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A Pulsed Hollow Cathode Discharge Operated in an Ar/N(_2)/O(_2) Gas Mixture and the Formation of Nitric Oxide 在 Ar/N $_2$$ /O $_2$$ 混合气体中运行的脉冲空心阴极放电和一氧化氮的形成
IF 2.6 3区 物理与天体物理 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-02-06 DOI: 10.1007/s11090-024-10450-2
Rainer Hippler, Martin Cada, Antonin Knizek, Martin Ferus, Zdenek Hubicka

A hollow cathode discharge with a CuNi (Cu50Ni50) cathode was operated in an Ar/N(_2)/O(_2) gas mixture. The energy distribution of plasma ions is investigated with the help of energy-resolved mass spectrometry. Formation of singly ionised Ar(^+) and of Cu(^+) and Ni(^+) ions is observed in pure argon. With the addition of N(_2) or O(_2) gas the additional formation of molecular N(_2^ +) or O(_2^+) ions is observed. The intensity of these ions is reduced in the Ar+N(_2)+O(_2) gas mixture and molecular NO(^+) ions become the most abundant ionic species. The formation of neutral NO molecules is confirmed by optical emission spectroscopy. Gas samples collected at the exhaust of the vacuum chamber confirm the formation of NO and, additionally, of NO(_2) molecules.

Sample taken from the exhaust of the plasma chamber with a liquid-nitrogen-cooled glass container showing solid nitrogen oxide (blue).

Abstract 在 Ar/N(_2)/O(_2) 混合气体中进行了铜镍(Cu50Ni50)阴极空心阴极放电。在能量分辨质谱仪的帮助下,对等离子体离子的能量分布进行了研究。在纯氩气中观察到了单离子化的 Ar (^+)以及 Cu (^+)和 Ni (^+)离子的形成。当加入 N (_2)或 O (_2)气体时,会观察到 N (_2^+)或 O (_2^+)分子离子的额外形成。在 Ar+N(_2)+O(_2) 混合气体中,这些离子的强度降低了,分子 NO(^+) 离子成为最丰富的离子种类。光学发射光谱证实了中性 NO 分子的形成。在真空室排气口收集的气体样本证实了 NO 的形成,此外还证实了 NO (_2)分子的形成。
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引用次数: 0
Experimental and Numerical Study on Polymer Ablated Arc Characteristics with One Side Flow Outlet Model 单侧流出口模型下聚合物烧蚀电弧特性的实验和数值研究
IF 2.6 3区 物理与天体物理 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-02-06 DOI: 10.1007/s11090-024-10451-1
Yusuke Nakano, Yasunori Tanaka, Tatsuo Ishijima

An experimental and numerical study was conducted on the polymer ablated arc with an electrode configuration of a one-side gas flow outlet model. The polymers used for molded case circuit breaker and gas circuit breaker, such as PA6, POM, and PTFE, were compared. In the experiment, the polymer ablated arc characteristics of arc voltage, arc energy, and mass loss of polymer by ablation were measured. In the numerical calculation, an electromagnetic thermofluid simulation for polymer ablated arc was conducted using a calculation model of similar structure but without using empirical values. In the model used, the polymer ablation was treated as the pyrolytic ablation rather the photodegraded ablation because the arc plasma was definitely in contact with the polymer. The comparison of both experiment and numerical simulation results revealed the relationship between arc energy and mass loss of polymer by ablation, and these values agreed well. Therefore, the numerical simulation model with pyrolytic ablation developed was indicated to be valid for predicting the polymer ablated arc with plasma-polymer contact.

对单侧气体流出口模型电极配置的聚合物烧蚀电弧进行了实验和数值研究。比较了用于塑壳断路器和气体断路器的聚合物,如 PA6、POM 和 PTFE。在实验中,测量了聚合物烧蚀电弧的特性,包括电弧电压、电弧能量和聚合物烧蚀的质量损失。在数值计算中,使用了结构相似但不使用经验值的计算模型,对聚合物烧蚀电弧进行了电磁热流体模拟。在所使用的模型中,聚合物烧蚀被视为热解烧蚀,而不是光降解烧蚀,因为电弧等离子体肯定与聚合物接触。实验结果和数值模拟结果的对比显示了电弧能量和聚合物烧蚀质量损失之间的关系,这些值非常吻合。因此,所建立的热解烧蚀数值模拟模型可用于预测等离子体与聚合物接触的聚合物烧蚀电弧。
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引用次数: 0
Development and Performance Evolution of Medium-Pressure He/SF6/O2-Based Plasma and Wet Chemical Etching Process for Surface Modification of Fused Silica 用于熔融石英表面改性的基于中压 He/SF6/O2 的等离子体和湿化学蚀刻工艺的开发与性能演进
IF 2.6 3区 物理与天体物理 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-02-05 DOI: 10.1007/s11090-024-10447-x
Hari Narayan Singh Yadav, Manas Das

The rising demand for precision optics widely employed in ground and space-based astronomical instruments and other scientific instrumentation requires highly efficient advanced fabrication methods. Due to complex-shaped fused silica substrate surfaces like freeform or aspheres with strong curvatures or very small-sized components, a novel non-contact medium-pressure plasma-based method is developed to finish optical components. The present study critically compares the polished optical surfaces of a prism with a medium-pressure plasma process and wet chemical etching to provide insight into their smoothing. The results show that surface roughness (Ra) increases from 0.54 to 2.61 nm and 0.53 to 0.57 nm at 5 and 20 mbar total pressures, respectively, using a plasma process without surface contamination. However, wet chemical etching increases surface roughness (Ra) from 0.52 to 15.9 nm. The substrates' surface morphology, elemental composition, and surface topography are analyzed using FESEM, EDX, and AFM. Moreover, subsurface improvements are analyzed using Raman spectroscopy analysis.

地面和空间天文仪器及其他科学仪器广泛使用的精密光学元件的需求日益增长,这就需要高效先进的制造方法。由于熔融石英基片表面形状复杂,如自由曲面或具有强曲率的非球面,或者元件尺寸非常小,因此开发了一种新型的非接触中压等离子体方法来抛光光学元件。本研究对采用中压等离子工艺和湿化学蚀刻法抛光的棱镜光学表面进行了严格比较,以深入了解其平滑程度。结果表明,在 5 毫巴和 20 毫巴总压力下,使用等离子工艺,表面粗糙度 (Ra) 分别从 0.54 纳米增加到 2.61 纳米和 0.53 纳米增加到 0.57 纳米,且无表面污染。然而,湿化学蚀刻会将表面粗糙度(Ra)从 0.52 纳米增加到 15.9 纳米。使用 FESEM、EDX 和 AFM 分析了基底的表面形态、元素组成和表面形貌。此外,还使用拉曼光谱分析法对亚表面的改进进行了分析。
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引用次数: 0
Comparative Analysis of Direct Cold Atmospheric Plasma Treatment vs. Plasma Activated Water for the Deactivation of Omicron Variant of SARS-CoV-2 直接冷大气等离子处理与等离子活化水在灭活 SARS-CoV-2 奥米克龙变异体方面的比较分析
IF 2.6 3区 物理与天体物理 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-01-28 DOI: 10.1007/s11090-024-10449-9
Reema, Deepjyoti Basumatary, Heremba Bailung, Kamatchi Sankaranarayanan

Cold atmospheric plasma (CAP) has gaining potential, and very effective to curb or deactivate the various microorganisms such as bacteria and virus. Lately, the major outbreak SARS-CoV-2 infection has affected humanity largely with added complexity of its ability to mutate to variants such as Omicron. We have earlier shown the effectiveness of CAP on SARS-CoV-2 spike protein and, in this study, we have evaluated the effectiveness of CAP to deactivate Omicron. We studied the ability of the binding of Angiotensin converting Enzyme Protein (ACE2) protein to the plasma treated spike S1-S2 protein and spike Receptor binding domain (RBD) using Cold atmospheric plasma direct treatment as well as Plasma activated water (PAW). Results have shown the binding efficiency of Omicron spike protein to ACE2 decrease with increase in treatment time with both direct treatment and PAW as evidenced using spectroscopic techniques. The reactive species (RONS) play a major role in the efficient deactivation of the binding of ACE2 to the Omicron spike protein. Correspondingly, the comparison between the efficiency between direct treatment and PAW has also been discussed.

冷大气等离子体(CAP)具有越来越大的潜力,在抑制或灭活细菌和病毒等各种微生物方面非常有效。最近,大规模爆发的 SARS-CoV-2 感染在很大程度上影响了人类,其变异能力(如 Omicron)也增加了复杂性。我们早些时候已经证明了 CAP 对 SARS-CoV-2 尖峰蛋白的有效性,在本研究中,我们评估了 CAP 对 Omicron 失活的有效性。我们使用冷大气等离子体直接处理法和等离子体活化水(PAW)研究了血管紧张素转换酶蛋白(ACE2)与等离子体处理过的尖峰 S1-S2 蛋白和尖峰受体结合域(RBD)的结合能力。结果表明,无论是直接处理还是等离子活化水处理,随着处理时间的延长,奥米克龙穗蛋白与 ACE2 的结合效率都会降低,这一点可以通过光谱技术得到证明。活性物种(RONS)在有效失活 ACE2 与 Omicron spike 蛋白的结合中发挥了重要作用。相应地,我们还讨论了直接处理和 PAW 的效率比较。
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引用次数: 0
The Effect of Mn/Fe Ratio on the Oxygenates Distribution from Partial Oxidation of n-C5H12 by Plasma Catalysis Over FeMn/Al2O3 Catalyst 等离子体催化正-C5H12 在 FeMn/Al2O3 催化剂上的部分氧化过程中 Mn/Fe 比率对氧代物分布的影响
IF 2.6 3区 物理与天体物理 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-01-28 DOI: 10.1007/s11090-024-10445-z
Xuming Zhang, Weiqiang Shen, Zijun He, Ying Liu, Dandan Wang, Hua Pan, Yuzhen Jin, Zuchao Zhu, Liancheng Zhang, Kai Li

Oxygenates production from the partial oxidation of liquid fuel is required for a cleaner combustion. The effect of Mn/Fe ratio was investigated to improve the oxygenates formation via plasma catalytic n-C5H12 partial oxidation over FeMn/Al2O3 catalyst. The oxygenates selectivities exhibited a volcano shape with the Mn/Fe ratio and the highest value of 69% was obtained at Mn/Fe ratio of 7/3. The oxygenates selectivities were dominated by both the acidity and active oxygen species of catalyst, which could be tuned by Mn/Fe ratio. A close relationship between oxygenates selectivities, acidity, and active oxygen species of catalyst was established. The higher the active oxygen species content and the lower the acidity, the higher the oxygenates selectivities.

要实现更清洁的燃烧,就必须从液体燃料的部分氧化过程中产生含氧化合物。为了通过 FeMn/Al2O3 催化剂上的等离子体催化 n-C5H12 部分氧化提高含氧化合物的生成,研究了锰/铁比率的影响。含氧化合物的选择性随 Mn/Fe 比率的变化呈现出火山状,Mn/Fe 比率为 7/3 时的含氧化合物选择性最高,达到 69%。含氧化合物的选择性受催化剂的酸性和活性氧两种物质的影响,可通过锰/铁比进行调节。氧代物选择性、催化剂的酸度和活性氧之间存在密切关系。活性氧含量越高、酸度越低,氧的选择性就越高。
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引用次数: 0
Mode Transition Induced by Gas Heating Along the Discharge Channel in Capacitively Coupled Atmospheric Pressure Micro Plasma Jets 电容耦合大气压微等离子体射流中沿放电通道的气体加热诱发的模式转换
IF 3.6 3区 物理与天体物理 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-01-12 DOI: 10.1007/s11090-023-10444-6

Abstract

The effects of neutral gas heating along the direction of the gas flow inside the discharge channel of a parallel plate micro atmospheric pressure plasma jet, the COST-jet, on the spatio-temporal dynamics of energetic electrons are investigated by experiments and simulations. The plasma source is driven by a single frequency sinusoidal voltage waveform at 13.56 MHz in helium with an admixture (0.05–0.2%) of nitrogen. Optical emission spectroscopy measurements are applied to determine the spatio-temporally resolved electron impact excitation dynamics from the ground state into the He I (3s) (^3) S (_1) state and the rotational temperature of nitrogen molecules at different positions along the direction of the gas flow inside the 30 mm long discharge channel. The gas temperature, which is assumed to be equal to the N (_2) rotational temperature, is found to increase along the discharge channel. This effect is attenuated as the nitrogen concentration is increased in the gas mixture, leading to an eventually constant temperature profile. The experimental data also reveal a plasma operating mode transition along the discharge channel from the (Omega) - to the Penning-mode and show good agreement with the results of 1d3v kinetic simulations, which spatially resolve the inter-electrode space and use the gas temperature as an input value. The simulations demonstrate that the increase of the gas temperature leads to the observed mode transition. The results suggest the possibility of using the nitrogen admixture and the feed gas temperature as additional control parameters, (i) to tailor the plasma operating mode along the direction of the gas flow so that the production of specific radicals is optimized; and (ii) to control the final gas temperature of the effluent. The latter could be particularly interesting for biological applications, where the upper gas temperature limit is dictated by the rather low thermal damage threshold of the treated material.

摘要 通过实验和模拟,研究了沿平行板微大气压等离子体射流(COST-jet)放电通道内气体流动方向的中性气体加热对高能电子时空动力学的影响。等离子体源由 13.56 MHz 的单频正弦电压波形驱动,在氦气中掺入(0.05-0.2%)氮气。光学发射光谱测量用于确定从基态进入 He I (3s) (^3) S (_1)态的时空分辨电子碰撞激发动力学,以及氮分子在 30 毫米长放电通道内沿气流方向不同位置的旋转温度。假定气体温度等于 N (_2)旋转温度,发现气体温度会沿着放电通道上升。随着气体混合物中氮气浓度的增加,这种效应逐渐减弱,最终形成恒定的温度曲线。实验数据还揭示了沿放电通道从(Omega) - 到潘宁模式的等离子体工作模式转变,并与 1d3v 动力学模拟结果显示出良好的一致性,该模拟对电极间空间进行了空间解析,并使用气体温度作为输入值。模拟结果表明,气体温度的升高会导致观察到的模式转换。结果表明,可以使用氮气混合物和进料气体温度作为额外的控制参数,(i) 沿气体流动方向调整等离子体运行模式,从而优化特定自由基的产生;(ii) 控制流出物的最终气体温度。后者对生物应用特别有意义,因为在生物应用中,气体温度的上限是由被处理材料相当低的热损伤阈值决定的。
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引用次数: 0
Reaction Mechanisms and Plasma-Catalyst Interaction in Plasma-Assisted Oxidation of n-Butane: A Data-Driven Approach 等离子体辅助正丁烷氧化过程中的反应机理和等离子体-催化剂相互作用:数据驱动法
IF 2.6 3区 物理与天体物理 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-01-12 DOI: 10.1007/s11090-023-10443-7
D. Reiser, A. von Keudell

Experimental investigations of n-butane oxidation under atmospheric-pressure plasma conditions and in He-dilution have provided detailed information on the power-dependence of the conversion of (text {C}_{4}text {H}_{10}) into CO and (text {CO}_{2}) at 450 K surface temperature. The rf-plasma discharge has been equipped with a (text {MnO}_{2})-catalyst, and a significant impact on the reaction chain due to the presence of the catalyst surface could be observed. We report on ongoing data-based model development. Recently, a reaction kinetic model has been published, which agrees well with the experimental data (Stewig et al. in Plasma Sources Sci Technol 32:105006, 2023). However, that model could not clearly identify the main mechanisms in the interaction of plasma and catalyst. We show that various models can be found that explain the data similarly well. Detailed sensitivity analysis shows that only a maximum of three parameters can be identified in all the models considered for the currently limited data. Despite this limitation, we intend to continue the data analysis using more general models and introduce possible surface effects. Such unified models simultaneously describe the experimental data from both measurements with and without catalyst using a single set of physical parameters. To evaluate the hypotheses, we present numerical results for certain ranges of experimental parameters, which, in a subsequent experimental verification, allows to exclude or confirm one or another model.

在大气压等离子体条件和氦稀释条件下进行的正丁烷氧化实验研究,提供了在 450 K 表面温度下 (text {C}_{4}text {H}_{10}) 转化为 CO 和 (text {CO}_{2}) 的功率依赖性的详细信息。rf-等离子体放电配备了一个(text {MnO}_{2})催化剂,可以观察到催化剂表面的存在对反应链的显著影响。我们报告了正在进行的基于数据的模型开发。最近发表的反应动力学模型与实验数据十分吻合(Stewig 等人,等离子体源科学与技术 32:105006, 2023)。但是,该模型无法明确等离子体与催化剂相互作用的主要机制。我们的研究表明,各种模型都能很好地解释数据。详细的敏感性分析表明,针对目前有限的数据,所有模型最多只能确定三个参数。尽管存在这种局限性,我们仍打算使用更通用的模型继续进行数据分析,并引入可能的表面效应。这样的统一模型可以同时描述使用和不使用催化剂时的实验数据,只需一组物理参数。为了评估假设,我们给出了某些实验参数范围内的数值结果,以便在随后的实验验证中排除或确认一种或另一种模型。
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引用次数: 0
Generation of Species-Specific High-Strength Plasma Activated Water at Neutral pH and its Antimicrobial Characteristics 在中性 pH 值下生成物种特异性高强度等离子活化水及其抗菌特性
IF 2.6 3区 物理与天体物理 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-01-11 DOI: 10.1007/s11090-023-10439-3
Bhavadharini Boopathy, Debapriya Mukherjee, V. Nishanth, Atish Roy Chowdhury, Dipshikha Chakravortty, Lakshminarayana Rao

Understanding the individual effects of species in plasma activated water (PAW) is indeed necessary for its selective application as an antimicrobial agent. The current study describes a setup and a methodology to generate species-specific high strength PAW at neutral pH. Three types of PAW i.e., ROS-rich PAW (Reactive Oxygen Species-rich Plasma Activated Water), RNS-rich PAbW (Reactive Nitrogen Species- Rich Plasma Activated buffer Water) and hs-PAbW (High strength Plasma Activated buffer Water) were generated in the developed set-up, the concentration of species was measured, shelf-life studies under ambient condition were carried out and each water type was studied for its antimicrobial activity. Results show that, after 60 min of activation, hs-PAbW had ROS and RNS concentrations of 215 mg/l and 650 mg/l respectively. The ROS-rich PAW had ROS and RNS concentration of 218 mg/l and 0 mg/l respectively. The RNS-rich PAbW had ROS and RNS concentration of 16 mg/l and 858 mg/l respectively after 60 min of activation. Antimicrobial studies showed that individual species i.e., high concentrations of ROS alone and high concentrations of RNS alone, were ineffective in achieving microbial degradation, whereas hs-PAbW containing high concentrations of both ROS and RNS showed significant antimicrobial effect. This study marks an important step in generating high concentrations of species-specific PAW, which is crucial to understand the mechanistic pathways of bacterial death in PAW systems.

要选择性地将等离子活化水(PAW)用作抗菌剂,就必须了解等离子活化水(PAW)中物种的个体效应。本研究介绍了在中性 pH 值下生成物种特异性高强度等离子活化水的装置和方法。在开发的装置中生成了三种类型的 PAW,即富含 ROS 的 PAW(富含活性氧的等离子活化水)、富含 RNS 的 PAbW(富含活性氮的等离子活化缓冲水)和 hs-PAbW(高强度等离子活化缓冲水),测量了物种的浓度,进行了环境条件下的货架期研究,并研究了每种水的抗菌活性。结果表明,活化 60 分钟后,hs-PAbW 的 ROS 和 RNS 浓度分别为 215 毫克/升和 650 毫克/升。富含 ROS 的 PAW 的 ROS 和 RNS 浓度分别为 218 毫克/升和 0 毫克/升。活化 60 分钟后,富含 RNS 的 PAbW 的 ROS 和 RNS 浓度分别为 16 毫克/升和 858 毫克/升。抗菌研究表明,单个物种,即高浓度的 ROS 和高浓度的 RNS 都不能有效地实现微生物降解,而同时含有高浓度 ROS 和 RNS 的 hs-PAbW 则显示出显著的抗菌效果。这项研究标志着在生成高浓度物种特异性 PAW 方面迈出了重要一步,这对于了解 PAW 系统中细菌死亡的机理途径至关重要。
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引用次数: 0
In-Situ FTIR and Laser Induced Fluorescence RONS Characterization of Atmospheric Pressure Nanosecond-Pulsed Surface DBD Plasma for Indirect Treatments of E. Coli 用于间接处理大肠杆菌的常压纳秒脉冲表面 DBD 等离子体的原位傅立叶变换红外光谱和激光诱导荧光 RONS 表征
IF 2.6 3区 物理与天体物理 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-01-08 DOI: 10.1007/s11090-023-10442-8
Lorenzo Ibba, Rita Agus, Fabio Avino, Ivo Furno, Paolo F. Ambrico

We study the bactericidal efficacy of surface dielectric barrier discharge low-temperature plasma treatments, powered by nanosecond high voltage pulses. We achieve (sim )4-log reduction in Escherichia coli population, after 10 min treatments, at a distance of 1.5 cm from the plasma surface. To investigate the reactive oxygen and nitrogen species (RONS) responsible for the bactericidal effect, we employ in-situ fourier transform infrared (FTIR) spectroscopy to measure a selection of relevant species, such as O(_3), NO(_2), N(_2)O and N(_2)O(_5). The measurements are taken under various relative humidity conditions to replicate the bacteria treatment environment. While RONS originating from nitrogen chemistry are detected, nitric oxide (NO), a pivotal molecule in nitrate production, is absent due to the sensitivity limitations of FTIR detection. To overcome this limitation, we employ laser induced fluorescence utilizing a picosecond-pulsed laser to measure the kinetics of NO produced by the plasma. Our results show that the NO concentration is smaller than 1 ppm and primarily localized near the plasma surface, with concentrations increasing proportionally with relative humidity. Notably, at a distance of 1.5 cm from the plasma surface, at which the E. coli is treated, the concentration of NO falls below 50 ppb. Although NO is pivotal in generating secondary reactive species within the plasma, our results suggest that it does not directly contribute to the bacteria inactivation process. Instead, other molecules, such as O(_3), NO(_2), and N(_2)O, which are found in higher concentrations, may be responsible for the bactericidal properties observed in indirect plasma treatments.

摘要 我们研究了纳秒高压脉冲驱动的表面介质阻挡放电低温等离子体的杀菌效果。在距离等离子体表面 1.5 厘米处,经过 10 分钟处理后,我们发现大肠杆菌的数量减少了 4 个菌落。为了研究造成杀菌效果的活性氧和氮物种(RONS),我们采用了原位傅立叶变换红外(FTIR)光谱来测量一些相关物种,如 O (_3)、NO (_2)、N (_2)O 和 N (_2)O (_5)。测量是在各种相对湿度条件下进行的,以复制细菌处理环境。虽然检测到了源于氮化学的 RONS,但由于傅立叶变换红外检测的灵敏度限制,没有检测到硝酸盐生成过程中的关键分子一氧化氮(NO)。为了克服这一限制,我们利用皮秒脉冲激光诱导荧光来测量等离子体产生一氧化氮的动力学。我们的结果表明,氮氧化物的浓度小于 1 ppm,主要集中在等离子体表面附近,浓度随相对湿度成比例增加。值得注意的是,在距离等离子体表面 1.5 厘米处,即处理大肠杆菌的地方,NO 的浓度低于 50 ppb。虽然氮氧化物在等离子体内产生二次反应物方面起着关键作用,但我们的研究结果表明,它并不直接参与细菌的灭活过程。相反,在间接血浆处理中观察到的杀菌特性可能是由其他分子造成的,如浓度较高的 O (_3)、NO (_2)和 N (_2)O。
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引用次数: 0
Transport Cross Sections and Collision Integrals for O((^{3})P)–O((^{3})P) Interaction O( $$^{3}$ P)-O( $$^{3}$ P)相互作用的输运截面和碰撞积分
IF 2.6 3区 物理与天体物理 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-01-08 DOI: 10.1007/s11090-023-10441-9
Marcin Buchowiecki, Péter Szabó

New collision integrals and transport cross sections for O((^{3})P)–O((^{3})P) interaction are reported in the 300–30000 K range. Those values are based on a new set of potential energy curves (PECs) calculated with the multireference configuration interaction method. The results of the classical and semiclassical WKB (Wentzel–Kramers–Brillouin) methods are compared, excellent performance of the classical approach is shown (discrepancy much lower than 1% even at room temperature). In particular, the classical and WKB methods agree very well for the repulsive potentials effectively reducing overall uncertainty.

报告了300-30000 K范围内O((^{3})P)-O((^{3})P)相互作用的新碰撞积分和传输截面。这些数值是基于用多参量构型相互作用方法计算的一组新的势能曲线(PECs)得出的。对经典方法和半经典 WKB(Wentzel-Kramers-Brillouin)方法的结果进行了比较,结果表明经典方法具有卓越的性能(即使在室温下,差异也远远低于 1%)。特别是,经典方法和 WKB 方法在斥力势方面非常一致,有效地减少了总体不确定性。
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引用次数: 0
期刊
Plasma Chemistry and Plasma Processing
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