Journal of Analytical and Applied Pyrolysis最新文献_第10页

Pyrolysis behavior of silicone aerogels with different side groups through experimental and ReaxFF MD 通过实验和ReaxFF MD研究不同侧基硅酮气凝胶的热解行为

IF 5.8 2区化学 Q1 CHEMISTRY, ANALYTICAL

Journal of Analytical and Applied Pyrolysis

Pub Date : 2025-02-17 DOI: 10.1016/j.jaap.2025.107038

Mingming Wu , Tianyu Wu , Yi Luo , Mingjun Xu , Bo Niu , Yue Xing , Yayun Zhang , Donghui Long

Silicone materials, widely used as ablation thermal protection materials, have complex degradation mechanisms at ultra-high temperatures that remain poorly understood. In this work, we investigate the pyrolysis behavior of silicone aerogels through experiments and ReaxFF molecular dynamics (ReaxFF MD) simulations, revealing the impact of silicone side groups on their high-temperature stability. The introduction of methyl, vinyl, and phenyl groups through modifying the crosslinker side chains in aerogels, due to their steric hindrance effects and higher bond energies, inhibits the occurrence of cleavage reactions, thereby improving the thermal stability of the material and providing a basis for material design. We obtained kinetic parameters of the pyrolysis process, including activation energy, pre-exponential factor, and reaction mechanism functions, through thermogravimetric analysis, thereby establishing an accurate and reliable decomposition kinetics model. Fast pyrolysis experiments, alongside ReaxFF MD simulations, systematically elucidated the pathways for forming of gaseous, liquid, and solid products during thermal decomposition. Pyrolysis is primarily triggered by the cleavage of Si-C bonds, leading to the cyclization of the Si-O-Si main chain to form cyclic siloxanes. The cleavage of small molecules undergoes a rearrangement reaction, ultimately resulting in the formation of amorphous silica. This study enhances our understanding of the pyrolysis mechanisms of silicone aerogels and provides theoretical insights for improving their thermal stability.

有机硅材料被广泛用作烧蚀热保护材料，但其在超高温下的复杂降解机理仍鲜为人知。在这项工作中，我们通过实验和 ReaxFF 分子动力学（ReaxFF MD）模拟研究了有机硅气凝胶的热解行为，揭示了有机硅侧基对其高温稳定性的影响。通过改变气凝胶中的交联剂侧链引入甲基、乙烯基和苯基基团，由于其立体阻碍效应和较高的键能，可抑制裂解反应的发生，从而提高材料的热稳定性，为材料设计提供依据。我们通过热重分析获得了热解过程的动力学参数，包括活化能、预指数因子和反应机理函数，从而建立了准确可靠的分解动力学模型。快速热解实验和 ReaxFF MD 模拟系统地阐明了热分解过程中形成气态、液态和固态产物的途径。热分解主要由 Si-C 键的裂解引发，导致 Si-O-Si 主链环化，形成环状硅氧烷。小分子的裂解会发生重排反应，最终形成无定形二氧化硅。这项研究加深了我们对有机硅气凝胶热解机理的理解，并为提高其热稳定性提供了理论依据。

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引用次数: 0

Predictive modeling of product yields in microwave-assisted co-pyrolysis of biomass and plastic with enhanced interpretability using explainable AI approaches 使用可解释的人工智能方法对微波辅助生物质和塑料共热解的产品产量进行预测建模，并增强可解释性

IF 5.8 2区化学 Q1 CHEMISTRY, ANALYTICAL

Journal of Analytical and Applied Pyrolysis

Pub Date : 2025-02-15 DOI: 10.1016/j.jaap.2025.107021

Nilesh S. Rajpurohit, Parth K. Kamani, Maheswata Lenka, Chinta Sankar Rao

Microwave-assisted co-pyrolysis of biomass and plastic offers a transformative approach to converting waste into valuable resources such as bio-oil, biochar, and biogas, while simultaneously addressing critical environmental challenges associated with plastic disposal. This research employs explainable AI methodologies to enhance the prediction and analysis of product yields in biomass-plastic co-pyrolysis. Advanced machine learning techniques, including Decision Tree, Random Forest, Extreme Gradient Boosting (XGBoost), and Artificial Neural Networks, were utilized to model yield predictions effectively. The models were fine-tuned through hyper-parameter optimization, achieving high accuracy levels. The study emphasizes the scientific importance of integrating explainable AI with pyrolysis processes to optimize waste-to-resource recovery, contributing significantly to sustainable waste management and circular economy initiatives. Among these, the XGBoost model demonstrated superior performance, achieving R² values of 0.91 for biochar yield, 0.92 for bio-oil yield, and 0.82 for biogas yield on testing sets. To enhance model interpretability, SHapley Additive exPlanations (SHAP) and Partial Dependence Plots (PDPs) were utilized to assess feature importance and examine parameter influences on yield outcomes, offering valuable insights into process optimization and control. Volatile matter and fixed carbon were key predictors for biochar yield, while moisture content and pyrolysis temperature were significant for predicting bio-oil and biogas yields. This study highlights the potential of explainable AI models in advancing sustainable and efficient bio-product recovery from waste materials.

微波辅助生物质和塑料的共热解提供了一种变革性的方法，将废物转化为有价值的资源，如生物油、生物炭和沼气，同时解决了与塑料处理相关的关键环境挑战。本研究采用可解释的人工智能方法来增强对生物质-塑料共热解产物产量的预测和分析。先进的机器学习技术，包括决策树、随机森林、极端梯度增强（XGBoost）和人工神经网络，被用来有效地建模产量预测。通过超参数优化对模型进行微调，达到较高的精度水平。该研究强调了将可解释的人工智能与热解过程相结合的科学重要性，以优化废物到资源的回收，为可持续废物管理和循环经济举措做出重大贡献。其中，XGBoost模型表现出较好的性能，在测试集上，生物炭产率的R²值为0.91，生物油产率为0.92，沼气产率为0.82。为了提高模型的可解释性，利用SHapley加性解释（SHAP）和部分依赖图（pdp）来评估特征的重要性，并检查参数对产量结果的影响，为工艺优化和控制提供有价值的见解。挥发分和固定碳是生物炭产量的关键预测因子，而水分含量和热解温度是生物油和生物气产量的重要预测因子。这项研究强调了可解释的人工智能模型在促进废物可持续和高效的生物产品回收方面的潜力。

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引用次数: 0

Advancements in modeling and simulation of biomass pyrolysis: A comprehensive review 生物质热解建模与模拟研究进展综述

IF 5.8 2区化学 Q1 CHEMISTRY, ANALYTICAL

Journal of Analytical and Applied Pyrolysis

Pub Date : 2025-02-14 DOI: 10.1016/j.jaap.2025.107030

Sowkhya Naidu , Harsh Pandey , Alberto Passalacqua , Samreen Hameed , Jyeshtharaj Joshi , Abhishek Sharma

Pyrolysis, a thermal decomposition process for converting organic materials into valuable products such as bio-oil, biochar, and syngas, has garnered significant interest due to its potential for sustainable energy production and waste management. This review comprehensively evaluates advancements in modeling and simulation techniques for pyrolysis, emphasizing their application across different scales, from laboratory to industrial settings. The paper examines various modeling approaches, including kinetic models, computational fluid dynamics (CFD), and multi-scale frameworks, to elucidate the intricate phenomena of heat and mass transfer, reaction kinetics, and product formation. Recent developments in multi-particle and reactor-scale modeling are highlighted for their role in optimizing reactor designs, improving energy efficiency, and scaling up pyrolysis processes. Additionally, the review explores integrating experimental data and machine learning tools for refining predictions and enhancing operational parameters. This work provides valuable insights into state-of-the-art modeling techniques, offering a roadmap for advancing pyrolysis technology to meet energy and sustainability goals.

热解是一种将有机材料转化为生物油、生物炭和合成气等有价值产品的热分解过程，由于其在可持续能源生产和废物管理方面的潜力，已经引起了人们的极大兴趣。这篇综述全面评估了热解建模和模拟技术的进展，强调了它们在不同规模上的应用，从实验室到工业环境。本文探讨了各种建模方法，包括动力学模型、计算流体动力学（CFD）和多尺度框架，以阐明传热传质、反应动力学和产物形成的复杂现象。多粒子和反应器尺度模型的最新发展突出了它们在优化反应器设计，提高能源效率和扩大热解过程中的作用。此外，该综述探讨了整合实验数据和机器学习工具，以改进预测和增强操作参数。这项工作为最先进的建模技术提供了有价值的见解，为推进热解技术以满足能源和可持续性目标提供了路线图。

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引用次数: 0

Pyrolysis of large biomass particles: Model validation and application to coffee husks valorization 大型生物质颗粒的热解：模型验证及其在咖啡壳增值中的应用

IF 5.8 2区化学 Q1 CHEMISTRY, ANALYTICAL

Journal of Analytical and Applied Pyrolysis

Pub Date : 2025-02-14 DOI: 10.1016/j.jaap.2025.107028

Million M. Afessa , Andrea Locaspi , Paulo Debiagi , Alessio Frassoldati , Riccardo Caraccio , A. Venkata Ramayya , Tiziano Faravelli

Coffee husk is a valuable source of energy in Ethiopia. Pyrolysis of thermally thick biomass particles plays a crucial role across several industrial applications. Despite its significance, the enthalpy changes associated with volatile species release and residual biochar formation during the process are often overlooked. Predictive models for the pyrolysis of large particles and designing a new generation of pyrolyzers are crucial, particularly for industrial-scale applications. Thus, this work introduces a comprehensive one-dimensional (1D) model, BioSMOKE1D, to capture the intricacies of pyrolysis in thick biomass particles and aid in designing optimized pyrolyzers. The model integrates a solid-phase kinetic mechanism, transport limitations, and secondary gas-phase tar-cracking reactions. The BioSMOKE1D has been thoroughly validated and exhibits impressive predictive accuracy by replicating various experiments on large biomass particles. The model successfully reproduces temperature measurements, mass loss profiles, and speciation data at lower temperature measurements. However, incorporating gas-phase mechanisms and secondary tar-cracking reactions has achieved better accuracy at higher temperatures (above 650 °C). Unfortunately, to the authors’ knowledge, no experimental data is available for the pyrolysis of large coffee husk particles. Therefore, several parametric analyses are performed to determine the effect of model parameters on the pyrolysis yields for pelletized coffee husks. The findings indicate that biomass particle size, temperature, and initial moisture content significantly affect conversion time, energy consumption, pyrolysis product yields, and species distributions. Larger biomass particle sizes correspond to slower conversion rates and increased energy consumption. This modeling tool holds promises for optimizing the utilization of coffee husks as a renewable energy source, mitigating agricultural waste, and boosting economic growth. Furthermore, the insights from this study provide valuable inputs for optimizing pyrolysis processes in industrial-scale applications of these resources.

在埃塞俄比亚，咖啡壳是一种宝贵的能源。热解热厚生物质颗粒在多个工业应用中发挥着至关重要的作用。尽管意义重大，但在这一过程中，与挥发性物质释放和残留生物炭形成相关的焓变往往被忽视。大颗粒热解的预测模型和新一代热解器的设计至关重要，尤其是在工业规模的应用中。因此，这项工作引入了一个全面的一维（1D）模型 BioSMOKE1D，以捕捉厚生物质颗粒热解的复杂性，并帮助设计优化的热解器。该模型集成了固相动力学机制、传输限制和二级气相焦油裂解反应。BioSMOKE1D 已通过全面验证，并通过复制各种大型生物质颗粒实验显示出令人印象深刻的预测准确性。该模型成功地再现了温度测量结果、质量损失曲线以及较低温度测量时的标示数据。然而，将气相机制和焦油二次裂解反应纳入模型后，在较高温度（650 ℃ 以上）下可获得更好的准确性。遗憾的是，据作者所知，目前还没有大颗粒咖啡壳热解的实验数据。因此，作者进行了多项参数分析，以确定模型参数对颗粒咖啡壳热解产率的影响。研究结果表明，生物质颗粒大小、温度和初始含水量会对转化时间、能耗、热解产物产量和物种分布产生重大影响。生物质颗粒尺寸越大，转化率越慢，能耗越高。这一建模工具有望优化咖啡壳作为可再生能源的利用，减少农业废弃物，促进经济增长。此外，这项研究的见解还为这些资源在工业规模应用中优化热解过程提供了宝贵的意见。

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引用次数: 0

Thermal decomposition behavior of self-catalyzed and fire-retardant phosphorus-nitrogen Vitrimer material 自催化阻燃磷氮玻璃体材料的热分解行为

IF 5.8 2区化学 Q1 CHEMISTRY, ANALYTICAL

Journal of Analytical and Applied Pyrolysis

Pub Date : 2025-02-13 DOI: 10.1016/j.jaap.2025.107029

Ruei-Jing Chu , Hsu-I. Mao , Chin-Wen Chen

Epoxy resin (EP) encountered dual challenges of flammability and non-recyclability, prompting the proposal of covalent adaptable networks to enhance its sustainability. However, achieving strong flame-retardant performance remained a significant hurdle. In this study, diglycidyl ether of bisphenol A (DGEBA), DOPO derivatives (DDP), glutamic acid (GA), and itaconic acid (IA) were employed as raw materials to synthesize a phosphorus-nitrogen synergistic flame-retardant covalent adaptable network epoxy resin. This synthesis, which involved the introduction of secondary amines and self-catalysis, resulted in a novel material with excellent thermal stability at 349 ℃, and superior flame-retardant properties, including a limiting oxygen index of 32 % and a V-0 flammability rating. Comprehensive analysis of the material's thermal decomposition and gas-phase products was conducted using techniques such as residual carbon morphology and structure, TGA-FTIR, and TGA-GC/MS, providing deeper insights into the thermal decomposition mechanism of the material.

环氧树脂（EP）面临着可燃性和不可回收性的双重挑战，促使人们提出共价适应性网络来增强其可持续性。然而，实现强大的阻燃性能仍然是一个重大障碍。本研究以双酚A二缩水甘油酯（DGEBA）、DOPO衍生物（DDP）、谷氨酸（GA）、衣康酸（IA）为原料，合成了磷氮协同阻燃共价自适应网状环氧树脂。该合成过程引入了仲胺和自催化，得到了一种新型材料，在349℃时具有优异的热稳定性，阻燃性能优异，包括极限氧指数为32 %，可燃性等级为V-0。利用残碳形貌与结构、热重-红外光谱、热重-气相色谱/质谱等技术对材料热分解和气相产物进行综合分析，对材料热分解机理有了更深入的了解。

引用次数: 0

Evolution of organic matter and hydrocarbon-generating characteristics of sapropelic humic coal and humosapropelic in open systems 开放体系腐殖质煤与腐殖质煤有机质演化及生烃特征

IF 5.8 2区化学 Q1 CHEMISTRY, ANALYTICAL

Journal of Analytical and Applied Pyrolysis

Pub Date : 2025-02-12 DOI: 10.1016/j.jaap.2025.107026

Daming Niu , Pingchang Sun , Yang Wang , Hongliang Dang , Zhisheng Luan , Yueyue Bai

During their maturation, immature coals with different organic matter (OM) types exhibit differences in their hydrocarbon-generating evolution processes. However, these differences and the impact of residual hydrocarbons on the hydrocarbon-generating potential of coal have rarely been studied. Sapropelic humic coal and humosapropelic coal were selected for the thermal simulation experiments in this study, and extractable organic matter (EOM) was obtained. The hydrocarbon generation and expulsion potential of sapropelic humic coal and humosapropelic coal were quantitatively determined through total organic carbon (TOC) measurements, Rock-Eval pyrolysis and other experiments. We found that the carbon accumulation effect of coal influences changes in TOC during the thermal evolution process. An open hydrocarbon expulsion environment revealed that humosapropelic coal was prone to generating oil, whereas sapropelic humic coal produced both oil and gas. We believe that the residual bitumen in coal is the source of coalbed methane in highly mature to overmature coal stages, and we preliminarily determined that the optimal temperature for coal hydrocarbon generation under rapid heating is 475 °C.

不同有机质类型的未熟煤在成熟过程中，其生烃演化过程存在差异。然而，这些差异以及残余烃对煤生烃潜力的影响却鲜有研究。本研究选取腐泥腐殖质煤和腐泥腐殖质煤进行热模拟实验，获得可萃取有机质（EOM）。通过总有机碳（TOC）测定、Rock-Eval热解等实验，定量测定腐泥腐殖质煤和腐泥腐殖质煤的生排烃潜力。在热演化过程中，煤的碳富集效应影响了TOC的变化。开放排烃环境表明腐腐泥煤容易生油，腐腐泥腐殖质煤既产油又产气。我们认为煤中残余沥青是煤高成熟至过成熟阶段煤层气的来源，初步确定煤在快速加热条件下的最佳生烃温度为475 ℃。

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引用次数: 0

An efficient and universally applicable oxygen activation strategy for carbon materials derived from various biomass: Enhancing the electrocatalytic performance for oxygen reduction reaction 一种高效且普遍适用于各种生物质碳材料的氧活化策略：提高氧还原反应的电催化性能

IF 5.8 2区化学 Q1 CHEMISTRY, ANALYTICAL

Journal of Analytical and Applied Pyrolysis

Pub Date : 2025-02-12 DOI: 10.1016/j.jaap.2025.107024

Qinghai Lu , Yu Liang , Honggang Fan , Haoran Yuan , Weidong Liu , Xiaoyue Zhou , Jing Gu , Gaixiu Yang

Biomass has been considered as the ideal precursor for the preparation of carbon-based material due to its advantages of abundant reserves and low price. However, the microstructure fine-tuning of the obtained carbon material remains challenging. In this study, an elaborate universal method was developed via oxygen activation, which can not only modify the surface composition but also can promote the formation of hierarchical structure. The wide applicability of this method has also been confirmed by various biomass precursors (corn stalks, cotton stalks, elephant grass and distiller's grains). Besides, the oxygen reduction reaction (ORR) catalytic performance of the fabricated catalysts was measured over a wide pH range, which was significantly improved in contrast to that of without activation, confirming the high efficiency of this method. During the pyrolysis process, the limited oxygen-etching will promote the formation of pore structure and local graphitization degree due to the reaction between oxygen and carbon, which will generate carbon dioxide and carbon monoxide and release heat energy, thus, the ORR performance will be enhanced. The onset potentials (E_onset) of oxygen activated C₅-CS, C₅-MG, C₅-EG and C₅-DG were increased by 0.25, 0.31, 0.26 and 0.37 V, and the diffusion-limiting current densities (j_l) were increased by 2.36, 1.40, 2.50 and 3.48 mA cm⁻², respectively, compared to those of the non-activated carbons under neutral conditions. This study provides a new strategy for the preparation of cost-effective ORR catalysts with wide applicability.

生物质因其储量丰富、价格低廉的优点，一直被认为是制备碳基材料的理想前驱体。然而，获得的碳材料的微观结构微调仍然具有挑战性。在本研究中，开发了一种精细的通用方法，即通过氧活化，不仅可以改变表面组成，还可以促进分层结构的形成。各种生物质前体（玉米秸秆、棉花秸秆、象草和酒糟）也证实了该方法的广泛适用性。此外，在较宽的pH范围内测试了制备的催化剂的氧还原反应（ORR）催化性能，与未活化时相比有明显提高，证实了该方法的高效率。在热解过程中，由于氧与碳的反应，有限的氧蚀刻会促进孔隙结构的形成和局部石墨化程度，生成二氧化碳和一氧化碳并释放热能，从而提高ORR性能。在中性条件下，氧活化C5-CS、C5-MG、C5-EG和C5-DG的起始电位（Eonset）比未活化的C5-CS、C5-MG、C5-EG和C5-DG分别提高了0.25、0.31、0.26和0.37 V，扩散限制电流密度（jl）分别提高了2.36、1.40、2.50和3.48 mA cm−2。本研究为制备高性价比、适用性广的ORR催化剂提供了新思路。

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引用次数: 0

Boric acid modified MOF-derived Ni@C/Al2O3-xB catalysts boosting the hydrodeoxygenation of guaiacol and raw bio-oil 硼酸改性mof衍生Ni@C/Al2O3-xB催化剂促进愈创木酚和原料生物油的加氢脱氧

IF 5.8 2区化学 Q1 CHEMISTRY, ANALYTICAL

Journal of Analytical and Applied Pyrolysis

Pub Date : 2025-02-12 DOI: 10.1016/j.jaap.2025.107025

Shuai Wang, Tairui Xue, Yanxiu Liu, Feng Li, Yanguang Chen, Bolong Jiang, Hua Song

Catalytic hydrodeoxygenation (HDO) of lignin-derived phenolic compounds into valuable hydrocarbons is of great significance but remains a challenge. Herein, a series of B modified Ni@C/Al₂O₃-B catalysts were prepared via one-pot solvothermal method followed by direct pyrolysis of Ni-MOF-74/Al₂O₃-B under N₂ atmosphere. The effect of dopant B on structure and acidity of the prepared catalysts were studied by multitechniques. It is found the increase in B content increased the specific area and strengthened the acidity of the catalysts, thus contributing to the improved HDO activity. Ni@C/Al₂O₃-3B catalyst with a B content of 3 mmol exhibited the best HDO activity, guaiacol was completely converted with 91.7 % cyclohexane selectivity at 275 ℃, 3 MPa, 2 h. And anisole was completely converted with 94.5 % cyclohexane selectivity at 275 ℃, 2 MPa, 1 h. Ni@C/Al₂O₃-3B catalyst also catalyst displayed excellent HDO performance for real bio-oil. This work can provide technical guidance for designing highly active non-precious catalysts applied in HDO process of lignin into green fuel and value-added chemicals.

木质素衍生的酚类化合物催化加氢脱氧（HDO）为有价值的碳氢化合物具有重要意义，但仍然是一个挑战。本文采用一锅溶剂热法，将Ni-MOF-74/Al2O3-B在N2气氛下直接热解，制备了一系列B改性Ni@C/Al2O3-B催化剂。采用多种技术研究了掺杂剂B对所制催化剂结构和酸度的影响。结果表明，B含量的增加增加了催化剂的比面积，增强了催化剂的酸性，从而提高了HDO活性。B含量为3 mmol的Ni@C/Al2O3-3B催化剂表现出最佳的HDO活性，在275℃、3 MPa、2 h条件下，愈创木酚的环己烷选择性为91.7 %。在275℃，2 MPa， 1 h条件下，苯甲醚的环己烷选择性为94.5 %。Ni@C/Al2O3-3B催化剂对真实生物油也表现出优异的HDO性能。该工作可为设计用于木质素HDO制绿色燃料和高附加值化学品的高活性非贵重催化剂提供技术指导。

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引用次数: 0

Intramolecular isotopic distributions of associated propane in shale oil determined by an improved GC-Pyrolysis-GC-IRMS approach: Insights into influence of kerogen structures on enrichment of hydrocarbon deposits 改进气相色谱-热解-气相色谱- irms法测定页岩油伴生丙烷分子内同位素分布：干酪根结构对油气富集的影响

IF 5.8 2区化学 Q1 CHEMISTRY, ANALYTICAL

Journal of Analytical and Applied Pyrolysis

Pub Date : 2025-02-11 DOI: 10.1016/j.jaap.2025.107023

Ruiliang Guo , Xinping Zhou , Xiaolan Lei , Sihong Liu , Junlin Chen , Peng Liu

The intramolecular isotopic compositions of associated propane in shale oil from the Chang-7 sub-member of the Yanchang Formation in the Ordos Basin were firstly determined by an improved GC-Pyrolysis-GC-IRMS method, which was calibrated by the quantitative isotopic ¹³C NMR method. The results show that the Δ_C-T values (δ¹³C_Central-δ¹³C_terminal) of associated C₃ are ranging from 1.3 ‰ to 2.9 ‰, the δ¹³C_Central values range from −34.2 ‰ to −31.8 ‰, while the δ¹³C_terminal values vary between −35.6 ‰ and −34.9 ‰. The molecular carbon isotopes of propane suggest that the associated gas originates from the sapropelic organic matter (OM) at the early maturation stage, while the intramolecular carbon isotopic compositions of associated C₃ indicate that the associated propane is dominated by n-propyl reaction pathway with contribution more than 75 %. The intramolecular isotopic compositions of C₃ derived from typical humic and sapropelic OM shows that the compositions of normal and isomeric groups within the kerogen structures could influence the chemical compositions in generated hydrocarbons. OM with high proportion of normal groups prefers to generate liquid hydrocarbons, while OM with high proportion of isomeric groups tends to generate gaseous hydrocarbons at the same maturation stage. This study demonstrates that the intramolecular isotopic composition of associated C₃ in shale oil can reflect the chemical structure of kerogen of source rock, and may further assess the shale oil potential.

采用改进的气相色谱-热解-气相色谱- irms法测定了鄂尔多斯盆地延长组长7亚段页岩油伴生丙烷的分子内同位素组成，并用定量同位素13C NMR方法进行了标定。结果表明：伴生C3 δ13CCentral-δ13Cterminal的ΔC-T值范围为1.3 ‰~ 2.9 ‰，δ13CCentral值范围为−34.2 ‰~−31.8 ‰，δ13Cterminal值范围为−35.6 ‰~−34.9 ‰。丙烷的分子碳同位素表明伴生气体来源于腐泥有机质（OM）的早期成熟阶段，而伴生C3的分子内碳同位素组成表明伴生丙烷主要以正丙基反应途径为主，贡献大于75% %。典型腐殖质和腐泥质有机质中C3的分子内同位素组成表明，干酪根结构内正异构体和同分异构体的组成会影响生成烃的化学组成。正规基比例高的OM倾向于生成液态烃，异构基比例高的OM在同一成熟阶段倾向于生成气态烃。研究表明，页岩油中伴生C3的分子内同位素组成能够反映烃源岩干酪根的化学结构，可进一步评价页岩油潜力。

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引用次数: 0

Sustainable approach of modified biochar based adsorbents towards enhanced phosphorus removal from wastewater 改性生物炭基吸附剂增强废水除磷的可持续途径

IF 5.8 2区化学 Q1 CHEMISTRY, ANALYTICAL

Journal of Analytical and Applied Pyrolysis

Pub Date : 2025-02-11 DOI: 10.1016/j.jaap.2025.107020

S. Mari Selvam , Bunushree Behera , Arju Chauhan , Ananya Madaan , Ricky Rajamanickam , K. Akshaya , Rangabhashiyam Selvasembian

Increasing dependence on non-renewable phosphate rocks has led towards search for new alternative methodologies for recovering it from waste reserves. Natural adsorbents from carbonaceous-rich biochar have gained attention for nutrient recovery and utilization due to their distinctive surface properties and reusability. However, often native biochar lacks appropriate functional groups or porous properties for efficient phosphorus adsorption which emphasizes the need to revisit research field to identify lacunae. Thus, an initial systematic scientometric analysis was conducted to evaluate research gaps, recent advancements, and hot spots associated with biochar-based phosphorus (P) adsorption. Boolean logic model was utilized to retrieve 1694 documents for the period 2011–2023 from web-of-science database. A rapid surge in publications was evident from 2017 onwards. China (61.7 %), USA (15.76 %), South Korea (5.88%), Australia (5.0 %), and India (4.82 %) are the top countries contributing to research domain. Major research hotspots were found to be different activation strategies for performance enhancement, interpretation of complex mechanisms using analytical techniques, and real-time end applications in water and soil. The present review also comprehensively summarizes the effects of biochar production/ modification and adsorption parameters on the P-adsorption efficiency. The underlying mechanisms include ligand/ion exchange, electrostatic interaction, surface precipitation, surface complexation. P-adsorption using biochar mostly follows Langmuir isotherm model suggesting the monolayer chemical process. Assessment of optimization parameters on adsorption process, and underlying environmental and economic impacts of biochar-based adsorbents need to be focussed. Overall, comprehensive summary delineates practicality of scaling-up biochar-based P-adsorption processes to achieve sustainable development goals (SDGs) combined with circular bio-economy perspectives.

对不可再生磷酸盐岩的依赖与日俱增，促使人们寻找新的替代方法，从废物储备中回收磷酸盐。富含碳质的生物炭天然吸附剂因其独特的表面特性和可重复使用性，在养分回收和利用方面备受关注。然而，本地生物炭往往缺乏适当的功能基团或多孔特性，无法有效吸附磷，这就需要重新审视研究领域，找出空白点。因此，我们进行了初步的系统科学计量分析，以评估与生物炭基磷吸附相关的研究空白、最新进展和热点。利用布尔逻辑模型从科学网数据库中检索了 2011-2023 年间的 1694 篇文献。从 2017 年开始，论文数量迅速激增。中国（61.7%）、美国（15.76%）、韩国（5.88%）、澳大利亚（5.0%）和印度（4.82%）是对研究领域贡献最大的国家。研究发现，主要的研究热点是提高性能的不同活化策略、利用分析技术解释复杂机制以及水和土壤中的实时终端应用。本综述还全面总结了生物炭生产/改性和吸附参数对 P 吸附效率的影响。其基本机制包括配体/离子交换、静电作用、表面沉淀、表面络合。生物炭对 P 的吸附大多遵循 Langmuir 等温线模型，表明是单层化学过程。需要重点评估吸附过程的优化参数，以及生物炭吸附剂对环境和经济的潜在影响。总之，全面总结描述了扩大基于生物炭的 P 吸附过程的实用性，以实现可持续发展目标（SDGs）和循环生物经济观点。

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