ACS Sustainable Resource Management最新文献

{"title":"Graphitic Biocarbon from Agrowaste Biomass: A Sustainable Material of Excellent Lubrication Performance","authors":"Sweta Mehta,&nbsp;Pratiksha Joshi,&nbsp;Anchal Pandey,&nbsp;Ramesh N. Goswami,&nbsp;Om P. Sharma and Om P. Khatri*,&nbsp;","doi":"10.1021/acssusresmgt.4c0041110.1021/acssusresmgt.4c00411","DOIUrl":"https://doi.org/10.1021/acssusresmgt.4c00411https://doi.org/10.1021/acssusresmgt.4c00411","url":null,"abstract":"<p >Sustainable and ecofriendly materials are gaining immense interest in various engineering applications to minimize environmental footprints. In particular, biomass-derived carbon materials with controlled structural features play important roles in the development of structural and functional composites for different industrial applications. The biomass-based lamellar structured carbon materials hold significant potential for tribological applications. The present work demonstrates the synthesis of graphitic domains-enriched biocarbon from lignocellulosic agrowaste biomass and its application as a sustainable material of excellent lubrication performance. The structural, chemical, and morphological properties of biocarbons were probed by Raman, infrared, X-ray photoelectron spectroscopy, and transmission electron microscopy measurements. Octadecyltrichlorosilane was grafted on the biocarbon surface to make it compatible with mineral lube base oil for long-term dispersibility. The tribological experiments were conducted by ASTM D4172-B and ASTM D5183-21a test methods. The stable dispersion of biocarbon in mineral lube base oil extended excellent lubrication performance by reducing the friction coefficient (36%) and wear volume (64%) of the steel tribopair. The Raman results signified graphitic biocarbon-based thin film deposition on tribo surfaces, which protected the contact interfaces to minimize wear and decreased the friction coefficient. The excellent dispersibility, low resistance-to-shear by lamellar pattern, the excellent affinity of biocarbon to the steel surface, and the formation of graphitic biocarbon-based tribo thin films collectively improved the lubrication performance.</p>","PeriodicalId":100015,"journal":{"name":"ACS Sustainable Resource Management","volume":"2 1","pages":"166–176 166–176"},"PeriodicalIF":0.0,"publicationDate":"2025-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143087860","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Industrial Calcium Byproduct Waste: Sustainable Construction Materials for Building Applications","authors":"Sandeep Gupta*,&nbsp;","doi":"10.1021/acssusresmgt.4c0043510.1021/acssusresmgt.4c00435","DOIUrl":"https://doi.org/10.1021/acssusresmgt.4c00435https://doi.org/10.1021/acssusresmgt.4c00435","url":null,"abstract":"<p >A sustainable and novel approach has been explored for utilizing calcium-rich byproduct waste as a pragmatic solution to address solid industrial waste generation. This initiative advances new construction technologies by developing cement-free wall putty. Industrial activities generate calcium-rich byproduct waste on million-ton scale, which is often disposed of in the open environment, leading to its accumulation in landfills. Production of a large volume of industrial calcium byproduct waste creates serious environmental challenges and several negative consequences like depletion of soil fertility, impact on biodegradation processes, etc. Although utilization of industrial byproduct waste in solid waste management has been extensively documented in scientific literature, to the best of our knowledge, research on the utilization of calcium byproduct waste for the development of cement-free wall putty remains unexplored so far. However, commercially available wall putty is composed of dolomite, white cement, and cellulose polymer additives. The outlined scheme utilizes calcium byproduct waste of the acetylene gas industry and pulp industry as calcium hydroxide and calcium carbonate, respectively. Despite the modification in raw materials, the resulting wall putty exhibits properties and performance almost similar to those of commercially available wall putty with the added advantage of being safe and free from heavy metal ion contaminants. The unique selling proposition of this putty powder lies in its low carbon footprint as a construction material, free from white cement. Additionally, it offers superior performance by resisting cracking and flaking of paints, ensuring long-lasting and durable wall finishes. The X-ray diffraction profile of the putty powder reveals the crystalline structure of the calcite and portlandite phases. SEM studies show an agglomerated structure due to attractive van der Waals interactions of the putty paste containing hydroxyl functionalities with the polymer matrix. Scalable strategies outlined in this article not only align with domestic technological development but also promote the waste-to-wealth approach, contributing to recycling and reuse of byproduct waste. The presented initiative supports several United Nations Sustainable Development Goals which emphasize the importance of sustainability in industrial practices, environmental concerns, and restoration materials for conservation of cultural heritage structures.</p>","PeriodicalId":100015,"journal":{"name":"ACS Sustainable Resource Management","volume":"2 1","pages":"212–218 212–218"},"PeriodicalIF":0.0,"publicationDate":"2025-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143091505","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Experimental, Machine-Learning, and Computational Studies of the Sequestration of Pharmaceutical Mixtures Using Lignin-Derived Magnetic Activated Carbon","authors":"Adedapo O. Adeola*,&nbsp;Gianluca Fuoco,&nbsp;Kayode A. Adegoke,&nbsp;Oluwatobi Adeleke,&nbsp;Abel K. Oyebamiji,&nbsp;Luis Paramo and Rafik Naccache*,&nbsp;","doi":"10.1021/acssusresmgt.4c0045110.1021/acssusresmgt.4c00451","DOIUrl":"https://doi.org/10.1021/acssusresmgt.4c00451https://doi.org/10.1021/acssusresmgt.4c00451","url":null,"abstract":"<p >Pharmaceutical pollutants pose significant risks to human health and aquatic ecosystems. This study investigates lignin-derived magnetic carbon composite (L-MAC) for removing atenolol (ATN), carbamazepine (CBZ), diclofenac (DCF), and sulfamethoxazole (SMZ) from aqueous media. Characterization of L-MAC’s physicochemical properties, along with isotherm and kinetic studies, revealed that the Langmuir and pseudo-second-order models best describe sorbent–sorbate interactions, with maximum adsorption capacities ranging from 11.30 to 27.97 mg/g. The adsorption efficiency followed the order ATN &lt; SMZ &lt; CBZ &lt; DCF, achieving over 99% removal under optimal conditions of 1–4 h contact time and pH 2–7. Strong π–π interactions, hydrogen bonding, and chemisorption contributed to sorption irreversibility. Artificial intelligence models predicted a material performance with high accuracy. The adaptive neuro-fuzzy inference system model outperformed others, achieving error coefficients of 5.745, 3.125, and 11.085 during training and 6.123, 4.974, and 12.456 during testing. Density functional theory analysis examined reactivity and binding strength using descriptors like HOMO–LUMO energy gaps. DCF showed the highest electron-donor capacity, followed by CBZ, ATN, and SMZ, confirming L-MAC’s high efficacy in removing pharmaceuticals. This study demonstrates L-MAC’s robustness for the adsorptive removal of contaminant mixtures.</p>","PeriodicalId":100015,"journal":{"name":"ACS Sustainable Resource Management","volume":"2 1","pages":"219–230 219–230"},"PeriodicalIF":0.0,"publicationDate":"2025-01-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143091397","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Research on the Carbon Emission Reduction Path in Zhejiang Province from the Perspective of Environmental Regulation","authors":"Yujuan Chen*,&nbsp;Wenwen Yang* and Xiaosu Wang,&nbsp;","doi":"10.1021/acssusresmgt.4c0034510.1021/acssusresmgt.4c00345","DOIUrl":"https://doi.org/10.1021/acssusresmgt.4c00345https://doi.org/10.1021/acssusresmgt.4c00345","url":null,"abstract":"<p >This study crafted a comprehensive framework for assessing environmental regulations across 11 prefecture-level cities, utilizing an advanced CRITIC-entropy weighting approach for a holistic macro-level evaluation. By leveraging a Backpropagation Neural Network to delve into the influence of individual indicators on carbon emissions, it pinpoints the pivotal factors driving Zhejiang Province’s carbon reduction trajectory. Consequently, the findings provide robust insights and strategic guidance for future environmental protection endeavors. The research findings indicate: (1) There exists spatial heterogeneity in both the level of environmental regulation and carbon emission intensity across the 11 cities in Zhejiang Province. (2) The rationality and significance of the constructed city environmental regulation evaluation index system’s impact on carbon emission intensity have been verified. (3) Environmental regulation exerts a significant suppressive effect on carbon emission intensity in the 11 cities of Zhejiang Province, with notable regional heterogeneity in the direct effects. In response, the paper proposes: selecting appropriate intensities and methods of environmental protection legal regulation to facilitate the coordinated development of industrial structure and energy consumption structure and adopting tailored approaches to legal regulation in environmental protection to enhance the synergy between environmental oversight and industrial restructuring, thereby promoting their integrated development.</p>","PeriodicalId":100015,"journal":{"name":"ACS Sustainable Resource Management","volume":"2 1","pages":"82–88 82–88"},"PeriodicalIF":0.0,"publicationDate":"2025-01-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143091094","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Upcycling of Enzymatically Recovered Amino Acids from Textile Waste Blends: Approaches for Production of Valuable Second-Generation Bioproducts.","authors":"Sophia Mihalyi, Irene Milani, Diego Romano, Silvia Donzella, Marion Sumetzberger-Hasinger, Felice Quartinello, Georg M Guebitz","doi":"10.1021/acssusresmgt.4c00404","DOIUrl":"10.1021/acssusresmgt.4c00404","url":null,"abstract":"<p><p>Tremendous quantities of textile waste generated and primarily landfilled annually represent a huge risk of contaminating the environment, together with loss of valuable resources. Especially, blended fabrics further pose a challenge for recycling and valorization strategies, while enzymatic hydrolysis offers a highly specific and environmentally friendly solution. In this study, we demonstrate that proteases specifically hydrolyze the wool components in blends with polyester, allowing recovery of pure polyester fibers as well as amino acids and peptides as platform molecules for further valorization. Recovered amino acids and peptides were successfully used as a nitrogen source for cultivation of <i>Chlorella vulgaris</i> and <i>Rhodotorula mucilaginosa</i> for the production of valuable biomolecules including pigments and lipids. Here, 11.3 mg/g_CDW chlorophyll and 47% lipid content were obtained from algal biomass, while 1.1 mg/g_CDW carotenoids and 35% lipids content were reached from the yeast grown on wool hydrolysate as the sole nitrogen source. These could be applied as natural dyes for textile applications or as biofuels to replace toxic synthetic compounds and fossil resources, respectively. The presented concept demonstrates feasibility of enzymatic recovery and microbial valorization of components of blended textile waste to support the development toward a circular bioeconomy.</p>","PeriodicalId":100015,"journal":{"name":"ACS Sustainable Resource Management","volume":"2 1","pages":"157-165"},"PeriodicalIF":0.0,"publicationDate":"2025-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11770743/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143061841","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Upcycling of Enzymatically Recovered Amino Acids from Textile Waste Blends: Approaches for Production of Valuable Second-Generation Bioproducts","authors":"Sophia Mihalyi*,&nbsp;Irene Milani,&nbsp;Diego Romano,&nbsp;Silvia Donzella,&nbsp;Marion Sumetzberger-Hasinger,&nbsp;Felice Quartinello* and Georg M. Guebitz,&nbsp;","doi":"10.1021/acssusresmgt.4c0040410.1021/acssusresmgt.4c00404","DOIUrl":"https://doi.org/10.1021/acssusresmgt.4c00404https://doi.org/10.1021/acssusresmgt.4c00404","url":null,"abstract":"<p >Tremendous quantities of textile waste generated and primarily landfilled annually represent a huge risk of contaminating the environment, together with loss of valuable resources. Especially, blended fabrics further pose a challenge for recycling and valorization strategies, while enzymatic hydrolysis offers a highly specific and environmentally friendly solution. In this study, we demonstrate that proteases specifically hydrolyze the wool components in blends with polyester, allowing recovery of pure polyester fibers as well as amino acids and peptides as platform molecules for further valorization. Recovered amino acids and peptides were successfully used as a nitrogen source for cultivation of <i>Chlorella vulgaris</i> and <i>Rhodotorula mucilaginosa</i> for the production of valuable biomolecules including pigments and lipids. Here, 11.3 mg/g_CDW chlorophyll and 47% lipid content were obtained from algal biomass, while 1.1 mg/g_CDW carotenoids and 35% lipids content were reached from the yeast grown on wool hydrolysate as the sole nitrogen source. These could be applied as natural dyes for textile applications or as biofuels to replace toxic synthetic compounds and fossil resources, respectively. The presented concept demonstrates feasibility of enzymatic recovery and microbial valorization of components of blended textile waste to support the development toward a circular bioeconomy.</p><p >Novel sustainable and environmentally friendly textile recycling and upcycling approaches are urgently needed to avoid increasing accumulation of nonbiodegradable polymers and toxic compounds in landfills.</p>","PeriodicalId":100015,"journal":{"name":"ACS Sustainable Resource Management","volume":"2 1","pages":"157–165 157–165"},"PeriodicalIF":0.0,"publicationDate":"2025-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acssusresmgt.4c00404","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143089758","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Highly Effective Removal of Moxifloxacin from Aqueous Solutions Using Graphene Oxide Functionalized with Sodium Dodecyl Sulfate","authors":"Md Humayun Kabir,&nbsp;Md Jalil Miah,&nbsp;Abdul Kader Mohiuddin,&nbsp;Md. Sanwar Hossain,&nbsp;Bushra Parvin Upoma,&nbsp;Md Aftab Ali Shaikh,&nbsp;Md Yeasin Pabel,&nbsp;Fahima Mojumder,&nbsp;Rashed Mahmud,&nbsp;Nazmul Islam Tanvir and Sabina Yasmin*,&nbsp;","doi":"10.1021/acssusresmgt.4c0029610.1021/acssusresmgt.4c00296","DOIUrl":"https://doi.org/10.1021/acssusresmgt.4c00296https://doi.org/10.1021/acssusresmgt.4c00296","url":null,"abstract":"<p >In this study, sodium dodecyl sulfate modified graphene oxide (GO-SDS) was prepared as an adsorbent to remove moxifloxacin (MFX) from aqueous solution. Transmission electron microscopic (TEM) and scanning electron microscopic (SEM) images showed that SDS decreases the aggregation of the GO surface, which significantly increased the surface area and the interlayer distance between successive layers of GO-SDS. Adsorption studies demonstrated that 98% of MFX was removed by GO-SDS within 15 min at pH 5.8, while the adsorbent dosage was 37.5 mg L^–1. The adsorption kinetics followed the pseudo-second order linear model, while the linear Langmuir adsorption isotherm model fitted the data better than the Freundlich model. The values of Δ<i>H</i> and Δ<i>S</i> obtained from the thermodynamic studies were +5.603 kJ mol^–¹ and +2.114 kJ mol^–¹ K^–¹, respectively, indicating that the adsorption process between GO-SDS and MFX is endothermic and spontaneous. Furthermore, the satisfactory reusability of GO-SDS revealed that it could be an effective adsorbent for MFX removal from the aqueous solution.</p>","PeriodicalId":100015,"journal":{"name":"ACS Sustainable Resource Management","volume":"2 2","pages":"256–266 256–266"},"PeriodicalIF":0.0,"publicationDate":"2025-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143496398","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesizing Highly Crystalline Graphite Powder from Bulk Polyethylene Waste for Lithium-Ion Battery Anodes","authors":"Ki-Joong Kim*,&nbsp;Viet Hung Pham,&nbsp;Yuan Gao,&nbsp;Ngoc Tien Huynh,&nbsp;Yun-Yang Lee,&nbsp;Congjun Wang and Christopher Matranga,&nbsp;","doi":"10.1021/acssusresmgt.4c0039810.1021/acssusresmgt.4c00398","DOIUrl":"https://doi.org/10.1021/acssusresmgt.4c00398https://doi.org/10.1021/acssusresmgt.4c00398","url":null,"abstract":"<p >Upcycling plastic waste into graphite can potentially be used, in conjunction with other methods, to manage existing waste materials and diversify graphite supply chains. However, synthesizing large quantities of crystalline graphite powder from plastic waste, particularly polyethylene (PE), remains a challenge because PE decomposes into light gases during thermal processing and simple methods do not exist at any appreciable size scale to address this challenge. In this work, a method is developed for air processing bulk forms of PE waste to create stable carbon char that does not readily decompose during high-temperature processing. This method employs solid additives in the form of salts, which are combined with the PE melt during air processing to increase the effective surface area of the melt and improve the oxygen-driven chemistry that stabilizes PE for high-temperature processing. After removal of the solid salt additives from the PE-derived char, it is converted into a highly crystalline bulk graphite powder using an Fe-based catalytic process. The PE-derived graphite anode in a lithium-ion coin cell showed a specific capacity of 345 mAh/g at 0.05C with an initial Coulombic efficiency of 87% and reversible capacity retention of ∼100% at different current rates. It also showed a specific capacity of up to 313 mAh/g at 0.5 discharge/charge cycles per hour (0.5C) and Coulombic efficiency of 99.9% after 250 cycles, indicating excellent electrochemical performance as an anode material for lithium-ion batteries. This method illustrates that there are opportunities for upcycling large quantities of PE waste to produce graphite powders suitable for use in LIBs.</p><p >This study outlines a simple processing approach for utilizing polyethylene waste to prepare highly crystalline graphite that can be used for lithium-ion battery anodes.</p>","PeriodicalId":100015,"journal":{"name":"ACS Sustainable Resource Management","volume":"2 1","pages":"146–156 146–156"},"PeriodicalIF":0.0,"publicationDate":"2024-12-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acssusresmgt.4c00398","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143086842","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Equilibrium Studies of Biodiesel Ethyl Esters Prepared with a Potassium Glyceroxide Catalyst","authors":"Kyle McGuff,&nbsp;Dave Bradley,&nbsp;Minliang Yang and Aaron M. Socha*,&nbsp;","doi":"10.1021/acssusresmgt.4c0035110.1021/acssusresmgt.4c00351","DOIUrl":"https://doi.org/10.1021/acssusresmgt.4c00351https://doi.org/10.1021/acssusresmgt.4c00351","url":null,"abstract":"<p >Biodiesel fuel is produced by the transesterification of triacylglycerides to alkyl esters using short chain alcohols, whereby ethanol represents a safe, sustainable substitute for methanol. Due to the inherent solubility of the resulting fatty acid ethyl esters (FAEE) in residual ethanol solvent, efficient phase separation of the postreaction mixture requires near anhydrous initial conditions. A recyclable catalytic system of 1:1 potassium glyceroxide:glycerol allowed for direct comparison of liquid–liquid phase equilibria between ethanol and methanol transesterification reaction experiments with increasing water content. A maximum water tolerance of 1.06 mol water:1 mol catalyst was observed for the ethanolysis reactions, representing a minimum of 4.6-fold greater anhydrous stringency as compared to methanolysis reactions. These results are supported by equilibrium calculations comparing methoxide, ethoxide, and glyceroxide concentrations at 0%, 80%, and 99% reaction completion. The catalyst system was applied to virgin soybean and recycled canola oils, and mass balances, including distilled product yields, are presented. Additionally, life cycle assessment revealed that biodiesel made from biobased ethanol and potassium glyceroxide resulted in approximately 20% reduction of greenhouse gases as compared to soybean methyl esters produced from sodium methoxide.</p>","PeriodicalId":100015,"journal":{"name":"ACS Sustainable Resource Management","volume":"2 1","pages":"89–97 89–97"},"PeriodicalIF":0.0,"publicationDate":"2024-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143086358","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhanced Pyrolysis of Low to Medium Maturity Oil Shale with Lanthanide and Nitrogen Co-doped Carbon Quantum Dot Catalysts: Mechanistic Insights and Kinetic Implications","authors":"Li Wang,&nbsp;Ruiying Xiong,&nbsp;Jixiang Guo*,&nbsp;Chi Li,&nbsp;Xiangwei Chen,&nbsp;Wenlong Zhang and Chenhao Gao,&nbsp;","doi":"10.1021/acssusresmgt.4c0039710.1021/acssusresmgt.4c00397","DOIUrl":"https://doi.org/10.1021/acssusresmgt.4c00397https://doi.org/10.1021/acssusresmgt.4c00397","url":null,"abstract":"<p >China’s abundant shale resources include a substantial proportion of low to medium maturity shales, which present significant extraction challenges due to high heating costs, slow pyrolysis rates, and low catalytic efficiencies. To address these issues, this study synthesizes a series of Ln-N/CQDs through a combustion method, including La/N-CQDs, Ce/N-CQDs, and Pr/N-CQDs. Kinetic analysis indicates that the addition of these catalysts reduces the average apparent activation energy required for oil shale pyrolysis. The activation energy decreases from 207.01 kJ/mol to 147.33, 172.78, and 144.94 kJ/mol, respectively. This reduction significantly enhances the pyrolytic capabilities of the organic matter within the shale. Employing molecular dynamics simulation and DFT calculations, the study investigates the impact of Ln-N/CQDs on the pyrolysis behavior of organic matter in oil shales and elucidates the catalytic mechanism. The research finds that electronic perturbations from lanthanide and adjacent heteroatom sites (C and N) alter electronic distribution, inducing charge redistribution. This facilitates efficient electron transfer from the catalyst to the reactive sites of organic molecules in the shale, forming reactive intermediates such as carbon cations. This process significantly lowers reaction barriers, alters pathways, and enhances catalytic efficiency. Overall, this study provides new insights and methodologies to improve the utilization efficiency of low to medium maturity oil shales, paving the way for the development of more effective extraction technologies.</p>","PeriodicalId":100015,"journal":{"name":"ACS Sustainable Resource Management","volume":"2 1","pages":"135–145 135–145"},"PeriodicalIF":0.0,"publicationDate":"2024-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143086352","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}