Real gas effect on ignition in ideal and non-ideal reactors

IF 1.7 4区 工程技术 Q3 MECHANICS
I. Farias, Z. Weng, R. Mével
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引用次数: 1

Abstract

We studied the real gas effect on the ignition characteristics in chemical reactors with one-step irreversible reaction. The real gas effects were characterized by the inter-molecular attraction term (\(\alpha \)) and the finite molecular volume term (\(\beta \)). The Noble-Abel and van der Waals equations of state were employed to derive non-dimensional reactor models. In addition to ideal reactors, i.e., constant volume and constant pressure, non-ideal reactors that account for the non-ideal pressure variation in shock tube and rapid compression machine were also considered. For all reactors, low value of \(\alpha /\beta \) and high value of \(\beta \) (approximately \(\alpha /\beta <{{1.0}}\) and \(\beta >{{0.1}}\)) induce a decrease of the ignition delay-time, while high value of both \(\alpha /\beta \) and \(\beta \) (approximately \(\alpha /\beta >{{2.0}}\) and \(\beta >{{0.1}}\)) induces an increase of the ignition delay-time. The variations of the ignition delay-time induced by real gas effects are mainly related to the change of the fugacity coefficient with \(\alpha \) and \(\beta \). Additional contributions are due to the real gas heat capacity at constant pressure when considering a constant pressure reactor and to non-ideal volume variation when considering non-ideal reactors. The impact of various parameters was also investigated, including the heat capacity ratio of perfect gas, the reduced activation energy of the one-step reaction, and the heat content of the mixtures. Comparison with simulation performed with detailed reaction mechanisms and considering real gas models demonstrates that the present approach constitutes a rapid and simple, yet qualitatively or even quantitatively accurate method to assess the need of accounting for real gas effects to model chemical kinetics under high-pressure conditions.

Abstract Image

理想和非理想反应器中实际气体对点火的影响
研究了一步不可逆反应中真实气体对化学反应器着火特性的影响。实际气体效应由分子间引力项(\(\alpha \))和有限分子体积项(\(\beta \))表征。利用Noble-Abel和van der Waals状态方程推导了无量纲反应堆模型。除了理想反应器,即定容定压外,还考虑了激波管和快速压缩机中造成非理想压力变化的非理想反应器。对于所有反应堆来说,低\(\alpha /\beta \)值和高\(\beta \)值(约为\(\alpha /\beta <{{1.0}}\)和\(\beta >{{0.1}}\))导致点火延迟时间减少,高\(\alpha /\beta \)和\(\beta \)值(约为\(\alpha /\beta >{{2.0}}\)和\(\beta >{{0.1}}\))导致点火延迟时间增加。实际气体效应引起的点火延迟时间的变化主要与逸度系数\(\alpha \)和\(\beta \)的变化有关。当考虑定压反应器时,额外的贡献是由于恒压下的实际气体热容量,当考虑非理想反应器时,是非理想体积变化。考察了理想气体的热容比、一步反应的还原活化能、混合物的热含量等参数对反应的影响。与详细反应机理的模拟和考虑真实气体模型的模拟比较表明,本方法是一种快速、简单、定性甚至定量准确的方法,可以评估在模拟高压条件下化学动力学时考虑真实气体效应的必要性。
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来源期刊
Shock Waves
Shock Waves 物理-力学
CiteScore
4.10
自引率
9.10%
发文量
41
审稿时长
17.4 months
期刊介绍: Shock Waves provides a forum for presenting and discussing new results in all fields where shock and detonation phenomena play a role. The journal addresses physicists, engineers and applied mathematicians working on theoretical, experimental or numerical issues, including diagnostics and flow visualization. The research fields considered include, but are not limited to, aero- and gas dynamics, acoustics, physical chemistry, condensed matter and plasmas, with applications encompassing materials sciences, space sciences, geosciences, life sciences and medicine. Of particular interest are contributions which provide insights into fundamental aspects of the techniques that are relevant to more than one specific research community. The journal publishes scholarly research papers, invited review articles and short notes, as well as comments on papers already published in this journal. Occasionally concise meeting reports of interest to the Shock Waves community are published.
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