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Silver-Doped Mesoporous Spinel NiCo2O4 Nanorods as Advanced Electrodes for Supercapacitors: From Material Design to Device-Scale Evaluation 银掺杂介孔尖晶石NiCo2O4纳米棒作为超级电容器的先进电极:从材料设计到器件规模评估
Pub Date : 2025-09-04 DOI: 10.1002/est2.70266
Nagarajan Dhashnamoorthy, Balaji Nandhakumar, A. V. Radhamani

This study explores the hydrothermal synthesis of NiCo2O4 and Ag-doped NiCo2O4 (AgxNi1−xCo2O4, x = 0.0–0.5) electrodes as cost-effective materials for supercapacitor applications. Electrochemical analysis of all fabricated materials was conducted using a half-cell configuration, with measurements performed at various scan rates. As Ag concentration increased (for x ≤ 0.4), the specific capacitance also increased, reaching a maximum performance of 1501 F g−1 for x = 0.4. This represents a 2.5-fold increase compared to its pristine counterpart. However, the specific capacitance value decreased by 21% when the Ag concentration was raised from x = 0.4 to x = 0.5. Performance decline is linked to the increment of pore size (20%) and the decrement in surface area (12%) in sample x = 0.5 compared to x = 0.4, as confirmed by BET analysis. Cyclic studies over 5000 cycles demonstrated retention capacities of 94% for x = 0 and 106% for x = 0.4. The x = 0.4 sample outperformed others, exhibiting the lowest solution-resistance (Rs = 0.5 Ω) and charge transfer resistance (Rct = 0.9 Ω). The sample with the best performance, x = 0.4, has been chosen for fabrication of a 2-electrode system in both symmetric and asymmetric designs to evaluate device-level performance. The symmetric supercapacitor (SSC) showed specific capacitance of approximately 252 F g−1 at current density of 1 A g−1, maintaining 93.5% of its initial capacitance after 5000 cycles at 10 A g−1. It delivered an energy density of 42 W h kg−1 at a power density of 549 W kg−1. Meanwhile, the asymmetric supercapacitor showed specific capacitance (178 F g−1 at 1 A g−1), and retaining 105% capacitance after 5000 cycles at 10 A g−1, with energy and power densities of 67 W h kg−1, 853 W kg−1, respectively. The findings from various characterization techniques are thoroughly analyzed to draw the structure–property–performance correlations and presented in detail.

本研究探索了水热合成NiCo2O4和ag掺杂NiCo2O4 (AgxNi1−xCo2O4, x = 0.0-0.5)电极作为超级电容器应用的经济高效材料。所有制造材料的电化学分析都是使用半电池配置进行的,并在不同的扫描速率下进行测量。随着Ag浓度的增加(x≤0.4),比电容也随之增加,当x = 0.4时,比电容达到1501 F g−1的最大性能。这与原始版本相比增加了2.5倍。当Ag浓度从x = 0.4提高到x = 0.5时,比电容值下降了21%。BET分析证实,与x = 0.4相比,x = 0.5样品的孔径增加(20%)和表面积减少(12%)与性能下降有关。超过5000个循环的循环研究表明,x = 0时保留率为94%,x = 0.4时保留率为106%。x = 0.4样品优于其他样品,表现出最低的溶液电阻(Rs = 0.5 Ω)和电荷转移电阻(Rct = 0.9 Ω)。选择了性能最好的样品x = 0.4,用于对称和非对称设计的双电极系统的制造,以评估器件级性能。对称超级电容器(SSC)在1 A g−1电流密度下的比电容约为252 F g−1,在10 A g−1电流密度下循环5000次后保持其初始电容的93.5%。功率密度为549 W kg - 1,能量密度为42 W h kg - 1。与此同时,非对称超级电容器在1 A g−1下的比电容为178 F g−1,在10 A g−1下循环5000次后,能量和功率密度分别为67 W h kg−1和853 W kg−1,电容保持在105%。从各种表征技术的研究结果进行了彻底的分析,以绘制结构-性能-性能的相关性,并详细介绍。
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引用次数: 0
Hydrogen Storage Performance of Sunflower Stalk-Derived Activated Carbons Produced via ZnCl2 and KOH Activation ZnCl2和KOH活化法制备向日葵茎源活性炭的储氢性能
Pub Date : 2025-08-30 DOI: 10.1002/est2.70260
Pınar Turan Beyli, Mehmet Doğan, Zeynep Bicil, Yasemin Turhan, Ersin Yanmaz, Berna Koçer Kizilduman

In this study, the hydrogen storage capacities of activated carbons derived from sunflower stalk wastes were enhanced by initial chemical activation using different activating agents (ZnCl2 or KOH) at biomass ratios of 1:1, 2:1, and 3:1 (w/w), followed by carbonization at varying temperatures (600°C, 700°C, 800°C, and 900°C) based on their surface area performance. The optimization and characterization of the prepared samples were systematically conducted using BET, FTIR, DTA/TG, and SEM/EDX techniques. SEM/EDX analysis revealed a marked increase in porosity and notable alterations in the elemental composition of the activated carbon surfaces as a function of the activating agent and carbonization temperature. Hydrogen storage capacities of the optimized samples were measured as a function of pressure at both room and cryogenic temperatures. As a result of the optimization process, the samples with the highest surface areas were identified as AC-Z2-700 and AC-K2-700, with AC-Z2-700 exhibiting the highest hydrogen storage performance. Storage capacities increased with rising pressure and decreasing temperature for both samples, while the isotherm profiles varied significantly between room and cryogenic conditions. The experimental data fitted well with the Henry and Freundlich isotherms at room temperature and with the Langmuir isotherm at cryogenic temperature. Furthermore, kinetic analyses indicated that the adsorption followed a pseudo-second-order model and that the dominant mechanism was intraparticle diffusion within the pores of the activated carbon. Overall, the findings demonstrate that sunflower stalk is a promising and sustainable precursor for producing high-surface area activated carbons with competitive hydrogen storage capabilities, contributing to both clean energy applications and environmental sustainability.

在本研究中,采用不同的活化剂(ZnCl2或KOH)在生物质比为1:1、2:1和3:1 (w/w)的条件下进行初始化学活化,提高了向日葵秸秆废弃物活性炭的储氢能力,然后根据其表面积性能在不同的温度(600°C、700°C、800°C和900°C)下进行炭化。利用BET、FTIR、DTA/TG、SEM/EDX等技术对制备的样品进行了系统的优化和表征。SEM/EDX分析显示,活性炭表面的孔隙率显著增加,元素组成随活化剂和炭化温度的变化而发生显著变化。在室温和低温下,测量了优化后样品的储氢能力与压力的关系。优化后的样品表面积最大的是AC-Z2-700和AC-K2-700,其中AC-Z2-700的储氢性能最好。两种样品的存储容量均随压力的升高和温度的降低而增加,而室温和低温条件下的等温线曲线变化显著。实验数据与室温下的亨利等温线和弗伦德里奇等温线和低温下的朗缪尔等温线吻合较好。动力学分析表明,吸附过程为准二级吸附,主要机理为活性炭孔内颗粒内扩散。总的来说,研究结果表明,向日葵秸秆是一种有前途的可持续前体,可用于生产具有竞争性储氢能力的高表面积活性炭,有助于清洁能源的应用和环境的可持续性。
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引用次数: 0
RuO2-Modified Sulfurized Polyacrylonitrile Composite Cathodes for Sodium-Sulfur Batteries With Enhanced Electrochemical Performance 提高电化学性能的硫化聚丙烯腈钠硫电池复合阴极
Pub Date : 2025-08-29 DOI: 10.1002/est2.70259
Joseph Nishanth, Mohammed Saquib Khan,  Manish, M. Dinachandra Singh, Kanwar S. Nalwa, Sudarshan Narayanan
<div> <p>Sulfurized polyacrylonitrile (SPAN) composite cathode for sodium-sulfur (Na-S) batteries has gained popularity as it addresses challenges associated with the dissolution of polysulfides in liquid electrolytes. However, SPAN cathodes suffer from sluggish kinetics, which can be addressed by catalytic enhancers. Nevertheless, the majority of research on composite sulfur cathodes with catalysts is centered around Li-S chemistries. The research gap arises from the sluggish kinetics of <span></span><math> <semantics> <mrow> <msup> <mi>Na</mi> <mo>+</mo> </msup> </mrow> <annotation>$$ {mathrm{Na}}^{+} $$</annotation> </semantics></math> ions within the SPAN matrix. Ruthenium dioxide <span></span><math> <semantics> <mrow> <mfenced> <msub> <mi>RuO</mi> <mn>2</mn> </msub> </mfenced> </mrow> <annotation>$$ left({mathrm{RuO}}_2right) $$</annotation> </semantics></math>, known for its exceptional catalytic activity, is employed in this work as a functional modification on SPAN, for Na-S batteries. The SPAN cathode without a catalyst exhibited a capacity of only <span></span><math> <semantics> <mrow> <mn>330</mn> <mspace></mspace> <msup> <mtext>mAhg</mtext> <mrow> <mo>−</mo> <mn>1</mn> </mrow> </msup> </mrow> <annotation>$$ 330kern0.5em {mathrm{mAhg}}^{-1} $$</annotation> </semantics></math> at C/2, while SPAN with <span></span><math> <semantics> <mrow> <msub> <mi>RuO</mi> <mn>2</mn> </msub> </mrow> <annotation>$$ {mathrm{RuO}}_2 $$</annotation> </semantics></math> catalyst demonstrated a 97% improvement by exhibiting a specific capacity of <span></span><math> <semantics> <mrow> <mn>650</mn> <mspace></mspace> <msup> <mtext>mAhg</mtext> <mrow> <mo>−</mo> <mn>1</mn> </mrow> </msup> </mrow> <annotation>$$ 650kern0.5em {mathrm{mAhg}}^{-1} $$</annotation> </semantics></math> at the same C rate. Moreover, even after 300 cycles, the catalyst-modified SPAN composite retained at least 60% of its initial capacity <span></span><math> <semantics>
用于钠硫(Na-S)电池的硫化聚丙烯腈(SPAN)复合阴极由于解决了多硫化物在液体电解质中的溶解问题而受到欢迎。然而,SPAN阴极的动力学缓慢,这可以通过催化增强剂来解决。然而,大多数关于催化剂复合硫阴极的研究都集中在锂硫化学上。研究空白的原因是Na + $$ {mathrm{Na}}^{+} $$离子在SPAN基体内的动力学迟缓。以其特殊的催化活性而闻名的二氧化钌ruo2 $$ left({mathrm{RuO}}_2right) $$在这项工作中被用作Na-S电池的SPAN的功能改性。没有催化剂的SPAN阴极在C/2下的容量仅为330 mAhg−1 $$ 330kern0.5em {mathrm{mAhg}}^{-1} $$;而含有ruo2 $$ {mathrm{RuO}}_2 $$催化剂的SPAN则达到97% improvement by exhibiting a specific capacity of 650 mAhg − 1 $$ 650kern0.5em {mathrm{mAhg}}^{-1} $$ at the same C rate. Moreover, even after 300 cycles, the catalyst-modified SPAN composite retained at least 60% of its initial capacity 410 mAhg − 1 $$ left(410kern0.5em {mathrm{mAhg}}^{-1}right) $$ , whereas the cathode without RuO 2 $$ {mathrm{RuO}}_2 $$ completely degraded after 250 cycles. This notable improvement is accompanied by a decrease in the charge transfer resistance from 267.2 to 77.6 Ω, indicating improved electrochemical performance and stability with the incorporation of the RuO 2 $$ {mathrm{RuO}}_2 $$ catalyst. This research is, to the best of our knowledge, the first to demonstrate high-performance RuO 2 $$ {mathrm{RuO}}_2 $$ -modified SPAN cathode material for Na-S batteries.
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引用次数: 0
High-Powered Nanostructured rGO/g-C3N4/CoSe||AC Electrodes Employed in an Asymmetric Supercapacitor Device 大功率纳米结构rGO/g-C3N4/CoSe||交流电极在非对称超级电容器器件中的应用
Pub Date : 2025-08-26 DOI: 10.1002/est2.70257
Premanand Ganesan, Sridevi D V, Manojkumar Moorthy, Suresh Perumal, Silambarasan S, Thandavarayan Maiyalagan, Tushar H. Rana, Arun Prakash Periasamy, Ramesh V

Supercapacitors are increasingly adopting two-dimensional (2D) carbon-intercalated transition metal chalcogenide (TMC) composites (CxMX1−x) due to their adjustable surface properties, makeup, and structure. Even though they show promise, we still do not know much about how the strain in the structure and changes in electronic properties from 2D carbon intercalation affect them. In this study, we prepared (rGO/g-C3N4)x-(CoSe)1−x nanocomposites using a new one-step hydrothermal method with very low (x = 0.01) and higher (x = 0.10) amounts of carbon to see how they affect lattice strain and electrochemical performance. The results of XRD and Rietveld refinement demonstrated the purity of the materials and revealed an increase in lattice size with the addition of more rGO/g-C3N4. Crystallite size decreased from 12.97 nm for CoSe to 9.5 nm for the (rGO/g-C3N4)0.1-(CoSe)0.90 sample due to strain introduced by carbon intercalation. TEM analysis showed nanosheet morphologies with visible rGO and g-C3N4 structures. XPS confirmed the Co2+ and Se2− oxidation states and validated the presence of C–C and C–N bonds. The (rGO/g-C3N4)0.1-(CoSe)0.90 electrode exhibited a high specific capacitance of 1102 F g−1 at 1 A g−1 and retained 97.1% after 2000 cycles. An asymmetric device using activated carbon (AC) achieved an energy density of 53.31 Wh kg−1, a power density of 750 W kg−1, and 97% capacitance retention after 5000 cycles, underscoring the material's potential for durable, high-performance.

超级电容器越来越多地采用二维(2D)碳插层过渡金属硫族化物(TMC)复合材料(CxMX1−x),因为它们的表面性能、组成和结构都是可调节的。尽管它们表现出了希望,但我们仍然不太清楚结构中的应变和二维碳插层的电子性质变化是如何影响它们的。在这项研究中,我们使用一种新的一步水热方法制备了(rGO/g-C3N4)x-(CoSe)1−x纳米复合材料,其碳含量非常低(x = 0.01)和更高(x = 0.10),以观察它们如何影响晶格应变和电化学性能。XRD和Rietveld细化的结果证明了材料的纯度,并且随着rGO/g-C3N4的加入,晶格尺寸增加。(rGO/g-C3N4)0.1-(CoSe)0.90样品由于碳插层引起的应变,晶粒尺寸从CoSe的12.97 nm减小到CoSe的9.5 nm。透射电镜(TEM)分析显示纳米片形貌具有可见的氧化石墨烯(rGO)和g-C3N4结构。XPS证实了Co2+和Se2 -氧化态,并证实了C-C和C-N键的存在。(rGO/g- c3n4)0.1-(CoSe)0.90电极在1 a g−1时具有1102 F g−1的高比电容,在2000次循环后保持97.1%的比电容。使用活性炭(AC)的非对称器件实现了53.31 Wh kg - 1的能量密度,750 W kg - 1的功率密度,在5000次循环后保持97%的电容,强调了材料耐用,高性能的潜力。
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引用次数: 0
India's Lithium-Ion Battery Landscape Strategic Opportunities, Market Dynamics, and Innovation Pathways 印度锂离子电池前景:战略机遇、市场动态和创新途径
Pub Date : 2025-08-22 DOI: 10.1002/est2.70244
S. Hemavathi

India's lithium-ion battery (LIB) ecosystem is rapidly expanding, driven by the surge in electric vehicle (EV) adoption, renewable energy integration, and portable electronics. This review critically analyzes India's LIB market dynamics, which are projected to exceed 260 GWh annual demand by 2030, up from 3 GWh in 2020. It evaluates safety challenges, including thermal runaway, BMS failures, and temperature-induced degradation under Indian climatic and road conditions. Technological strategies such as hybrid BTMS designs, advanced chemistries (LFP, NMC), and AI-integrated BMS are discussed. The paper highlights national policies like FAME-II, PLI, and battery swapping frameworks, while assessing industrial readiness, localization efforts, and recycling gaps. Unique to this work is a comparative benchmarking of Indian battery performance, manufacturing capacity (targeted at 50 GWh by 2030), and regulatory progress. This comprehensive review provides a strategic roadmap for overcoming infrastructural, environmental, and technological barriers to support India's transition toward energy resilience and sustainable battery innovation.

在电动汽车(EV)普及、可再生能源整合和便携式电子产品激增的推动下,印度的锂离子电池(LIB)生态系统正在迅速扩张。该报告分析了印度的自由电池市场动态,预计到2030年,印度的年需求将超过260吉瓦时,高于2020年的3吉瓦时。它评估了在印度气候和道路条件下的安全挑战,包括热失控、BMS故障和温度引起的退化。讨论了混合BTMS设计、先进化学(LFP、NMC)和ai集成BMS等技术策略。本文重点介绍了FAME-II、PLI和电池交换框架等国家政策,同时评估了工业准备情况、本地化工作和回收差距。这项工作的独特之处在于对印度电池性能、制造能力(目标是到2030年达到50gwh)和监管进展进行了比较基准测试。这份全面的评估报告为克服基础设施、环境和技术障碍提供了战略路线图,以支持印度向能源弹性和可持续电池创新过渡。
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引用次数: 0
Performance Assessment of Serpentine and L-Shaped Cold Plate Battery Thermal Management for Cylindrical Lithium-Ion Battery Module 圆柱形锂离子电池组件蛇形和l形冷板电池热管理性能评估
Pub Date : 2025-08-21 DOI: 10.1002/est2.70239
Pritam Bhat, Mahesh K. Varpe

The operation of Lithium-Ion Battery at high C-rates generates enormous heat resulting in higher temperatures which may affect its performance, cycle life, and safety. This necessitates the regulation on temperatures through effective thermal management. The present study evaluates a battery thermal management system (BTMS), viz. a serpentine and L-shaped mini-channel cold plates using nanofluid coolant combined with phase change material (PCM) subjected to a constant discharge of 80 A (8 C) and US06 drive schedule. A 4S4P LIB module rated 0.147 kWh, consisting of cylindrical cells, was chosen for the investigation. The thermal and electrical governing equations of the MSMD battery module were numerically solved using ANSYS Fluent solver. It is observed that a laminar flow at a Reynolds number of 1380 with the Al2O3 nanofluid having concentration in the range of 0.02–0.035 is effective in achieving lower battery surface temperatures and decreased pumping losses. The serpentine cold plate with the PCM effectively dissipated nearly 91% of the generated heat, but it experienced a 50% higher pressure drop compared to the L-shaped configuration. The study emphasizes that both the heat dissipation and the pressure loss in the cooling system play a vital role in the design and choice of BTM.

锂离子电池在高倍率下运行会产生巨大的热量,导致温度升高,这可能会影响其性能、循环寿命和安全性。这就需要通过有效的热管理来调节温度。本研究评估了一种电池热管理系统(BTMS),即使用纳米流体冷却剂结合相变材料(PCM)的蛇形和l形微型通道冷板,在80a(8℃)恒定放电和US06驱动计划下。选择额定0.147 kWh的4S4P LIB模块,由圆柱形电池组成。利用ANSYS Fluent求解器对MSMD电池模块的热电控制方程进行了数值求解。在雷诺数为1380的层流条件下,Al2O3纳米流体的浓度在0.02 ~ 0.035之间,可以有效降低电池表面温度,减少泵送损失。带有PCM的蛇形冷板有效地消散了近91%的热量,但与l形冷板相比,它的压降高了50%。研究强调,冷却系统的散热和压力损失在BTM的设计和选择中起着至关重要的作用。
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引用次数: 0
Activated Carbon From Rice Bran Oil as Cost Effective Electrode Material for Supercapacitors 米糠油活性炭作为超级电容器电极材料的研究
Pub Date : 2025-08-21 DOI: 10.1002/est2.70256
E. Rishad Baig, K. I. Suresh, P. Sujatha Devi

Materials development for energy generation and storage has been widely investigated in the present decade. In this work, carbon collected from rice bran oil burning, termed nanocarbon (NC) and its activated form (ANC), is well characterized for structure, morphology, and electrochemical properties, to assess their potential use in supercapacitor applications. The performance of the supercapacitors, fabricated using NC, ANC, and a commercial carbon (CC) as electrode material, has been evaluated on FTO-coated glass plates. The device performance has been tested in three different electrolytes, namely, 6 M KOH, 1 M H2SO4, and 0.5 M solution of 1-Butyl-3-methylimidazolium hexafluorophosphate in acetonitrile. The supercapacitor with ANC electrode in 6 M KOH electrolyte yielded a specific capacitance of 97.77 F g−1 at 1 A g−1 current density and retained 93% efficiency after 5000 cycles, quite comparable to the commercial carbon-based device. The device also showed a higher energy density of 11 Wh kg−1 and power density of 900 W kg−1. While using the ionic liquid electrolyte, the specific capacitance was lowered to 40.44 F g−1 at 1 A g−1 current density, but with a wider potential window of 2.5 V. The results confirm that carbon soot from rice bran oil burning, which is a waste form of carbon, on activation by simple air annealing could be a potentially promising electrode material for supercapacitor applications.

近十年来,能源生产和储存材料的发展得到了广泛的研究。在这项工作中,从米糠油燃烧中收集的碳,称为纳米碳(NC)及其活化形式(ANC),在结构,形态和电化学性能方面进行了很好的表征,以评估它们在超级电容器中的潜在应用。用NC、ANC和商用碳(CC)作为电极材料制成的超级电容器的性能在fto镀膜玻璃板上进行了评估。在6 M KOH, 1 M H2SO4和0.5 M 1-丁基-3-甲基咪唑六氟磷酸乙腈溶液中测试了该装置的性能。在6 M KOH电解液中使用ANC电极的超级电容器在1 a g−1电流密度下的比电容为97.77 F g−1,循环5000次后效率保持在93%,与商用碳基电容器相当。该器件的能量密度为11 Wh kg−1,功率密度为900 W kg−1。当使用离子液体电解质时,在1 A g−1电流密度下,比电容降至40.44 F g−1,但电位窗更宽,为2.5 V。结果证实,米糠油燃烧产生的碳烟是碳的一种废形式,经简单的空气退火活化后,可能成为一种有潜力的超级电容器电极材料。
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引用次数: 0
Gas Storage Applications of Metal–Organic Frameworks 金属-有机框架的储气应用
Pub Date : 2025-08-21 DOI: 10.1002/est2.70258
Laila Rameesha, Ajitha Pandi, Chitra Boobalan

This review presents a comprehensive overview beginning with the introduction to MOFs as ideal candidates for gas storage. The synthesis of MOFs through various methodologies is examined in detail. Additionally, the review explores the factors that affect MOF stability, such as framework rigidity, metal–ligand bond strength, and environmental tolerance. A comprehensive section is devoted to the impact of structural parameters like pore size, surface area, and functional groups on gas storage efficiency. The applications of MOFs in CO2 capture, as well as hydrogen and methane storage, are critically assessed, highlighting material design strategies aimed at enhancing uptake and selectivity under ambient conditions. The review wraps up with future perspectives, concentrating on scaling up production, enhancing environmental stability, and incorporating MOFs into practical storage systems. This work seeks to direct researchers toward rational design and scalable implementation of MOFs for sustainable and efficient gas storage technologies.

这篇综述提出了一个全面的概述,从介绍mof作为气体储存的理想候选者开始。通过各种方法的mof的合成进行了详细的检查。此外,本文还探讨了影响MOF稳定性的因素,如框架刚度、金属-配体结合强度和环境耐受性。一个全面的部分致力于结构参数,如孔径,表面积和官能团对储气效率的影响。本文对mof在二氧化碳捕获、氢气和甲烷储存方面的应用进行了批判性评估,强调了旨在提高环境条件下的吸收和选择性的材料设计策略。该综述总结了未来的展望,重点是扩大生产规模,提高环境稳定性,并将MOFs纳入实际的存储系统。这项工作旨在指导研究人员合理设计和可扩展实施mof,以实现可持续和高效的储气技术。
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引用次数: 0
Lifetime Assessment of Polyolefinic Liners for Pit Thermal Energy Storages 坑式储热用聚烯烃衬垫寿命评估
Pub Date : 2025-08-19 DOI: 10.1002/est2.70252
Lukas Peham, Gernot M. Wallner, Michael Grabmann, David Nitsche

This paper presents the lifetime assessment of polyolefinic liner materials for pit thermal energy storages (PTES). The study introduces a predictive approach based on accelerated aging of micro-specimens, enabling lifetime extrapolation to real-scale liners under service-relevant conditions. A novel high-temperature-resistant polypropylene (PP-HTR) was tested between 85°C and 135°C. Aging was evaluated by oxidation onset temperature and strain-at-break, determined through thermal analysis and tensile testing. Results were compared to commercial polypropylene random copolymer (PP-R) and high-density polyethylene (PE-RT) grades. For lifetime extrapolation, an Arrhenius relationship was established for temperature dependence and a power law model for the effect of thickness. Assuming cumulative damages, lifetime values were estimated for several upcoming PTES. The novel PP-HTR liner exhibited superior long-term durability, outperforming PP-R and PE-RT materials by a factor of 4 and 6, respectively. Endurance times of up to 50 years at 80°C were deduced.

本文介绍了坑式储热系统聚烯烃内衬材料的寿命评估。该研究引入了一种基于微试件加速老化的预测方法,实现了实际尺寸衬管在服役相关条件下的寿命外推。一种新型耐高温聚丙烯(PP-HTR)在85 ~ 135℃间进行了测试。老化通过氧化起始温度和断裂应变来评估,通过热分析和拉伸测试来确定。结果与商品聚丙烯无规共聚物(PP-R)和高密度聚乙烯(PE-RT)等级进行了比较。对于寿命外推,建立了温度依赖的Arrhenius关系和厚度影响的幂律模型。假设累积损害,估计几个即将到来的PTES的寿命值。新型PP-HTR衬垫具有优异的长期耐久性,其性能分别是PP-R和PE-RT材料的4倍和6倍。在80°C下的寿命可达50年。
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引用次数: 0
Topological Characterization of a Complete Set of Small-Sized Graphene Sheets Using Molecular Descriptors With Energy Storage Applications 一套完整的小尺寸石墨烯片的拓扑表征使用分子描述符与储能应用
Pub Date : 2025-08-19 DOI: 10.1002/est2.70253
Lorentz Jäntschi

Graphenes are very thin layers formed by hexagonal networks of carbon atoms that possess special mechanical, electrical, and optical properties. There is a growing interest in the study and exploitation of graphene, expressed in numerous recent studies, both theoretical and practical. Here, graphenes were theoretically investigated using molecular descriptors. The complete set of 22 graphene conformers, with five cycles of six connected carbon atoms, was subjected to the study. The Zagreb index family was used in the first instance. The analysis showed that, in the case of the analyzed graphenes, the degeneracy of the Zagreb indices is very high. In addition, when the first Zagreb index is degenerate, the structures can still be discriminated by the second Zagreb index. However, when the second Zagreb index is also degenerate, the entire Zagreb index family built with expressions involving vertex degree on adjacent ones is degenerate. Thus, its use in the case of graphenes is not recommended. In general, topological descriptors have a low power of discrimination in classes of conformers. Moreover, for a pair of conformers, even the extended Hückel energy is degenerate. In this case, the resolution can be obtained with descriptors generated from molecular geometry. Furthermore, using a pool of descriptors exploring the robustness of topology and resolution of geometry significantly increases the accuracy of structure to property prediction. The SMPI (Szeged matrix property indices) family of descriptors has been used here as an alternative, and discriminated all 22 conformers adequately. A simple linear regression, explaining over 99.97% of the extended Hückel energy using one SMPI descriptor, has been found, showing thus the potential of the SMPI family in graphene discrimination in particular and materials science-related structure-based estimations and predictions in general.

石墨烯是由碳原子的六边形网络形成的非常薄的层,具有特殊的机械、电学和光学特性。人们对石墨烯的研究和开发越来越感兴趣,这在最近的许多理论和实践研究中都得到了体现。在这里,用分子描述符从理论上研究了石墨烯。完整的22个石墨烯构象,具有6个连接的碳原子的5个循环,是研究的对象。第一次使用的是萨格勒布指数族。分析表明,在所分析的石墨烯中,Zagreb指数的简并度非常高。此外,当第一个萨格勒布指数简并时,仍然可以通过第二个萨格勒布指数来区分结构。然而,当第二个萨格勒布指数也是简并时,由相邻的顶点度表达式构成的整个萨格勒布指数族是简并的。因此,不建议将其用于石墨烯。一般来说,拓扑描述符在构象类中具有较低的分辨能力。此外,对于一对构象,即使扩展的h ckel能量也是简并的。在这种情况下,可以通过分子几何生成的描述符获得分辨率。此外,使用描述符池探索拓扑的鲁棒性和几何的分辨率显着提高了结构到属性预测的准确性。SMPI(塞格德矩阵性质指数)家族的描述符已被用作替代,并充分区分所有22个构象。一个简单的线性回归,使用一个SMPI描述符解释了超过99.97%的扩展h ckel能量,因此显示了SMPI家族在石墨烯识别方面的潜力,特别是在材料科学相关的基于结构的估计和预测方面。
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Energy Storage
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