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热对A + B → C反应前沿周围化学诱导的马兰戈尼对流的影响。

Thermal effects on chemically induced Marangoni convection around A + B → C reaction fronts.

作者信息

Bigaj A, Upadhyay V, Rongy L

机构信息

Nonlinear Physical Chemistry Unit, Faculté des Sciences, Université libre de Bruxelles (ULB), CP231, 1050 Brussels, Belgium.

出版信息

J Chem Phys. 2024 Feb 14;160(6). doi: 10.1063/5.0187785.

Abstract

Chemical reactions can induce Marangoni flows by changing the surface tension of a solution open to the air, either by changing the composition and/or by modifying the temperature. We consider the case of a simple A + B → C reaction front propagating in a thin horizontal system open to air. The effect of the three chemical species on the surface tension of the aqueous solution is quantified by three solutal Marangoni numbers, while the effect of temperature changes is determined by the thermal Marangoni number. By integrating numerically the incompressible Navier-Stokes equations coupled to reaction-diffusion-convection equations for the chemical concentrations and temperature taking into account the Lewis number (ratio between heat and mass diffusivities), we emphasize the importance of thermal changes occurring due to the heat of reaction on the dynamics of chemically induced Marangoni convection. Based on the reaction-diffusion profiles of concentrations and temperature, asymptotic analytical solutions for the surface tension profiles are obtained and classified as a function of the Marangoni numbers and the Lewis number. This new classification allows for the prediction of the convective patterns in thermo-solutal Marangoni flows. The analytical predictions are further confirmed by numerical results and additional extrema in surface tension profiles induced by the thermal effects are found to affect the nonlinear dynamics.

摘要

化学反应可以通过改变暴露于空气中的溶液的表面张力来诱导马兰戈尼流动,这可以通过改变成分和/或改变温度来实现。我们考虑一个简单的A + B → C反应前沿在一个薄的水平系统中向空气中传播的情况。三种化学物质对水溶液表面张力的影响由三个溶质马兰戈尼数来量化,而温度变化的影响由热马兰戈尼数来确定。通过数值积分不可压缩的纳维-斯托克斯方程与化学浓度和温度的反应-扩散-对流方程,并考虑路易斯数(热扩散率与质量扩散率之比),我们强调了由于反应热而发生的热变化对化学诱导马兰戈尼对流动力学的重要性。基于浓度和温度的反应-扩散分布,得到了表面张力分布的渐近解析解,并根据马兰戈尼数和路易斯数进行了分类。这种新的分类方法可以预测热溶质马兰戈尼流动中的对流模式。数值结果进一步证实了分析预测,并且发现由热效应引起的表面张力分布中的额外极值会影响非线性动力学。

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