Industrial & Engineering Chemistry Research最新文献

{"title":"Technoeconomic Analysis of Microwave-Assisted Dry Reforming Integrated with Chemical Looping for Production of Methanol","authors":"Omar Almaraz, Jarrett Riley, Srinivas Palanki","doi":"10.1021/acs.iecr.5c00543","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00543","url":null,"abstract":"Methanol is a key component in producing formaldehyde, acetic acid, and methyl <i>tert</i>-butyl ether (MTBE) and supports a wide array of industries, including plastics, textiles, and automotive. It also plays a growing role in renewable energy solutions. However, the conventional production of methanol involves steam reforming of methane, which is very energy-intensive and produces significant quantities of the greenhouse gas carbon dioxide. In this research, a chemical looping scheme is combined with dry reforming of natural gas in a novel microwave reactor to produce an industrial quantity of methanol. A heat exchanger network is developed to substantially reduce hot and cold utility usage. The effect of the cost of purchasing carbon dioxide from an external source for dry reforming, the capital cost of the microwave reactor, and the cost of electricity on the net present value is analyzed. Technoeconomic comparison with the conventional industrial process that produces methanol via steam reforming of methane indicates that the chemical looping generates a significant positive net present value along with a substantial reduction in carbon dioxide emissions while producing methanol significantly below the U.S. Department of Energy’s goal of $800/ton.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"19 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144237611","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhancing Paper’s Mechanical Strength and Antibacterial Properties through a Biopolymer-Based Coating","authors":"Neha Sawant, Sara T. Caceres, Carin L. Garcia, Mario O. C. Lizardo, Carol Beaver, Santiago Aparicio, Mert Atilhan","doi":"10.1021/acs.iecr.5c01067","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c01067","url":null,"abstract":"This study presents a sustainable approach to improving the antibacterial and mechanical properties of paper through the application of a biopolymer-based coating derived from citric acid-modified soybean flour (SBFC) and carboxymethyl cellulose (CMC). The SBFC was synthesized via thermal cross-linking between citric acid and defatted soybean flour under optimized conditions (140 °C for 2 h, with Na₂HPO₄ as a catalyst), facilitating ester and amide bond formation that was confirmed via FTIR spectroscopy. Aqueous solutions of SBFC were subsequently blended with CMC at varying ratios, and a 50:50 formulation was optimized for the best performance of dispersion stability and coating performance. The final SBFC/CMC coating exhibited a 61.8% improvement in tensile strength compared to uncoated paper. Antibacterial activity was evaluated using <i>Escherichia coli</i> ATCC 25922 as a model Gram-negative bacterium, with bacterial reduction confirmed through CFU-based plate counts. The coating achieved a log₁₀ reduction of 1.2–1.7 relative to that of the controls, corresponding to an 84–89% reduction in viable bacterial colonies. While testing was limited to a single bacterial strain, the results demonstrate promising antibacterial performance. This work highlights the potential of citric-acid-modified biopolymer coatings as multifunctional additives for improving the performance and hygiene properties of paper substrates, particularly in packaging applications.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"54 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144228801","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Flash Calcination of Lime Mud from the Forest Industry: Influence of the Gas Atmosphere and Temperature on Calcination Behavior and Product Morphology","authors":"Ole Reinsdorf, Therese Vikström, Henrik Wiinikka","doi":"10.1021/acs.iecr.5c01063","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c01063","url":null,"abstract":"In this article, the effects of calcination temperature and calcination atmosphere on the properties of the lime produced during flash calcination of industrial lime mud samples in a pilot-sized drop tube furnace have been studied. Flash calcination was performed at a wide range of temperatures between 800 and 1300 °C and different gas mixtures containing N₂, CO₂, and H₂O in the calcination atmosphere. The effect of the calcination condition on the key conditions of the produced CaO, such as chemical composition, surface area, porosity, and particle morphology, has been shown. The addition of CO₂ to the inert atmosphere led to slower calcination rates and a higher onset temperature for the calcination, but no changes to morphology. Furthermore, the addition of H₂O to the calcination atmosphere generally led to lower calcination rates at higher temperatures and smoother particles in comparison to CO₂ and N₂.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"6 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144228800","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Social Life Cycle Assessment of a Circular Economy System of Lignin-Based Biocoating","authors":"Beatriz Cassuriaga, Andreia Santos, Pedro Alves, Leo Staccioli, Jose Gallego, Ana Carvalho","doi":"10.1021/acs.iecr.5c00653","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00653","url":null,"abstract":"Circular Economy is based on two types of cycles: the biological cycle and the technical cycle. The biological cycle has still lacked attention by the scientific community due to its inherent complexity, requiring more studies that evaluate its sustainability. To ensure that circular economy systems are sustainable, economic, environmental, and social aspects should be evaluated and integrated into the circular economy decisions. However, the literature lacks social assessment models that aid implementation of circular economy systems. This article aims to fill these gaps by proposing a new social assessment framework to evaluate and guide a lignin-based coatings value chain, providing a new stakeholders’ engagement plan with recommendations that clearly link the bioeconomy systems implementation with the corporate social responsibility practices. The engagement plan is achieved through the employment of a Social Life Cycle Assessment methodology, which integrates stakeholders’ analysis, namely, a power–interest matrix. This new model will allow practitioners to include mitigation actions to minimize social impacts in the implementation of lignin-based coatings value chains in order to potentiate social benefits that can arise from its implementation. Also, the framework guides practitioners in the stakeholder’s integration and communication, describes the role of each stakeholder, and proposes a set of indicators to monitor their activities. The model is also easily adapted to any other bioeconomy model, allowing social decisions to be integrated into bioeconomy systems implementation.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"70 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144229092","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Integrated Experimental and Computational Studies on Self-Curing Epoxies Derived from Magnolol Benzoxazines for Microbial-Resistant and Corrosion-Resistant Coatings","authors":"Priyanka Madesh, Balaji Krishnasamy","doi":"10.1021/acs.iecr.5c00990","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00990","url":null,"abstract":"Three structurally varying benzoxazine monomers (Ml-a, Ml-i, and Ml-d) were synthesized using magnolol (Ml) against aniline (a), imidazole propylamine (i), and dimethylaminopropylamine (d), and the terminal allyl groups of the benzoxazines were epoxidized. Fourier transform infrared spectroscopy, ¹H-nuclear magnetic resonance spectroscopy, and high-resolution mass spectroscopy data revealed the successful formation of the monomers. Among all benzoxazine monomers, Ml-a exhibited the lowest polymerization temperature of 220 °C, whereas the benzoxazine polymerization temperature reduced to 191 °C in Ml-a-ep along with an additional polymerization peak at 135 °C, which corresponds to epoxy ring opening. Thermogravimetric analysis revealed that poly(Ml-a-ep) possessed the highest thermal stability of 48% residual mass at 850 °C with limiting oxygen index and heat resistance index values of 37 and 203, respectively. Ml-d-ep possessed the highest antimicrobial activity with a maximum inhibition zone of 41 mm and 32 mm against <i>Escherichia coli</i> and <i>Staphylococcus aureus</i> bacteria. The 2,2-diphenyl-1-picrylhydrazyl antioxidant assay disclosed that Ml-d among benzoxazines and Ml-d-ep among epoxidized benzoxazines possess the highest radical scavenging activity at a concentration of 100 μg/mL. The anticorrosion and hydrophobic studies revealed that poly(Ml-d) possess the highest corrosion inhibition efficiency of 99.9% and a water contact angle value of 149 °. The computational data obtained from density functional theory support the highest corrosion prevention ability of poly(Ml-d). The monomers confirmed the anticancer activity against breast cancer MCF-7 (Michigan Cancer Foundation-7) cell lines through computational molecular docking studies. The toxic profile of the monomers in the current study from ADMET (absorption, distribution, metabolism, excretion, and toxicity) and MTT assay reveals low biocompatibility.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"20 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144229093","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A Circular Economy Systems Engineering Framework for Waste Management of Photovoltaic Panels","authors":"Funda Iseri, Halil Iseri, Eleftherios Iakovou, Efstratios N. Pistikopoulos","doi":"10.1021/acs.iecr.5c00588","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00588","url":null,"abstract":"The growing global population places immense pressure on natural resources, leading to extensive raw material extraction and substantial waste generation, which exacerbate resource depletion, ecosystem degradation, and greenhouse gas emissions. The problem has become particularly evident in addressing the increasing raw material needs for renewable energy investments consisting of solar panels, wind turbines, and batteries under limited and geographically constrained resources along with the problem of the end-of-life (EoL) management of retired systems. Transitioning to a circular economy (CE) offers a sustainable solution to this dual problem by creating regenerative processes and supply chains that prioritize reuse and the recovery of valuable materials, addressing resource needs, and waste problems. While CE aims to decouple economic growth from raw material dependency, balancing conflicting objectives of multiple stakeholders in industry, society, and government calls for advanced mathematical models to make informed investment, operations, and regulatory decisions. This study introduces an initial effort toward a holistic Circular Economy Systems Engineering framework, integrating multidisciplinary approaches to systematically design, operate, and optimize cost-effective, environmentally conscious, and resilient systems that close material and energy loops while addressing economic, environmental, and social objectives under resource constraints. In this research, we present a multiobjective optimization framework for EoL management of photovoltaic panels, combining cost and life-cycle assessment (LCA) driven CO₂ equivalent emissions parameters in a mixed-integer linear programming approach to explore optimal strategies for resource recovery and waste management. The framework helps identify optimal solutions tailored to waste management strategies. A case study on monocrystalline silicon photovoltaic recycling and production demonstrates the framework’s ability to investigate the trade-offs between economic and environmental objectives, highlighting its potential to advance CE strategies by recovering critical resources and supporting sustainable practices in complex forward and reverse supply chains.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"54 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144229094","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Dynamic Performance Analysis of Swellable Monolithic Hydrogel-Based Catalyst in Continuous Reaction Column","authors":"Navid Ahadi-Jomairan, Ali Nematollahzadeh, Behruz Mirzayi","doi":"10.1021/acs.iecr.5c01490","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c01490","url":null,"abstract":"Operation of a reaction column packed with a swellable monolithic catalyst in continuous mode results in interesting transitional properties and a moving boundary. This study simulated the dynamic performance of a hydrogel-based monolithic catalyst in reducing 4-nitrophenol (4-NP) to 4-aminophenol (4-AP), revealing the unique transitional properties associated with swellable catalysts in continuous operation. The effect of feed flow rate and the concentration on conversion, catalyst activity and deactivation, pressure drop, and residence time distribution (RTD) were investigated for three distinct scenarios of completely swollen hydrogel (cSH), nonswellable hydrogel (nSH), and time-dependent swelling hydrogel (tSH). We demonstrated that the tSH configuration is much more interesting, wherein the conversion approaches ∼100%, despite exhibiting catalyst activity comparable to cSH and lower than nSH. For all the scenarios, the conversion decreased with increasing flow rate of the feed at a given concentration. Furthermore, the pressure drop during the reaction for nSH was negligible at a given flow rate. While for the cSH, the highest and constant pressure drop of about 50 kPa was obtained. However, for the tSH, as the reaction proceeded, the pressure drop increased nonlinearly and approached a value slightly higher than 50 kPa. The results suggest that at least for a pseudo-first-order reaction, a bed height with a moving front might be appropriate as the reactor does not always experience the highest pressure drop, and at the same time, the conversion is favorable.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"9 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144228802","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Unraveling the Mechanism of Trimerization Reaction of Hexamethylene Diisocyanate: DFT Calculation and Experiments","authors":"Ranran Shi, Jianyong Mao, Jijun Ge, Guoxuan Li, Rongshan Bi, Pan Xu","doi":"10.1021/acs.iecr.5c01301","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c01301","url":null,"abstract":"The hexamethylenediisocyanate (HDI) trimer synthesis process is challenging to control. It is of great significance to clarify the mechanism of the HDI synthesis process for inhibiting the production of byproducts and improving the yield of target products. The synthesized HDI-trimer was characterized by FTIR, GPC, and NMR, and the structured of the HDI-trimer and its byproducts in the product were determined. The DFT method was used to study the transition states, reaction paths, and thermodynamic properties of HDI-trimers and their byproducts. The polymerization mechanism was analyzed from an energy point of view, and a two-step reaction mechanism of HDI cyclotrimerization was proposed. First, two HDI monomers reacted with the isocyanate (−NCO) group to form a quaternary ring 11-dimer, and the reaction energy barrier was 126.3 kJ/mol in the gas phase. Further, the 11-dimer reacts with the HDI monomer to form a six-membered-ring transition state with 149.9 kJ/mol energy and finally forms a six-membered HDI-trimer. Similarly, the formation process of byproducts in the HDI cyclotrimerization reaction is analyzed, and it is proposed that the byproducts (including HDI asymmetric trimers, pentamers, heptamers, and other polymers) are all two-step reaction mechanisms. With an increase in the number of polymerization units (<i>n</i>) in the polymer, the reaction energy barrier increases, and the reaction becomes more challenging.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"59 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144229224","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Design and Application of Triangular Composition Descriptors for Predicting the Physicochemical Properties of Hydrocarbon Mixtures","authors":"Xiaomeng Zhao, Linyuan Huang, Shan Zhong, Hongjiao Li, Lei Song, Feng Lu, Houfang Lu, Siyang Tang, Bin Liang","doi":"10.1021/acs.iecr.5c00685","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00685","url":null,"abstract":"Sustainable aviation fuels (SAFs) are being considered as alternative, clean, sustainable, and renewable energy resources to meet the global carbon-neutral target. Currently, most SAFs are blended with conventional fuels, which alters the composition and properties of aviation fuels, but a limited understanding of the hydrocarbon mixture composition and properties hinders their development. Quantitative structure–property relationship (QSPR) models predict macroscopic properties based on molecular structures, but existing models mainly address pure substances, leaving descriptor generation for mixtures challenging. This study introduces characteristic triangles, derived from four key oil features (average carbon number, aromatics, cycloalkanes, and isomeric alkanes), to predict hydrocarbon mixture properties (density, kinematic viscosity, refractive index, surface tension, average volume boiling point, flash point, and freezing point). Results show that integrating triangular descriptors significantly enhances predictive accuracy, enabling rapid property evaluation and offering valuable design insights for new oil products.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"5 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144229234","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Maximizing Lithium Adsorption and Selectivity on Manganese-Based Ion Sieves: Effects of Thermal Treatment, Acid Content, and Operating Conditions","authors":"Botelho Disu, Roozbeh Rafati, Amin Sharifi Haddad, David Muirhead","doi":"10.1021/acs.iecr.5c00735","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00735","url":null,"abstract":"Lithium has been proven to be a critical metal for energy transition due to its application as high-grade energy storage. Its extraction has long been limited to conventional sources (i.e., mines and salt lakes), which use solar ponds and chemical treatment methods. However, to respond to the ever-increasing exponential demand for Li⁺, unconventional resources such as subsurface brines from geothermal and oilfields have lately been considered, with technological extraction means being the main challenge. The present research focuses on maximizing lithium adsorption and selectivity on manganese-based ion sieves by optimizing key factors such as the thermal treatment condition for powder calcination, acid content, and batch experiment operating conditions. Thus, it aims to enhance the efficiency of the ion-sieve synthesis process while minimizing energy and reagent consumption, addressing both the performance and scalability challenges of existing methods. It was observed that the lithium excess spinel cubic structure (i.e., Li_1.6Mn_1.6O₄) ion sieve was optimum for lithium recovery when LiMnO₂ was heat treated at 400–450 °C for 4 h at a ramping rate of 10 °C/min. The precursor was then treated with various acids to remove the template Li⁺ from the structure without compromising it, whereby HCl-treated powder registered the highest desorption (95%), CH₃COOH the lowest Mn²⁺ dissolution (9%), and H₃PO₄ the highest adsorption (29.5 mg/g). Hence, CH₃COOH was the best delithiation medium when the material recyclability was the main focus, while HCl serves well to enhance the final recovery efficiency of lithium ions from the sieve structure. The adsorption of the optimum Li_1.6Mn_1.6O₄ spinel cubic structure treated with 0.5 M HCl acid solution was described as a Langmuir monolayer model with an equilibrium retention capacity of 34.25 mg/g and dynamic pseudo-second-order chemisorption. The powder selectivity performance, Li⁺ ≫ Mg²⁺ &gt; Fe²⁺ &gt; Na⁺ &gt; Ca²⁺ &gt; Sr²⁺ &gt; Ba²⁺ &gt; K⁺ was primarily a function of the structure’s memory effect, with a secondary dependence on size and charge. When applied to synthetic lithium-rich Oilfield brine from Buchan (U.K.), Leduc (Canada), and Somerset, the extraction performance was recorded to be 20, 23, and 27 mg/g, respectively, at an S/L ratio of 1 g/L. The effects of operating conditions were also evaluated, with adsorption increasing with pH and brine temperature while decreasing moderately with stirring rate, Mg, and Na/Li ratio.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"331 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144218773","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}