scholarly journals Error induced by neglecting subgrid chemical segregation due to inefficient turbulent mixing in regional chemical-transport models in urban environments

2021 ◽  
Vol 21 (1) ◽  
pp. 483-503
Author(s):  
Cathy W. Y. Li ◽  
Guy P. Brasseur ◽  
Hauke Schmidt ◽  
Juan Pedro Mellado
Keyword(s):  
Boundary Layer ◽  
Chemical Reaction ◽  
Turbulent Mixing ◽  
Reaction Rate ◽  
Chemical Transport ◽  
Urban Environments ◽  
Transport Models ◽  
Chemical Transport Models ◽  
Chemical Segregation ◽  
Chemical Reaction Rate

Abstract. We employed direct numerical simulations to estimate the error on chemical calculation in simulations with regional chemical-transport models induced by neglecting subgrid chemical segregation due to inefficient turbulent mixing in an urban boundary layer with strong and heterogeneously distributed surface emissions. In simulations of initially segregated reactive species with an entrainment-emission configuration with an A–B–C second-order chemical scheme, urban surface emission fluxes of the homogeneously emitted tracer A result in a very large segregation between the tracers and hence a very large overestimation of the effective chemical reaction rate in a complete-mixing model. This large effect can be indicated by a large Damköhler number (Da) of the limiting reactant. With heterogeneous surface emissions of the two reactants, the resultant normalised boundary-layer-averaged effective chemical reaction rate is found to be in a Gaussian function of Da, and it is increasingly overestimated by the imposed rate with an increased horizontal scale of emission heterogeneity. Coarse-grid models with resolutions commensurable to regional models give reduced yet still significant errors for all simulations with homogeneous emissions. Such model improvement is more sensitive to the increased vertical resolution. However, such improvement cannot be seen for simulations with heterogeneous emissions when the horizontal resolution of the model cannot resolve emission heterogeneity. This work highlights particular conditions in which the ability to resolve chemical segregation is especially important when modelling urban environments.

scholarly journals Error induced by neglecting subgrid chemical segregation due to inefficient turbulent mixing in regional chemical-transport models in urban environments

2020 ◽  
Author(s):  
Cathy W. Y. Li ◽  
Guy P. Brasseur ◽  
Hauke Schmidt ◽  
Juan Pedro Mellado
Keyword(s):  
Boundary Layer ◽  
Chemical Reaction ◽  
Turbulent Mixing ◽  
Reaction Rate ◽  
Chemical Transport ◽  
Urban Environments ◽  
Transport Models ◽  
Chemical Transport Models ◽  
Chemical Segregation ◽  
Chemical Reaction Rate

Abstract. We employed direct numerical simulations to estimate the error on chemical calculation in simulations with regional chemical-transport models induced by neglecting subgrid chemical segregation due to inefficient turbulent mixing in an urban boundary layer with strong and heterogeneously-distributed surface emissions. In simulations of initially-segregated reactive species with an entrainment-emission configuration with an A–B–C second-order chemical scheme, urban surface emission fluxes of the homogeneously-emitted Tracer A result in a very large segregation between the tracers and hence a very large overestimation of the effective chemical reaction rate in a complete-mixing model. This large effect can be indicated by a large Damköhler number (Da) of the limiting reactant. With heterogeneous surface emissions of the two reactants, the resultant normalised boundary layer-averaged effective chemical reaction rate is found to be in a Gaussian function of Da, and is increasingly overestimated by the imposed rate with an increased horizontal scale of emission heterogeneity. Coarse-grid models with resolutions commensurable to regional models give reduced yet still significant errors for all simulations with homogeneous emissions. Such model improvement is more sensitive to the increased vertical resolution. However, such improvement cannot be seen for simulations with heterogeneous emissions when the horizontal resolution of the model cannot resolve emission heterogeneity. This work highlights particular conditions in which the ability to resolve chemical segregation is especially important when modelling urban environments.

scholarly journals Finite Element Method Solution of Boundary Layer Flow of Powell-Eyring Nanofluid over a Nonlinear Stretching Surface

2019 ◽  
Vol 2019 ◽  
pp. 1-16 ◽  
Author(s):  
Wubshet Ibrahim ◽  
Gosa Gadisa
Keyword(s):  
Boundary Layer ◽  
Finite Element Method ◽  
Chemical Reaction ◽  
Transfer Rate ◽  
Reaction Rate ◽  
Stretching Surface ◽  
Chemical Reaction Rate ◽  
Heat Generation Or Absorption ◽  
Layer Flow ◽  
Nonlinear Stretching

The nonlinear convective flow of Eyring-Powell nanofluid using Catteneo-Christov model with heat generation or absorption term and chemical reaction rate over nonlinear stretching surface is analyzed. The simultaneous nonlinear partial differential equations governing the boundary layer flow are transformed to the corresponding nonlinear ordinary differential equations using similarity solution and then solved using Galerkin finite element method (GFEM). The impacts of pertinent governing parameters like Brownian diffusion, thermophoresis, mixed convection, heat generation or absorption, chemical reaction rate, Deborah numbers, Prandtl number, magnetic field parameter, Lewis number, nonlinear stretching sheet, and Eyring-Powell fluid parameters on velocity field, temperature, and nanoparticle concentration are given in both figures and tabular form. The result shows that the rise in chemical reaction rate will improve mass transfer rate and reduce heat transfer rate and local buoyancy parameter has quit opposite effect. The attributes of local skin friction coefficient, Nusselt number, and Sheer wood number are investigated and validated with existing literatures.

Air quality forecasting system based on chemical transport models

2019 ◽  
Vol 4 ◽  
pp. 203-218
Author(s):  
I.N. Kusnetsova ◽  
◽  
I.U. Shalygina ◽  
M.I. Nahaev ◽  
U.V. Tkacheva ◽  
...  
Keyword(s):  
Air Quality ◽  
Chemical Transport ◽  
Transport Models ◽  
Chemical Transport Models ◽  
Forecasting System ◽  
Air Quality Forecasting

Machine learning based bias correction for numerical chemical transport models

2021 ◽  
Vol 248 ◽  
pp. 118022
Author(s):  
Min Xu ◽  
Jianbing Jin ◽  
Guoqiang Wang ◽  
Arjo Segers ◽  
Tuo Deng ◽  
...  
Keyword(s):  
Machine Learning ◽  
Bias Correction ◽  
Chemical Transport ◽  
Transport Models ◽  
Chemical Transport Models

Diffusion and Mixing in Microchannel Analyzed by the Luminol Chemiluminescence

2013 ◽  
Author(s):  
Ruru Matsuo ◽  
Ryosuke Matsumoto
Keyword(s):  
Numerical Simulation ◽  
Chemical Reaction ◽  
Reaction Rate ◽  
Mixing Layer ◽  
Fluorescence Technique ◽  
Chemiluminescence Intensity ◽  
Luminol Chemiluminescence ◽  
Chemical Reaction Rate ◽  
Pdms Chip ◽  
Reaction Profile

This study focused on the diffusion and mixing phenomena investigated by using luminol chemiluminescence (CL) to estimate the local chemical reaction rate in the T-junction microchannel. Generally, the degree of mixing in microchannel is calculated by the deviation of the obtained concentration profiles from the uniform concentration profile by using fluorescence technique. Thus, the degree of mixing is a macroscopic estimate for the whole microchannel, which is inappropriate for understanding the diffusion and mixing phenomena in the mixing layer. In this study, the luminol CL reaction is applied to visualize the local chemical reaction and to estimate the local diffusion and mixing phenomena at an interface between two liquids in microchannel. Luminol emits blue chemiluminescence when it reacts with the hydrogen peroxide at the mixing layer. Experiments were carried out on the T-junction microchannel with 200 microns in width and 50 microns in depth casted in the PDMS chip. The chemiluminescence intensity profiles clearly show the mixing layer at an interface between two liquids. The experimental results are compared with the results of numerical simulation that involves solving the mass transport equations including the chemical reaction term. By calibrating CL intensity to the chemical reaction rate estimated by the numerical simulation, the local chemical reaction profile can be quantitatively estimated from the CL intensity profile.

scholarly journals Skill-Testing Chemical Transport Models across Contrasting Atmospheric Mixing States Using Radon-222

2018 ◽  
Author(s):  
Scott D. Chambers ◽  
Elise-Andree Guérette ◽  
Khalia Monk ◽  
Alan D. Griffiths ◽  
Yang Zhang ◽  
...  
Keyword(s):  
Air Quality ◽  
Diurnal Cycle ◽  
Transport Model ◽  
Chemical Transport ◽  
Chemical Transport Model ◽  
Transport Models ◽  
Potential Health ◽  
Meteorological Model ◽  
Model Skill ◽  
Chemical Transport Models

We propose a new technique to prepare statistically-robust benchmarking data for evaluating chemical transport model meteorology and air quality parameters within the urban boundary layer. The approach employs atmospheric class-typing, using nocturnal radon measurements to assign atmospheric mixing classes, and can be applied temporally (across the diurnal cycle), or spatially (to create angular distributions of pollutants as a top-down constraint on emissions inventories). In this study only a short (<1-month) campaign is used, but grouping of the relative mixing classes based on nocturnal mean radon concentrations can be adjusted according to dataset length (i.e., number of days per category), or desired range of within-class variability. Calculating hourly distributions of observed and simulated values across diurnal composites of each class-type helps to: (i) bridge the gap between scales of simulation and observation, (ii) represent the variability associated with spatial and temporal heterogeneity of sources and meteorology without being confused by it, and (iii) provide an objective way to group results over whole diurnal cycles that separates ‘natural complicating factors’ (synoptic non-stationarity, rainfall, mesoscale motions, extreme stability, etc.) from problems related to parameterizations, or between-model differences. We demonstrate the utility of this technique using output from a suite of seven contemporary regional forecast and chemical transport models. Meteorological model skill varied across the diurnal cycle for all models, with an additional dependence on the atmospheric mixing class that varied between models. From an air quality perspective, model skill regarding the duration and magnitude of morning and evening “rush hour” pollution events varied strongly as a function of mixing class. Model skill was typically the lowest when public exposure would have been the highest, which has important implications for assessing potential health risks in new and rapidly evolving urban regions, and also for prioritizing the areas of model improvement for future applications.

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