisciplinary
Feng Cheng, Sarah Liu, Steven D. Karlen, Hoon Kim, Fachuang Lu, John Ralph, Leida Vazquez M. Ramos, George W. Huber, James A. Dumesic
Summary: This paper describes an approach for producing high quality and high quantity of lignin through studying the structural change of lignin during treatment of poplar wood in gamma-valerolactone (GVL). The results show that multiple-step cycling of cosolvent-assisted hydrolysis can help preserve more of the virgin ether-bond structures of GVL-extracted poplar lignin.
Article
Chemistry, Multidisciplinary
Aurora del Carmen Munguia-Lopez, Dilara Goreke, Kevin L. Sanchez-Rivera, Horacio A. Aguirre-Villegas, Styliani Avraamidou, George W. Huber, Victor M. Zavala
Summary: Food packaging often uses multilayer plastic films to achieve specific food protection goals. However, the production of these films generates large amounts of unrecyclable plastic waste. A proposed technology called STRAP enables the separation and recycling of the polymers in the films. This study evaluates the environmental benefits of STRAP compared to virgin film production using life cycle assessment methods.
Correction
Chemistry, Multidisciplinary
Houqian Li, Horacio A. Aguirre-Villegas, Robert D. Allen, Xianglan Bai, Craig H. Benson, Gregg T. Beckham, Sabrina L. Bradshaw, Jessica L. Brown, Robert C. Brown, Victor S. Cecon, Julia B. Curley, Greg W. Curtzwiler, Son Dong, Soumika Gaddameedi, John E. Estela-Garcia, Ive Hermans, Min Soo Kim, Jiaze Ma, Lesli O. Mark, Manos Mavrikakis, Olumide O. Olafasakin, Tim A. Osswald, Konstantinos G. Papanikolaou, Harish Radhakrishnan, Marco Antonio Sanchez Castillo, Kevin L. Sanchez-Rivera, Khairun N. Tumu, Reid C. Van Lehn, Keith L. Vorst, Mark M. Wright, Jiayang Wu, Victor M. Zavala, Panzheng Zhou, George W. Huber
Summary: This article mainly discusses the chemical aspects, technology status, and challenges of expanding plastics recycling technologies.
Article
Chemistry, Physical
Juan-Manuel Restrepo-Florez, Paolo Cuello-Penaloza, Emmanuel Canales, Dustin Witkowski, David A. Rothamer, George W. Huber, Christos T. Maravelias
Summary: This article introduces a sustainable approach of catalytic upgrading ethanol into diesel fuel through Guerbet coupling and etherification reactions, showing experimentally the feasibility of producing diesel fuel with superior properties. The use of lignocellulosic ethanol may lead to more than 50% reduction in greenhouse gas emissions, and in some instances, carbon neutral diesel fuel production is possible.
SUSTAINABLE ENERGY & FUELS
(2023)
Review
Chemistry, Multidisciplinary
Houqian Li, Horacio A. Aguirre-Villegas, Robert D. Allen, Xianglan Bai, Craig H. Benson, Gregg T. Beckham, Sabrina L. Bradshaw, Jessica L. Brown, Robert C. Brown, Victor S. Cecon, Julia B. Curley, Greg W. Curtzwiler, Son Dong, Soumika Gaddameedi, John E. Garcia, Ive Hermans, Min Soo Kim, Jiaze Ma, Lesli O. Mark, Manos Mavrikakis, Olumide O. Olafasakin, Tim A. Osswald, Konstantinos G. Papanikolaou, Harish Radhakrishnan, Marco Antonio Sanchez Castillo, Kevin L. Sanchez-Rivera, Khairun N. Tumu, Reid C. Van Lehn, Keith L. Vorst, Mark M. Wright, Jiayang Wu, Victor M. Zavala, Panzheng Zhou, George W. Huber
Summary: Globally, less than 10% of plastics are recycled, with new technologies for chemical recycling offering hope. Chemists and chemical engineers need to strengthen their understanding of these technologies, while options for managing plastic waste are explored.
Article
Chemistry, Physical
Elise B. Gilcher, Hochan Chang, Michael Rebarchik, George W. Huber, James A. Dumesic
Summary: In this study, lumped reaction schemes were developed to investigate the hydrogenation of HAH over different catalysts. The addition of water was found to have different effects on the hydrogenation reactions of HAH over Pd, Ru, and Cu catalysts, altering the selectivity and yield of the products while providing a new pathway to increase the production rates of specific products.
Correction
Chemistry, Multidisciplinary
Houqian Li, Horacio A. Aguirre-Villegas, Robert D. Allen, Xianglan Bai, Craig H. Benson, Gregg T. Beckham, Sabrina L. Bradshaw, Jessica L. Brown, Robert C. Brown, Victor S. Cecon, Julia B. Curley, Greg W. Curtzwiler, Son Dong, Soumika Gaddameedi, John E. Estela-Garcia, Ive Hermans, Min Soo Kim, Jiaze Ma, Lesli O. Mark, Manos Mavrikakis, Olumide O. Olafasakin, Tim A. Osswald, Konstantinos G. Papanikolaou, Harish Radhakrishnan, Marco Antonio Sanchez Castillo, Kevin L. Sanchez-Rivera, Khairun N. Tumu, Reid C. Van Lehn, Keith L. Vorst, Mark M. Wright, Jiayang Wu, Victor M. Zavala, Panzheng Zhou, George W. Huber
Article
Chemistry, Multidisciplinary
Raka G. Dastidar, Min Soo Kim, Panzheng Zhou, Zaneta Luo, Changxia Shi, Kevin J. Barnett, Daniel J. McClelland, Eugene Y. -X. Chen, Reid C. Van Lehn, George W. Huber
Summary: This study successfully synthesized THP with high selectivity and yield. THP exhibited excellent thermal, chemical, and peroxidative stability, making it a potential alternative solvent to THF. The minimum selling price of THP was competitive with the market price of THF. Simulation studies showed that THP could be used for plastic dissolution, especially for common plastics.
Article
Engineering, Chemical
Qing Han, Mengqing Shi, Linkai Han, Di Liu, Mingwei Tong, Yuxin Xie, Zhonghua Xiang
Summary: Developing highly efficient bifunctional oxygen electrocatalysts is crucial for zinc-air flow batteries. Metal-organic frameworks (MOFs) and covalent organic polymers (COPs) have emerged as promising alternatives due to their designable and controllable atomic-level structures. However, their catalytic performances are limited by conductivity and catalytic activity. In this study, nanosheet FeNi-MOF and iron phthalocyanine rich COP hybrid materials are assembled through the pi-pi stacking effect to create highly efficient bifunctional electrocatalysts. The resulting catalyst exhibits superior catalytic performance and stability, making it a promising candidate for zinc-air flow batteries.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Daria Grigorash, Dmytro Mihrin, Rene Wugt Larsen, Erling H. Stenby, Wei Yan
Summary: The article introduces a new approach to describe the cross-association between molecules, allowing for the simulation of weakly bound molecular complexes with different conformations in mixtures. By incorporating this approach into the equation of state, accurate predictions of vapor-liquid equilibrium and liquid-liquid equilibrium can be made. The new method is validated through experiments on alcohol and acid mixtures, with the results compared to experimental data, demonstrating its accuracy and reliability.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Mohammed Al-Sharabi, Daniel Markl, Vincenzino Vivacqua, Prince Bawuah, Natalie Maclean, Andrew P. E. York, Axel Zeitler
Summary: This study used terahertz pulsed imaging to investigate the transport process of different solvents into ceramic catalytic materials. The results showed that the heating rate of the samples influenced the water transport rate, while the viscosity of 1-octanol slowed down its transport.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Chukwunonso Anyaoku, Sati Bhattacharya, Rajarathinam Parthasarathy
Summary: This study aimed to enhance understanding of settling dynamics in viscoelastic fluids by developing a semi-empirical correlation and a dimensionless ratio, which accurately described the characteristics of settling suspensions.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Antti I. Koponen, Janika Viitala, Atsushi Tanaka, Baranivignesh Prakash, Olli-Ville Laukkanen, Ari Jasberg
Summary: This study focuses on the development of foam application chemicals for the paper and board industry. The research explores the rheology of the polyvinyl alcohol foam used in the process. Measurements were conducted to determine the foam viscosity and slip flow. The results suggest that slip flow contributes significantly to the total flow rate, and the obtained viscosity and slip models provide a solid foundation for industrial processes.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Dalei Sun, Jinghui Cai, Yating Yang, Zhiwu Liang
Summary: In this study, Fe-doped alpha-Bi2O3 catalysts with different Fe/Bi molar ratios were synthesized and utilized in the carbonylation of isobutyl amine with CO2. The results showed that Fe doping significantly enhanced the catalytic abilities of alpha-Bi2O3.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Yuan Tian, Xinxin Wang, Yanrong Liu, Wenping Hu
Summary: This paper predicts the solubility of nitrogen gas in ionic liquids (ILs) using two quantitative structure-property relationship (QSPR) models. By combining machine learning methods and ionic fragments contribution method, the accuracy and reliability of the prediction models are improved.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Liwang Wang, Wei Liu, Pan Yang, Yulong Chang, Xiaoxu Duan, Lingyu Xiao, Yaoming Hu, Jiwei Wu, Liang Ma, Hualin Wang
Summary: This study investigates the effective phase interfacial area (ae) of hydro-jet cyclones at different injection angles. The results show that a 45 degrees upward incidence angle yields the most favorable flow field characteristics for efficient mass transfer. The significant enhancement in ae of the hydro-jet cyclones offers the advantage of reducing equipment volume and cost savings.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Chuanjun Wu, Jiangzhi Chen, Jiyue Sun, I-Ming Chou, Shenghua Mei, Juezhi Lin, Lei Jiang
Summary: In this study, the solubility of H2S hydrate in water was measured using Raman spectroscopy. The results showed that the solubility increases with temperature under certain equilibrium conditions, and the solubility also depends on pressure and temperature under different equilibrium conditions. A thermodynamic model based on the van der Waals-Platteeuw theory was developed to predict the solubility, demonstrating its accuracy.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Lorenzo Brivio, Serena Meini, Mattia Sponchioni, Davide Moscatelli
Summary: This study investigates the influence of three main parameters and proposes a kinetic model to predict the optimal operating conditions for high yield of dimethyl terephthalate (DMT) in the chemical recycling process of polyethylene terephthalate (PET).
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Hongju Lin, Fanhui Liao, Yanchang Chu, Mingyu Xie, Lun Pan, Yuanyuan Wang, Lijian Leng, Donghai Xu, Le Yang, Gangfeng Ouyang
Summary: A honeycomb NiCo/C-Na catalyst with a micro-meso-macroporous structure has been fabricated and shown to have significantly higher catalytic activity for the decarboxylation of fatty acids. It also proves to be efficient in upgrading sludge HTL bio-crude, resulting in a biofuel with decreased viscosity and increased density.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Xiaoxian Li, Rui Li, Min Lin, Mingde Yang, Yulong Wu
Summary: A series of coated non-noble metal porous carbon catalysts were synthesized and applied to the aqueous-phase deoxygenation of algal bio-oil. One of the catalysts showed excellent deoxygenation selectivity and catalytic activity at 250 degrees C. The catalyst exhibited good hydrothermal stability and the reaction mechanism was proposed based on product analysis and active site analysis.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
M. V. Chudakova, M. V. Popov, P. A. Korovchenko, E. O. Pentsak, A. R. Latypova, P. B. Kurmashov, A. A. Pimenov, E. A. Tsilimbaeva, I. S. Levin, A. G. Bannov, A. V. Kleymenov
Summary: A series of catalysts with different potassium contents were prepared using solution combustion synthesis and characterized using various techniques. The results showed that the potassium content affected the phase composition and texture of the catalysts. The addition of a small amount of potassium resulted in a change in particle size distribution, leading to higher hydrogen yield. The Ni-1%K2O/Al2O3 catalyst exhibited the highest hydrogen yield at temperatures of 675 and 750 degrees Celsius.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Aliakbar Roosta, Nima Rezaei
Summary: In this study, we modified the electrolyte cubic plus association equation of state (e-CPA EoS) and integrated it with two electrical conductivity models to estimate the electrical conductivity of 11 monovalent electrolyte solutions in water. The modified e-CPA model demonstrated better performance and the hybridization with electrical conductivity models resulted in two predictive models for estimating the electrical conduction of dilute and concentrated electrolyte solutions. These predictive models showed relative average percentage deviations (AARD) of 11.15% and 13.87% over wide ranges of temperature and electrolyte concentration.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Engineering, Chemical
Haoren Niu, Jianzheng Wang, Qingzhu Jia, Qiang Wang, Jin Zhao, Fangyou Yan
Summary: A study developed two quantitative structure-property relationship models for the complexation performance of alpha- and beta-cyclodextrins and validated their stability and predictive ability through internal and external validation. The models showed robustness and satisfactory performance, as demonstrated by the experimental results and model validations. These models can effectively predict the binding constants between cyclodextrins and various types of molecules, providing valuable tools for cyclodextrin design.
CHEMICAL ENGINEERING SCIENCE
(2024)
