VOC

VOC
  • 文章类型: Journal Article
    在这项研究中,探索了一种共催化途径来增强挥发性有机化合物(VOC)的光臭氧催化降解。将NiCo2O4负载到CeO2纳米颗粒的表面上以产生复合催化剂(10%NiCo2O4/CeO2)。NiCo2O4在CeO2上的集成增强了催化剂与甲苯之间的相互作用,代表性的VOC,导致甲苯吸附显着增加,而比表面积没有相应增加。这种集成还改善了电荷载体的利用和臭氧到O2的转化。在可见光照射下,H2O在10%NiCo2O4/CeO2表面积累电荷载流子,促进臭氧利用和甲苯吸附。NiCo2O4负载的另一个好处是其提高太阳能转换效率的能力。因此,与CeO2相比,10%NiCo2O4/CeO2的甲苯去除和矿化效率分别提高了182%和309%,与NiCo2O4相比分别提高了201%和357%。总的来说,这项研究证明了一种新型的助催化剂设计策略,用于增强VOCs的光臭氧催化降解。
    In this study, a co-catalytic route was explored to enhance the photo-ozone catalytic degradation of volatile organic compounds (VOCs). NiCo2O4 was loaded onto the surface of CeO2 nanoparticles to create a composite catalyst (10%NiCo2O4/CeO2). The integration of NiCo2O4 onto CeO2 enhanced the interaction between the catalyst and toluene, a representative VOC, resulting in significantly increased toluene adsorption without a corresponding increase in specific surface area. This integration also improved the utilization of charge carriers and conversion of ozone to O2-. Under visible light irradiation, H2O accumulated charge carriers at 10%NiCo2O4/CeO2\'s surface, facilitating both ozone utilization and toluene adsorption. Another benefit of NiCo2O4 loading was its ability to enhance the conversion efficiency of solar energy. Consequently, the toluene removal and mineralization efficiencies of 10%NiCo2O4/CeO2 were enhanced by 182% and 309% compared to CeO2, and by 201% and 357% compared to NiCo2O4, respectively. Overall, this study demonstrated a novel co-catalyst design strategy for enhancing the photo-ozone catalytic degradation of VOCs.
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  • 文章类型: Journal Article
    一种有前途的污染控制技术是冷等离子体驱动的化学处理。等离子体是在接近大气压-温度的反应器内的脉冲电气体放电。该系统由非常短的高压脉冲的连续流供电。待处理的废气流过反应器。应用的方法涉及开发强大的冷等离子体系统,工业应用和测量技术。在许多工业现场进行了系统测试,涉及控制空气中的VOC(挥发性有机化合物)和气味。电气,用最先进的方法收集化学和气味测量数据。为了解释测试数据,开发了脉冲等离子体化学的整体反应动力学的近似解。它涉及到兰伯特函数,为方便起见,一个简单的近似。后者表明,去除量,在很好的近似中,是单个变量的函数。该变量是电等离子体功率除以气流除以输入浓度。在结果部分中,我们表明,在某些情况下,可以在可接受的能量需求下去除高达99%的挥发性污染。在最后部分中,我们将通过实施(亚)纳秒脉冲等离子体和固态高压技术以及与催化剂技术的集成来探讨未来的效率提高。
    A promising pollution control technology is cold plasma driven chemical processing. The plasma is a pulsed electric gas discharge inside a near atmospheric-pressure-temperature reactor. The system is energized by a continuous stream of very short high-voltage pulses. The exhaust gas to be treated flows through the reactor. The methods applied involve the development of robust cold plasma systems, industrial applications and measuring technologies. Tests of the systems were performed at many industrial sites and involved control of airborne VOC (volatile organic compound) and odor. Electrical, chemical and odor measuring data were collected with state-of-the-art methods. To explain the test data an approximate solution of global reaction kinetics of pulsed plasma chemistry was developed. It involves the Lambert function and, for convenience, a simple approximation of it. The latter shows that the amount of removal, in good approximation, is a function of a single variable. This variable is electric plasma power divided by gas flow divided by input concentration. In the results sections we show that in some cases up to 99% of volatile pollution can be removed at an acceptable energy requirement. In the final sections we look into future efficiency enhancements by implementation of (sub)nanosecond pulsed plasma and solid state high-voltage technology and by integration with catalyst technology.
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  • 文章类型: Journal Article
    在基于钙钛矿的太阳能电池(PSC)的平面异质结构中,氧化锡(SnO2)是经常用作电子传输层(ETL)的材料。SnO2ETL在PSC结构中表现出良好的光学和电学性质。然而,由于SnO2表面上的高氧空位和SnO2的较深导带(CB)能级引起的缺陷,在PSC中发生开路电压(VOC)耗尽。在这项研究中,在SnO2(Ce-SnO2)中引入铈(Ce)掺杂剂以抑制PSC的VOC损失。Ce掺杂后,SnO2的CB最小值更接近钙钛矿的CB最小值。此外,Ce掺杂有效地钝化了SnO2上的表面缺陷,并通过Ce-SnO2提高了电子输运速度。这些结果使得功率转换效率(PCE)能够从PSC(0.09cm2有效面积)的21.1%(SnO2)增加到23.0%(Ce-SnO2),具有约100mV的改进的VOC和减小的滞后。此外,基于Ce-SnO2ETL的大面积(1.0cm2)PSC递送22.9%的最高PCE。此外,1.19V的VOC和23.3%的PCE通过在钙钛矿顶表面上用2-苯乙胺氢碘化物处理的Ce-SnO2ETL基PSC(0.09cm2活性面积)证明。值得注意的是,未包封的基于Ce-SnO2ETL的PSC能够保持其初始PCE的90%以上约2000小时,其在相对湿度为40-50%的室温条件(23-25°C)下储存。
    In the planar heterostructure of perovskite-based solar cells (PSCs), tin oxide (SnO2) is a material that is often used as the electron transport layer (ETL). SnO2 ETL exhibits favorable optical and electrical properties in the PSC structures. Nevertheless, the open circuit voltage (VOC) depletion occurs in PSCs due to the defects arising from the high oxygen vacancy on the SnO2 surface and the deeper conduction band (CB) energy level of SnO2. In this research, a cerium (Ce) dopant was introduced in SnO2 (Ce-SnO2) to suppress the VOC loss of the PSCs. The CB minimum of SnO2 was shifted closer to that of the perovskite after the Ce doping. Besides, the Ce doping effectively passivated the surface defects on SnO2 as well as improved the electron transport velocity by the Ce-SnO2. These results enabled the power conversion efficiency (PCE) to increase from 21.1% (SnO2) to 23.0% (Ce-SnO2) of the PSCs (0.09 cm2 active area) with around 100 mV of improved VOC and reduced hysteresis. Also, the Ce-SnO2 ETL-based large area (1.0 cm2) PSCs delivered the highest PCE of 22.9%. Furthermore, a VOC of 1.19 V with a PCE of 23.3% was demonstrated by Ce-SnO2 ETL-based PSCs (0.09 cm2 active area) that were treated with 2-phenethylamine hydroiodide on the perovskite top surface. Notably, the unencapsulated Ce-SnO2 ETL-based PSC was able to maintain above 90% of its initial PCE for around 2000 h which was stored under room temperature condition (23-25 °C) with a relative humidity of 40-50%.
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  • 文章类型: Journal Article
    这篇综述针对空气污染控制领域的研究人员,旨在了解挥发性有机化合物(VOC)去除的最新进展。实施等离子体催化技术以去除挥发性有机化合物(VOC)导致降解产率和矿化速率显着提高,副产物形成少。等离子体-催化组合可以以两种不同的方式使用:(I)催化剂位于等离子体放电的下游,被称为“后等离子体催化配置”(PPC),和(II)催化剂位于等离子体区并直接暴露于放电,称为“在等离子体催化配置中”(IPC)。将这两种技术结合起来,尤其是对VOCs的消除近年来引起了许多研究者的兴趣。术语“协同作用”在他们的作品中被广泛报道,并与等离子体催化组合的积极作用有关。这篇综述论文研究了新发表的关于催化的论文的最新水平,光催化,非热等离子体,以及它们的组合用于VOC去除应用。重点是了解在等离子体和催化之间相互作用的不同协同源,并将其分为两个主要部分:等离子体放电对催化剂的影响和催化剂对等离子体放电的影响。这种方法具有应用于工业过程或室内环境的空气净化系统的潜力。
    This review is aimed at researchers in air pollution control seeking to understand the latest advancements in volatile organic compound (VOC) removal. Implementing of plasma-catalysis technology for the removal of volatile organic compounds (VOCs) led to a significant boost in terms of degradation yield and mineralization rate with low by-product formation. The plasma-catalysis combination can be used in two distinct ways: (I) the catalyst is positioned downstream of the plasma discharge, known as the \"post plasma catalysis configuration\" (PPC), and (II) the catalyst is located in the plasma zone and exposed directly to the discharge, called \"in plasma catalysis configuration\" (IPC). Coupling these two technologies, especially for VOCs elimination has attracted the interest of many researchers in recent years. The term \"synergy\" is widely reported in their works and associated with the positive effect of the plasma catalysis combination. This review paper investigates the state of the art of newly published papers about catalysis, photocatalysis, non-thermal plasma, and their combination for VOC removal application. The focus is on understanding different synergy sources operating mutually between plasma and catalysis discussed and classified into two main parts: the effect of the plasma discharge on the catalyst and the effect of the catalyst on plasma discharge. This approach has the potential for application in air purification systems for industrial processes or indoor environments.
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  • 文章类型: Journal Article
    我们提出了一种研究透气材料氧化和排放行为的新方法。采用这种方法,关于甲醛等关键挥发性有机化合物(VOC)的程度,乙醛,和丙烯醛作为杂质包含在材料中或通过聚合物基质在使用阶段的热氧化降解形成。对影响VOC分析方法的参数进行了综述,并考虑了所开发的方法。讨论了VOC形成的分子机制。反应动力学的毒理学含义与国际准则和阈值水平有关。这种新方法使多孔材料的制造商不仅能够确定其产品的氧化稳定性,而且能够优化它们以获得更高的耐久性。环境含义:细胞材料在技术圈中无处不在。它们在汽车内饰等各种微环境中发挥着至关重要的作用,建筑保温,和缓冲。这些材料容易氧化分解,导致甲醛的释放,乙醛,和丙烯醛.这些化合物的生态毒理学特征需要监测和调节。缺乏可重复和可靠的分析方法限制了旨在风险评估和缓解的研究和开发。这项工作显着增强了优化任何开孔多孔材料的氧化稳定性并根据其温度依赖性氧化和排放行为评估这些材料的工具箱。
    We present a new method for investigating the oxidation and emission behavior of air-permeable materials. Employing this method, a differentiated statement can be made about the extent to which critical volatile organic compounds (VOCs) such as formaldehyde, acetaldehyde, and acrolein are contained in the material as impurities or formed by thermo-oxidative degradation of the polymer matrix in the use phase. The parameters affecting methods of VOC analysis are reviewed and considered for the developed method. The molecular mechanisms of VOC formation are discussed. Toxicological implications of the reaction kinetics are put into context with international guidelines and threshold levels. This new method enables manufacturers of cellular materials not only to determine the oxidative stability of their products but also to optimize them specifically for higher durability. ENVIRONMENTAL IMPLICATION: Cellular materials are ubiquitous in the technosphere. They play a crucial role in various microenvironments such as automotive interiors, building insulation, and cushioning. These materials are susceptible to oxidative breakdown, leading to the release of formaldehyde, acetaldehyde, and acrolein. The ecotoxicological profiles of these compounds necessitate monitoring and regulation. The absence of reproducible and reliable analytical methods restricts research and development aimed at risk assessment and mitigation. This work significantly enhances the toolbox for optimizing the oxidative stability of any open-cell cellular material and evaluating these materials in terms of their temperature-dependent oxidation and emission behavior.
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  • 文章类型: Journal Article
    甲醛的室温催化氧化(HCHO)因其高效,便利性,和环境友好。在这里,镍-铁层状双氢氧化物(NiFeLDH)纳米片在镍箔(NF)上使用简单的一步水热法原位合成,然后通过NaBH4还原沉积超低含量(0.069wt%)的Pt纳米颗粒。所得的三维(3D)分层Pt/NiFe-NF催化剂在室温下表现出甲醛完全分解为二氧化碳(CO2)的特殊活性(在1小时内转化率约95%),以及显着的循环稳定性。Pt/NiFe-NF的3D多孔结构为气体分子的扩散提供了快速的传输通道,使活性催化剂表面更容易接近。此外,NiFeLDH中丰富的羟基用作HCHO分子的吸附中心,以形成二甲醛(DOM)和甲酸酯中间体。此外,NiFeLDH与Pt之间的电子相互作用增强了O2在Pt表面的吸附和活化,导致中间体完全分解为无毒产品。这项工作为设计和制备具有表面富含羟基的Pt基3D分层催化剂提供了新的见解,可有效去除室内HCHO。
    Room-temperature catalytic oxidation of formaldehyde (HCHO) has been extensively investigated due to its high efficiency, convenience, and environmental friendliness. Herein, nickel-iron layered double hydroxide (NiFe LDH) nanosheets were synthesized in-situ on a nickel foil (NF) using a facile one-step hydrothermal method, followed by the deposition of ultra-low content (0.069 wt%) of Pt nanoparticles through NaBH4 reduction. The resulting three-dimensional (3D) hierarchical Pt/NiFe-NF catalyst exhibited exceptional activity for the complete decomposition of formaldehyde to carbon dioxide (CO2) at room temperature (∼95 % conversion within 1 h), as well as remarkable cycling stability. The 3D porous structure of Pt/NiFe-NF provides fast transport channels for the diffusion of gas molecules, making the active catalyst surfaces more accessible. Moreover, abundant hydroxyl groups in NiFe LDH serve as adsorption centers for HCHO molecules to form dioxymethylene (DOM) and formate intermediates. Furthermore, electronic interactions between NiFe LDH and Pt enhance the adsorption and activation of O2 on Pt surfaces, leading to the complete decomposition of intermediates into non-toxic products. This work presents new insights into the design and preparation of Pt-based 3D hierarchical catalysts with surface-rich hydroxyl groups for the efficient removal of indoor HCHO.
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  • 文章类型: Journal Article
    植物释放出一系列挥发性有机化合物(VOCs),作为与生物和非生物环境相互作用的一种方式。这些挥发性有机化合物可以具有各种生态功能,例如吸引传粉者,驱除食草动物,或者可以响应非生物胁迫而发出。对于当前数据集,我们使用气相色谱耦合离子迁移谱(GC-IMS)分析了不同植物在受控条件下排放的挥发性有机化合物。GC-IMS是一种快速灵敏的气相分析技术,根据保留时间和漂移时间分离挥发性有机化合物,产生特征热图,其中信号的xy位置对应于化合物身份,而信号强度反映了它的丰度。在这个数据集中,通过GC-IMS快速分析用于记录来自不同分类组的140种植物的排放模式。这包括花卉挥发物和诱导损伤后叶片的排放。数据进行了预先评估,并在一个表格中列出,包含有关所用植物材料的信息,以及有关相应发射模式的信息(包括已经确定的化合物)。因此,该数据集提供了对植物VOC排放的广泛概述。这些可以用来检查已知物质的分布,或者功能性植物的特定排放,生态学或生理学研究或作为化学分类学研究的起点。通过适当的设置,可以轻松生成这些数据,这有助于进行跨植物(或动物)群体甚至生态系统的更大规模的系统或生态研究。
    Plants emit a range of volatile organic compounds (VOCs) as a way of interacting with their biotic and abiotic surroundings. These VOCs can have various ecological functions, such as attracting pollinators, repelling herbivores, or may be emitted in response to abiotic stress. For the present dataset, we used gas chromatography coupled ion mobility spectrometry (GC-IMS) to analyse the VOCs emitted by different plant species under controlled conditions. GC-IMS is a rapid and sensitive technique for gas phase analysis, that separates VOCs based on their retention time and drift time, resulting in characteristic heatmaps where the xy-position of a signal corresponds to compound identity, while signal intensity reflects its abundance. In this dataset, rapid analysis by GC-IMS was used to record emission pattern of 140 plant species from different taxonomic groups. This includes both floral volatiles and emission from leaves after induced damage. The data was pre-evaluated and listed in one table, containing information on the plant material used, as well as information on the respective emission patterns (including already identified compounds). Thus, this dataset provides a broad overview over plant VOC emissions. These can be used to either check the distribution of knowns substances, or the specific emissions of plants for functional, ecological or physiological studies or as the starting point for chemotaxonomic studies. The extraordinary ease with which these data can be generated - with the suitable set-up - lends itself to larger scale systematic or ecological studies across plant (or animal) groups and even ecosystems.
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  • 文章类型: Journal Article
    在过去的十年里,法国ATR-42研究飞机在巴黎大城市探索了对比污染的羽流,在MEGAPOLI框架内的西北地中海盆地(WMB)和西南非洲(SWA),ChArMEx/SAFMED和DACCIWA国际项目,分别。主要的挥发性有机化合物通过高灵敏度的机载四极质子转移反应质谱仪(Q-PTR-MS)进行测量,显示出稳健和一致的反应。不管在哪里,空气质量成分主要由含氧VOC(OVOC:甲醇,甲醛,乙醛,丙酮和异戊二烯氧化产物),这解释了Q-PTR-MS测得的总VOC负荷的70%。OVOC之间的分布,人为AVC和生物源BVOC在三个地区之间是一致的。在SWA羽流中,计算出的OH损失率(12s-1)和臭氧形成潜力(1200OFP-相对ppb)高三倍。这些值与在地面计算和测量的反应性一致。羽流的反应性到目前为止由生物源BVOC主导。通过建立连接Δ[O/VOC](VOC或含氧VOC)的各种指标来检查VOC的化学处理,羽流稀释和羽流的时间处理(累积OH暴露Δt[OH]和初级AVOC的线性衰减和次级OVOC的产生/衰减)。不出所料,Δ[Ox]/Δ[CO]随Δt[OH]增加,具有显著的R2(0.58至0.93)。AVOC(芳烃)通常显示每小时-0.5和-3.2pptAVOCppbCO-1之间的衰变速率,而OVOC要么显示增加(二次生产),要么显示减少。生产率是迄今为止最强的,在巴黎东部航班33期间,每小时高达18pptOVOCppbCO-1(乙醛)。我们的结果为未来的光化学研究提供了基准。虽然不排除某些BVOC(萜类化合物)的人为起源和干扰,它还强调了VOC生物成分在人为影响的环境中的重要性,在气候变暖的情况下,预计会增加。
    Over the last decade, the French ATR-42 research aircraft explored contrasting polluted plumes in the Paris megacity, the North-West Mediterranean Basin (WMB) and South West Africa (SWA) in the framework of the MEGAPOLI, ChArMEx/SAFMED and DACCIWA international projects, respectively. Major VOCs were measured by a high-sensitivity airborne Quadrupole Proton Transfer Reaction Mass Spectrometer (Q-PTR-MS), showing a robust and consistent response. Regardless of the location, the air mass composition is dominated by oxygenated VOC (OVOC: methanol, formaldehyde, acetaldehyde, acetone and isoprene oxidation products), which explain 70 % of the total VOC burden measured by the Q-PTR-MS. The distribution between OVOC, anthropogenic AVOC and biogenic BVOC is consistent between the three regions. The calculated OH loss rates (12 s-1) and ozone-forming potential (1200 OFP-relative ppb) are three times higher in the SWA plumes. These values are consistent with the calculated and measured reactivities at the ground. The reactivity of the plumes is by far dominated by biogenic BVOC. The chemical processing of VOC was examined by establishing various metrics linking Δ[O/VOC] (VOC or oxygenated VOC), plume dilution and the time processing of the plume (cumulative OH exposure Δt[OH] and the linear decay of primary AVOC and the production/decay of secondary OVOC). As expected, ∆[Ox]/∆[CO] increases with Δt[OH], with significant R2 (0.58 to 0.93). AVOC (aromatics) usually show a decay rate between -0.5 and -3.2 pptAVOC ppbCO-1 per hour, while OVOC either show an increase (secondary production) or a decrease. The production rate is by far the strongest, up to 18 pptOVOC ppbCO-1 per hour (acetaldehyde) during the eastern flight 33 in Paris. Our results set a benchmark for future photochemical studies to compare with. While the anthropogenic origin of some BVOC (terpenoids) and interferences are not excluded, it also emphasizes the importance of the VOC biogenic fraction in anthropogenically influenced environments, which is expected to increase in a warming climate.
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  • 文章类型: Journal Article
    背景:在整个COVID-19大流行期间,病毒进化和大规模疫苗接种计划导致了SARSCoV-2刺突蛋白的多次暴露,导致复杂的抗体谱。在这种异质暴露的背景下,尚未研究这些与“未来”变体的刺突蛋白的结合。
    方法:我们测试了通过抗刺突抗体(包括IgG)水平分层的存档血清(Delta和Omicron期)对Omicron亚变体(BA.1,BA.2,BA.2.12.1,BA.2.75,BA.4/5和BF.7)刺突蛋白的反应性。使用抗原制图评估组间的抗原距离,并在欧几里得距离框架中对抗体数据进行分层聚类。
    结果:抗体(包括IgG)抗体对野生型(CLIA)和亚变体(ELISA)刺突蛋白的反应性在各个时期之间相似(p>0.05)。Delta和Omicron期的\'高S\'和\'低S\'都与抗原制图的“未来”亚变体密切相关。来自不同S组的血清与\'低S\'一起散布在分层聚类上的\'高S\'之间,提示共同的结合位点。Further,野生型(S1/S2和三聚体S)的抗刺突抗体(包括IgG)与Omicron亚变体结合抗体成簇。
    结论:由Delta或Omicron时期的累积病毒暴露引起的混合免疫导致与“未来”变体的等效结合,这可能是由于与未来变体的刺突蛋白的保守区域结合。一个突出的发现是\'低S\'抗体表现出相似的结合。
    BACKGROUND: Throughout the COVID-19 pandemic, virus evolution and large-scale vaccination programs have caused multiple exposures to SARS CoV-2 spike protein, resulting in complex antibody profiles. The binding of these to spike protein of \"future\" variants in the context of such heterogeneous exposure has not been studied.
    METHODS: We tested archival sera (Delta and Omicron period) stratified by anti-spike antibody (including IgG) levels for reactivity to Omicron-subvariants(BA.1, BA.2,BA.2.12.1, BA.2.75, BA.4/5 and BF.7) spike protein. Assessed antigenic distance between groups using Antigenic Cartography and performed hierarchical clustering of antibody data in a Euclidean distance framework.
    RESULTS: Antibody (including IgG) antibody reactivity to Wild-type (CLIA) and subvariants (ELISA) spike protein were similar between periods (p > 0.05). Both \'High S\' and \'Low S\' of Delta and Omicron periods were closely related to \"future\" subvariants by Antigenic Cartography. Sera from different S groups clustered together with \'Low S\' interspersed between \'High S\' on hierarchical clustering, suggesting common binding sites. Further, anti-spike antibodies (including IgG) to Wild-type (S1/S2 and Trimeric S) clustered with Omicron-subvariant binding antibodies.
    CONCLUSIONS: Hybrid immunity caused by cumulative virus exposure in Delta or Omicron periods resulted in equivalent binding to \"future\" variants, which might be due to binding to conserved regions of spike protein of future variants. A prominent finding is that the \'Low S\' antibody demonstrates similar binding.
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  • 文章类型: Journal Article
    准确预测挥发性有机化合物(VOCs)的标准汽化焓(ΔvapHm°)在环境化学中至关重要。工业应用和法规遵从性。为了克服传统的预测VOCsΔvapHm°的实验方法,机器学习(ML)模型实现了高吞吐量,具有成本效益的财产估计。但是,尽管势头上升,现有的ML算法在预测精度和广泛的化学应用方面仍然存在局限性。在这项工作中,我们提出了一个数据驱动,可解释的监督ML模型预测VOCs的ΔvapHm°。该模型建立在已建立的2410个独特分子和223个按化学基团分类的VOC的实验数据库上。使用有监督的ML回归算法,随机森林成功预测了VOCs\'ΔvapHm°,平均绝对误差为3.02kJmol-1,测试分数为94%。通过对已知的VOC数据库的ΔvapHm°的预测以及通过分子群保持测试,成功地验证了该模型。通过化学特征重要性分析,这个可解释的模型揭示了VOC极化率,连通性指数和电拓扑状态是模型预测精度的关键。因此,我们提出了一个可复制和可解释的模型,可以进一步扩展到对VOCs其他热力学性质的预测。
    The accurate prediction of standard vaporization enthalpy (ΔvapHm°) for volatile organic compounds (VOCs) is of paramount importance in environmental chemistry, industrial applications and regulatory compliance. To overcome traditional experimental methods for predicting ΔvapHm° of VOCs, machine learning (ML) models enable a high-throughput, cost-effective property estimation. But despite a rising momentum, existing ML algorithms still present limitations in prediction accuracy and broad chemical applications. In this work, we present a data driven, explainable supervised ML model to predict ΔvapHm° of VOCs. The model was built on an established experimental database of 2410 unique molecules and 223 VOCs categorized by chemical groups. Using supervised ML regression algorithms, the Random Forest successfully predicted VOCs\' ΔvapHm° with a mean absolute error of 3.02 kJ mol-1 and a 95% test score. The model was successfully validated through the prediction of ΔvapHm° for a known database of VOCs and through molecular group hold-out tests. Through chemical feature importance analysis, this explainable model revealed that VOC polarizability, connectivity indexes and electrotopological state are key for the model\'s prediction accuracy. We thus present a replicable and explainable model, which can be further expanded towards the prediction of other thermodynamic properties of VOCs.
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