反应性双射流中标量输运和化学反应特性

doi:10.11949/0438-1157.20211560

摘要/Abstract

摘要：

基于OpenFOAM中pimpleFoam求解器对具有二级非平衡基元反应(A+B $→$ R)的双平行平面射流中流动-化学反应耦合过程进行数值模拟，研究了不同射流口间距下反应物、生成物浓度标量在流场中心线上的产生、消耗和输运行为。首先将反应性单射流模拟结果与前人实验研究和数值模拟结果进行对比，验证了数值算法的精确性。结果表明：(1) 两股射流在准滞止点和混合点的行为直接影响着化学反应。(2) 射流相互作用尺度x_* 可以预测不同射流口间距下反应物和产物的湍流标量统计量。(3) 在Da=0.1且Sc=0.71时，反应物和产物由对流过程主导输运。(4) 反应物和产物浓度脉动之间的联合概率密度分布(joint probability distribution function，JPDF)呈“心形”，其说明反应物A和反应物B的瞬时浓度在时均值时将有利于化学反应的发生。

关键词: 双射流, 化学反应, 标量输运, 湍流, 计算流体力学

Abstract:

Based on the pimpleFoam solver in OpenFOAM, the flow-reaction coupling process of the dual parallel plane jets with a second order non-equilibrium elementary reaction (A+B $→$ R) is numerically investigated. More specifically, the production, consumption and transportation behaviors of reactive dual jets along the centerline with different jet separation distances are considered. The simulation results of a single reactive jet are compared with the corresponding previous experimental and numerical results to verify the accuracy of the numerical algorithm adopted. The main conclusions are as follows: (1) The behavior of the two jets at the quasi-stagnation point and the mixing point directly affects the chemical reaction. (2) Jet interaction length scales can effectively predict the statistics of the reactant and product terms of jet interactions under different jet separation distances. (3) When Da=0.1 and Sc=0.71, the transport of reactants and products is dominated by the convective process. (4) The joint probability distribution function (JPDF) between the instantaneous concentrations of the reactant and product terms is “heart-shaped”, and generally speaking, the circumstances that instantaneous concentrations of reactant A and reactant B are close to the average value, are associated with high rates of chemical reactions.

Key words: dual jets, chemical reaction, scalar transport, turbulent flow, CFD

中图分类号:

O 358

李岩, 田阿慧, 周毅. 反应性双射流中标量输运和化学反应特性[J]. 化工学报, 2022, 73(5): 1947-1963.

Yan LI, Ahui TIAN, Yi ZHOU. Characteristics of scalar transport and chemical reaction in reactive dual jets[J]. CIESC Journal, 2022, 73(5): 1947-1963.

图/表 28

图1 数值模拟示意图

Fig.1 Schematic diagram of the simulation

表1 反应性双射流计算参数及节点设置

Table 1 Simulation parameters and node settings of reactive dual jets

Run	Re_d	U_A/U_J	Γ_A0/Γ_B0	Da	L_d /d	L_x /d	L_y /d	L_z /d	N_x	N_y	N_z
J4	2000	0.1	2	0.1	4	40	120	8	251	601	41
J6	2000	0.1	2	0.1	6	40	120	8	251	601	41
J8	2000	0.1	2	0.1	8	40	120	8	251	601	41

图2 单束反应射流无量纲平均流向速度法向分布

Fig.2 Vertical distribution of normalized mean streamwise velocity of a reactive jet

图3 单束反应射流无量纲速度脉动均方根法向分布

Fig.3 Vertical distribution of normalized turbulence rms value of a reactive jet

图4 单束反应射流无量纲平均混合浓度分数和混合浓度分数脉动均方根法向分布

Fig.4 Vertical distribution of mean mixture fraction and mixture fraction fluctuation rms of a reactive jet

图5 双射流流场结构图

Fig.5 Structure diagram of dual jet flow field

图6 中心线上平均流向速度流向演化

Fig.6 Streamwise evolution of the mean streamwise velocity along the center line

表2 三种射流口间距下准滞止点位置xqsp、混合点位置xmp和合并点位置xcp

Table 2 The quasi stagnation point xqsp， locations of the merge point xmp， and the combine point xcp in the three cases of different jet separation distances

Run	L_d /d	x_qsp/d	x_mp/d	x_cp/d
J4	4	4	5.7	14
J6	6	6	8.5	20
J8	8	8	11.9	28

图7 中心线上流场统计特性流向演化

Fig.7 Streamwise evolution of the flow characteristics along the center line

图8 反应物A的瞬时浓度和平均浓度

Fig.8 Instantaneous concentration and mean concentration of reactant A

图9 反应物B的瞬时浓度和平均浓度

Fig.9 Instantaneous concentration and mean concentration of reactant B

图10 生成物R的瞬时浓度和平均浓度

Fig.10 Instantaneous concentration and mean concentration of product R

图11 瞬时化学反应速率

Fig.11 Instantaneous chemical reaction rate

图12 中心线上平均反应物浓度和平均产物浓度流向演化

Fig.12 Streamwise evolution of the mean concentration of reactant and product along the center line

图13 中心线上反应物浓度脉动均方根和产物浓度脉动均方根流向演化

Fig.13 Streamwise evolution of concentration fluctuation rms value of reactant and product along the center line

图14 反应物A和反应物B平均浓度沿着中心线上x/x* 的流向演化

Fig.14 Streamwise evolution of the mean concentration of reactant A and reactant B along x/x* on the center line

图15 反应物A和反应物B浓度脉动均方根沿着中心线上x/x* 的流向演化

Fig.15 Streamwise evolution of reactant A and reactant B concentration fluctuation rms value along x/x* on the center line

图16 产物R平均浓度和浓度脉动均方根沿着中心线上x/x* 的流向演化

Fig.16 Streamwise evolution of concentration and concentration fluctuation rms value of product R along x/x* on the center line

表3 无量纲射流相互作用尺度x?、反应物浓度脉动均方根峰值位置xpeak和产物浓度脉动均方根峰值位置xpeak1、xpeak2

Table 3 Normalized wake-interaction scale x?， locations of reactant concentration fluctuation rms peak xpeak and product concentration fluctuation rms peakxpeak1， xpeak2

Run	x_*/d	x_* /x_*1	x_peak/d	x_peak/x_peak,1	x_peak₁/d	x_peak₁/x_peak_1,1	x_peak₂/d	x_peak₂/x_peak_2,1
J4	4	1	9	1	3.8	1	5.2	1
J6	6	1.5	13	1.4	6	1.6	8.2	1.6
J8	8	2	17	1.9	7.8	2.1	11.5	2.2

图17 反应物标量输运方程各项沿着中心线的瞬时流向演化

Fig.17 Streamwise evolution of the instantaneous terms in reactant scalar transport equation along the center line

图18 产物标量输运方程各项沿着中心线的瞬时流向演化

Fig.18 Streamwise evolution of the instantaneous terms in product scalar transport equation along the center line

图19 化学反应输运方程各项间相关系数沿着中心线的流向演化

Fig.19 Streamwise evolution of the correlation coefficient between items of the chemical reaction transport equation along the center line

图20 AtR-〈AtR〉和AR-〈AR〉在x/d = 10，20和30处的联合概率密度分布

Fig.20 JPDF of AtR-〈AtR〉 and AR-〈AR〉 at x/d = 10, 20, and 30

图21 DR-〈DR〉和SR-〈SR〉在x/d = 10， 20和30处的联合概率密度分布

Fig.21 JPDF of DR-〈DR〉 and SR-〈SR〉 at x/d = 10, 20, and 30

图22 化学反应标量输运方程中各项平均值沿着中心线的流向演化

Fig.22 Streamwise evolution of the mean value of each term in chemical reaction scalar transport equation along the center line

图23 组分浓度间相关系数沿着中心线的流向演化

Fig.23 Streamwise evolution of the correlation coefficient between the component concentrations along the center line

图24 反应物输运方程中对流项AA和AB间相关系数ρ(AA, AB) 沿着中心线的流向演化

Fig.24 Streamwise evolution of the correlation coefficient ρ(AA, AB) between the advection term AA and AB in the transport equation of reactant along the center line

图25 ΓA-〈ΓA〉和ΓR-〈ΓR〉在x/d = 10， 20和 30处的联合概率密度分布

Fig.25 JPDF of ΓA-〈ΓA〉and ΓR-〈ΓR〉 at x/d = 10, 20, and 30

参考文献 33

1	Tennekes H, Lumley J L. A First Course in Turbulence[M]. Boston, America: The MIT Press, 1972.
2	Anderson E, Snyder D, Christensen J. Experimental investigation of periodic behavior between parallel planar jets[C]//40th AIAA Aerospace Sciences Meeting & Exhibit. Reno.: AIAA, 2002: 730.
3	Bunderson N E, Smith B L. Passive mixing control of plane parallel jets[J]. Experiments in Fluids, 2005, 39(1): 66-74.
4	刘鹏远, 张海, 吴玉新, 等. 喷口间距对双矩形平行射流流场的影响[J]. 化工学报, 2017, 68(10): 3708-3716.
	Liu P Y, Zhang H, Wu Y X, et al. Influence of nozzle spacing on mixing behavior of two parallel jets from rectangular nozzles[J]. CIESC Journal, 2017, 68(10): 3708-3716.
5	Zhou Y, Nagata K, Sakai Y, et al. Dual-plane turbulent jets and their non-Gaussian velocity fluctuations[J]. Physical Review Fluids, 2018, 3(12): 124604.
6	Miller D R, Comings E W. Force-momentum fields in a dual-jet flow[J]. Journal of Fluid Mechanics, 1960, 7(2): 237-256.
7	Tanaka E. The interference of two-dimensional parallel jets: 2nd report, experiments on the combined flow of dual jet[J]. Bulletin of JSME, 1974, 17(109): 920-927.
8	Liu P Y, Zhang H, Wu Y X, et al. Experimental study on the flow interaction of two parallel rectangular jets through exits with sudden contraction[J]. Experimental Thermal and Fluid Science, 2017, 88: 622-631.
9	Mondal T, Das M K, Guha A. Periodic vortex shedding phenomenon for various separation distances between two plane turbulent parallel jets[J]. International Journal of Heat and Mass Transfer, 2016, 99: 576-588.
10	Li Y M, Li B K, Qi F S, et al. Numerical investigation of the interaction of the turbulent dual-jet and acoustic propagation[J]. Chinese Physics B, 2017, 26(2): 024701.
11	Stapountzis H, Westerweel J, Bessem J M, et al. Measurement of product concentration of two parallel reactive jets using digital image processing[J]. Applied Scientific Research, 1992, 49(3): 245-259.
12	Soltys M A, Crimaldi J P. Joint probabilities and mixing of isolated scalars emitted from parallel jets[J]. Journal of Fluid Mechanics, 2015, 769: 130-153.
13	Watanabe T, Sakai Y, Nagata K, et al. Experimental study on the reaction rate of a second-order chemical reaction in a planar liquid jet[J]. AIChE Journal, 2014, 60(11): 3969-3988.
14	Cai J, Dinger M J, Li W, et al. Experimental study of three-scalar mixing in a turbulent coaxial jet[J]. Journal of Fluid Mechanics, 2011, 685: 495-531.
15	DesJardin P E, Frankel S H. Large eddy simulation of a nonpremixed reacting jet: application and assessment of subgrid-scale combustion models[J]. Physics of Fluids, 1998, 10(9): 2298-2314.
16	Watanabe T, Sakai Y, Nagata K, et al. Reactive scalar field near the turbulent/non-turbulent interface in a planar jet with a second-order chemical reaction[J]. Physics of Fluids, 2014, 26(10): 105111.
17	Watanabe T, Sakai Y, Nagata K, et al. Visualization of turbulent reactive jet by using direct numerical simulation[J]. International Journal of Modeling, Simulation, and Scientific Computing, 2013, 4(supp01): 1341001.
18	Watanabe T, Sakai Y, Nagata K, et al. LES-Lagrangian particle method for turbulent reactive flows based on the approximate deconvolution model and mixing model[J]. Journal of Computational Physics, 2015, 294: 127-148.
19	刘君, 张涵信, 高树椿. 一种新型的计算化学非平衡流动的解耦方法[J]. 国防科技大学学报, 2000, 22(5):19-22.
	Liu J, Zhang H X, Gao S C. A new uncoupled method for numerical simulation of nonequilibrium flow[J]. Journal of National University of Defense Technology, 2000, 22(5):19-22.
20	李卓毅, 张会强. 甲烷一维层流预混火焰的详细和单步反应机理模拟[J]. 清华大学学报(自然科学版), 2005, 45(11): 1510-1512, 1517.
	Li Z Y, Zhang H Q. Numerical simulations of one-dimensional laminar premixed CH₄/air flames using the detailed and one-step reaction mechanisms[J]. Journal of Tsinghua University (Science and Technology), 2005, 45(11):1510-1512, 1517.
21	Toor H L. Mass transfer in dilute turbulent and non-turbulent systems with rapid irreversible reactions and equal diffusivities[J]. AIChE Journal, 1962, 8(1): 70-78.
22	Bilger R W. The structure of diffusion flames[J]. Combustion Science and Technology, 1976, 13(1/2/3/4/5/6): 155-170.
23	Klein M, Sadiki A, Janicka J. A digital filter based generation of inflow data for spatially developing direct numerical or large eddy simulations[J]. Journal of Computational Physics, 2003, 186(2): 652-665.
24	Stanley S A, Sarkar S, Mellado J P. A study of the flow-field evolution and mixing in a planar turbulent jet using direct numerical simulation[J]. Journal of Fluid Mechanics, 2002, 450: 377-407.
25	Gutmark E, Wygnanski I. The planar turbulent jet[J]. Journal of Fluid Mechanics, 1976, 73(3): 465-495.
26	Ramaprian B R, Chandrasekhara M S. LDA measurements in plane turbulent jets[J]. Journal of Fluids Engineering, 1985, 107: 264-271.
27	Thomas F O, Prakash K M K. An experimental investigation of the natural transition of an untuned planar jet[J]. Physics of Fluids A: Fluid Dynamics, 1991, 3(1): 90-105.
28	da Silva C B, Métais O. On the influence of coherent structures upon interscale interactions in turbulent plane jets[J]. Journal of Fluid Mechanics, 2002, 473: 103-145.
29	da Silva C B, Pereira J C F. The effect of subgrid-scale models on the vortices computed from large-eddy simulations[J]. Physics of Fluids, 2004, 16(12): 4506-4534.
30	da Silva C B, Pereira J C F. Invariants of the velocity-gradient, rate-of-strain, and rate-of-rotation tensors across the turbulent/nonturbulent interface in jets[J]. Physics of Fluids, 2008, 20(5): 055101.
31	Li H, Anand N K, Hassan Y A, et al. Large eddy simulations of the turbulent flows of twin parallel jets[J]. International Journal of Heat and Mass Transfer, 2019, 129: 1263-1273.
32	Hao K L, Tian A H, Zhou Y. Characteristics of small-scale motions in a dual-plane jet flow[J]. International Journal of Heat and Fluid Flow, 2021, 91: 108851.
33	Zhou Y, Nagata K, Sakai Y, et al. Energy transfer in turbulent flows behind two side-by-side square cylinders[J]. Journal of Fluid Mechanics, 2020, 903:A4.

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