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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Re-evaluation of the Pressure Effect for Nucleation in Laminar Flow Diffusion Chamber Experiments with Fluent and the Fine Particle Model
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Re-evaluation of the Pressure Effect for Nucleation in Laminar Flow Diffusion Chamber Experiments with Fluent and the Fine Particle Model

机译：用Fluent和细颗粒模型重新评估层流扩散室实验中成核的压力效应

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摘要

This study is an investigation of the effect of total pressure on homogeneous nucleation rates of n-butanol in helium and n-pentanol in helium and argon in a laminar flow diffusion chamber (LFDC). To verify earlier findings, experimental data was re-evaluated using the computational fluid dynamics (CFD) software FLUENT in combination with the fine particle model (FPM) for aerosol dynamics calculations. This approach has been introduced in an earlier paper [Herrmann, E.; Lihavainen, H.; Hyvarinen, A.-P.; Riipinen, I.; Wilck, M.; Stratmann, F.; Kulmala, M. J. Pkys. Chem. A 2006, 110, 12448]. As a result of our evaluation, a flaw in the femtube2 code was found which had been used in the original data analysis [Hyvarinen, A.-P.; Brus, D.; Zdimal, V.; Smolik J.; Kulmala, M.; Viisanen, Y.; Lihavainen, H. J. Chem. Phys. 2006, 124, 224304]. The FLUENT analysis yielded a weak positive pressure effect for the nucleation of n-butanol in helium at low nucleation temperatures (265-270 K). n-Pentanol in helium showed a positive pressure effect at all temperatures (265-290 K), while the effect for the nucleation of n-pentanol in argon was negative at high temperatures (280 and 285 K) and positive at lower nucleation temperatures (265 K). These findings support results gained with the corrected femtube2 model. In this study, we also carried out a detailed comparison of FLUENT and femtube2 modeling results, especially focusing on the calculation of temperature and saturation ratio at nucleation rate maximum (T-nuc and S-nuc, respectively) in both models.
机译：这项研究是调查层流扩散室（LFDC）中总压力对氦气中正丁醇和氦气和氩气中正戊醇均相成核速率的影响。为了验证较早的发现，使用计算流体动力学（CFD）软件FLUENT结合细颗粒模型（FPM）进行了气溶胶动力学计算，对实验数据进行了重新评估。这种方法已在较早的论文中提出[Herrmann，E .; Lihavainen，H。 Hyvarinen，A.-P .;里皮宁，I .;威尔克F.斯特拉特曼;库尔马拉，M。J. Pkys。化学A 2006，110，12448]。根据我们的评估结果，发现femtube2代码存在缺陷，该缺陷已用于原始数据分析中[Hyvarinen，A.-P .;布鲁斯（D. Zdimal，V。 Smolik J .; M.库尔马拉; Y. Viisanen; Lihavainen，H. J. Chem。物理2006，124，224304]。在低成核温度（265-270 K）下，FLUENT分析对氦气中正丁醇的成核产生了弱的正压效应。氦气中的正戊醇在所有温度下（265-290 K）均显示正压效应，而氩气中正戊醇的成核作用在高温（280和285 K）下为负，而在较低的成核温度下则为正压（ 265 K）。这些发现支持使用校正后的femtube2模型获得的结果。在这项研究中，我们还对FLUENT和femtube2建模结果进行了详细比较，尤其着重于两个模型中成核速率最大值（分别为T-nuc和S-nuc）的温度和饱和比的计算。

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