A numerical scheme for the integration of the gas-phase chemical rate equations in three-dimensional atmospheric models

A numerical integration scheme, designed for the gas-phase chemistry module in a 3D regional tropospheric chemistry model, is presented. Species in the chemical system are partitioned into “slow” and “fast” species, according to their lifetime under typical atmospheric conditions. A Newton-Raphson iterative scheme (implicit) is used for the fast species, while an explicit scheme is used for the slow ones. The hybrid implicit/explicit approach is tested against the Gear integration scheme for several rural and urban conditions (with and without emission/deposition). Comparisons with an exponential approximation scheme are also presented. The present integration scheme is shown to be accurate and efficient. With a 30 min integration step, the implicit/explicit scheme is at least 10-times faster than the Gear integration (with an equivalent integration step).     

A high-order splitting scheme for the advection-diffusion equation of pollutants

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A comparison of fast chemical kinetic solvers for air quality modeling

Two methods for solving stiff systems of ordinary differential equations describing nonlinear chemical kinetics in air quality models, namely the hybrid and the quasi-steady state approximation (QSSA) schemes, are compared with respect to their accuracy and computational speed. Their implementation for parallel and vector processing computers is discussed. Tests are conducted using two different photochemical mechanisms. Also, a new test problem is developed to represent various degrees of stiffness encountered in urban and regional air quality simulations. It is concluded that the hybrid scheme is more accurate than the QSSA scheme. Different techniques are considered to eliminate conservation errors and make the solutions more accurate. As for the computational efficiency, the QSSA scheme is approximately two to four times faster than the hybrid scheme.     

A nonlinear filtering algorithm for multi-dimensional finite element pollutant advection schemes

A nonlinear filter is developed for use with finite element methods in solving the atmospheric diffusion equation. Usually, high-order accurate finite element methods lead to ripples near sharp gradients. This is an undesirable feature in air quality modeling. The filter eliminates these ripples by adding artificial diffusion along the direction of the streamlines. Since it is applied only in regions where the ripples are located, the accuracy of the solution is maintained. Here, the filter was used with the streamline upwind Petrov-Galerkin method. It displayed good performance characteristics in the standard rotating puff test, and in a new test where the angular velocity profile is parabolic. It did not cause excessive crosswind diffusion that was present in a previously developed two-dimensional filter, or Forester filters applied to one-dimensional, spatially split algorithms. The new test problem was designed specifically to show that the rotating puff test may not always be the appropriate test to evaluate the performance of transport schemes, especially those that split the horizontal transport into one-dimensional operators. As expected, a one-dimensional splitting scheme (Chapeau function) displayed worse performance than fully two-dimensional schemes under more severe conditions of the new test problem.     

A tool model for predicting atmospheric chemical kinetics with sensitivity analysis

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基于AERMOD模式的大气扩散参数方案比较研究

在美国法规空气质量模式AERMOD的框架下,比较了4种已被广泛应用的扩散参数化方案(基于边界层微气象要素的AERMOD湍流参数化方案,基于湍流观测资料和扩散函数的Tub-Obs方案,Briggs参数化方案,NEPA方案).分析了不同稳定度、不同扩散参数方案下的污染物SO2地表浓度差别.总体来说,在中性和不稳定条件下,4种方案模拟结果的差别不大;在稳定条件下, AERMOD方案的地面浓度明显低于Briggs和NEPA方案,可能是由于AERMOD方案不能很好地识别局地湍流的贡献.     

电磁环境监测传感器部署效率评估方法

目的提升电磁环境的全域、精细化监测能力。方法基于单个传感器监测能力和多个传感器协同监测效率,建立相应的评估指标模型,利用多属性决策方法将多指标量化为单一指标,获得监测传感器部署效率评估结果。结果以待评估方案与理想方案的贴近度作为部署效率评估指标,建立了部署效率评估指标体系,提出了基于逼近理想解排序法(TOPSIS)和网络分析法(ANP)的综合评估方法。结论通过仿真验证了该方法的可行性和有效性,为监测传感器部署方案优化和动态调度提供量化评估数据支撑。     

典型耦合优化算法在源项反演中的对比研究

突发大气污染事故中,污染源的快速、准确确定是应急处置的基础.为研究有效的源项评估方法,本文基于美国草原外场SO₂释放实验,利用GA-PSO、GA-NM、PSO-NM 3种耦合算法,分别与高斯点源烟羽扩散模型结合,对源强和位置等污染源参数进行反演与对比,并从算法结构与大气扩散条件方面进行反演效果差异分析.结果表明,从源强反演角度看,PSO-NM反演结果的准确性最高、稳定性最强,平均误差（11.3%）与平均标准偏差（0.7g/s）明显低于GA-NM（16.4%、13.3g/s）与GA-PSO（29.0%、26.6g/s）.从位置反演角度看,PSO-NM的反演结果最为稳定,反演的平均标准偏差（0.29m）明显低于GA-NM（3.20m）与GA-PSO（3.03m）算法;在不稳定和中性扩散条件下,PSO-NM算法的位置反演准确性最高,误差为4.97m;但在稳定扩散条件下,GA-NM的位置反演误差（7.69m）最小.从反演效率角度看,PSO-NM与GA-NM反演时间最短,更适用于污染源的快速确定.     

CSTR水力学模型数值求解方法探讨

CSTR模型是河流水质模拟的常用模型之一,其中水力学模型是影响CSTR模型数值稳定性的关键因素,但迄今为止对CSTR水力学模型数值稳定性鲜有充分的讨论. 以赣江朝阳水厂至八一桥北段为例,采用实测数据,分单箱积分和整体积分2种方式,讨论了Runge-Kutta-Felberg方法(RKF)、经典四阶Runge-Kutta方法(RK4)和二级四阶隐式Runge-Kutta方法(RK2)的数值稳定性、模拟精度和时间效率. 结果表明,与国际上目前常用的单箱积分相比,整体积分具有更好的稳定性. 3种Runge-Kutta方法的稳定性排序是RKF相似文献   

初始排放权分配对各省区碳交易策略及其减排成本的影响分析

碳排放权分配是我国碳交易机制设计的根本性问题之一.然而,不同初始分配方案对我国碳减排和宏观经济的影响尚不明确,成为制约碳交易市场快速发展的重要因素.本文以我国"十三五"时期碳排放强度下降目标为约束构建非线性规划模型,模拟了"祖父分配方案"、"支付能力方案"和"人口规模方案"3种初始排放权分配方案对各省区碳交易策略及其减...     

城市街道峡谷中气态污染物扩散数值计算方法研究

选用不同的差分格式(Upwind, Hybrid, Hquick)对城市街道峡谷内部汽车污染物排放浓度进行了预测,并于风洞实验结果对比。研究表明,三种格式的计算结果和实验结果总体趋势一致,即背风面建筑物附近浓度远高于迎风面建筑物附近的浓度,地面附近浓度高于峡谷上方的浓度。相比之下,Hquick格式的预测性能最佳,应为首选。     

Inter-comparisons of VOC oxidation mechanisms based on box model: A focus on OH reactivity

Volatile organic compounds (VOCs) oxidation processes play a very important role in atmospheric chemistry, and the chemical reactions are expressed in various manners in chemical mechanisms. To gain an improved understanding of VOCs evolution during oxidation processes and evaluate the discrepancies of VOCs oxidation schemes among different mechanisms, we used the total VOC reactivity as a diagnostic and evaluated tool to explore the differences for six widely used chemical mechanisms. We compared the total VOC reactivity evolution under high-NO_x conditions for several sets of precursors, including n-pentane, toluene, ethene, isoprene and a mixture of 57 Photochemical Assessment Monitoring Stations (PAMS) species in a 0-D photochemical box model. Inter-comparison of total VOC reactivity of individual precursor simulations showed discrepancies to different extent of the oxidation schemes among the studied mechanisms, which are mainly attributed to the different lumping approaches for organic species. The PAMS simulation showed smaller discrepancy than individual precursor cases in terms of total VOC reactivity. SAPRC07 and RACM2 performances are found to better match the MCM for simulation of total VOC reactivity. Evidences suggest that the performance in simulating secondary organic products, OH concentrations and NO_x concentrations are related to the OH reactivity discrepancies among various chemical mechanisms. Information in this study can be used in selection of chemical mechanisms to better model OH reactivity in different environments. The results in this study also provide directions to further improve the ability in modelling total VOC reactivity with the chemical mechanisms.     

非离子氨浓度换算方法的改进

根据氨溶于水时平衡常数与温度的关系，求出非离子氨摩尔百分比的表达式，直接用公式在计算器上编程换算非离子氨浓度，可提高数据的准确性和批量数据处理效率     

区域空气质量模拟中查表法的应用研究

在自行开发完善的区域空气质量模式系统RegSRRMS中应用查表法,模拟中国典型城市群对流层大气主要污染物的浓度变化,评估该方法在大气复合污染事件预测和控制中的有效性.首先,利用具有国际先进水平的空气质量模式WRF-CHEM中的化学模块建立了包含完善气相化学、气溶胶过程的箱模式WRFBOX.其次,利用WRFBOX进行化学反应敏感性分析,基于影响污染物的重要因子分别建立了臭氧(O3)及其前体物、无机盐气溶胶和二次有机气溶胶(SOA)查算表数据库,并检验其有效性.最后,将此查算表数据库引入RegSRRMS,建立简化的查表算法.利用直接耦合机制法和查表法对2000年3月珠三角地区污染个例中主要大气污染物浓度进行模拟.通过比较2种方法的模拟结果,显示查表法计算效率提高了57%,能够反映大气光化学反应的非线性特征、气溶胶及其前体物的平衡关系,具有高分辨率、高时效性,能够方便快捷地给出源和受体之间的响应关系,结果可靠.在区域空气质量模式中应用查表法有利于大气污染事件的快速预测以及大气污染控制的快速决策.     

Au nanoring arrays as surface enhanced Raman spectroscopy substrate for chemical component study of individual atmospheric aerosol particle

Monolayer-ordered gold nanoring arrays were prepared by ion-sputtering method and used as surface enhanced Raman spectroscopy (SERS) substrates to test the individual atmospheric aerosols particle. Compared to other methods used for testing atmospheric aerosols particles, the collection and subsequent detection in our work is performed directly on the gold nanoring SERS substrate without any treatment of the analyte. The SERS performance can be tuned by changing the depth of the gold nanoring cavity as originating from coupling of dipolar modes at the inner and outer surfaces of the nanorings. The electric field exhibits uniform enhancement and polarization in the ordered Au nanoring substrate, which can improve the accuracy for detecting atmospheric aerosol particles. Combined with Raman mapping, the information about chemical composition of individual atmospheric aerosols particle and distribution of specific components can be presented visually. The results show the potential of SERS in enabling improved analysis of aerosol particle chemical composition, mixing state, and other related physicochemical properties.     

高能电子沉降对北半球冬季中高层大气活性氮和臭氧影响的数值模拟

高纬度地区平流层臭氧浓度对极地地表生物地球化学过程影响巨大,近年来高能电子沉降对大气臭氧和活性氮的影响成为新的关注点。本工作基于化学-气候耦合模式SOCOL3.0,参考第六次耦合模式比较计划（CMIP6）推荐的低能量电子（LEE）和中能量电子（MEE）的参数化方案构建了SOCOL-EPP-ECNU化学-气候模式,利用该模式对高能电子沉降对中高层大气活性氮（NO_x）和臭氧的影响进行了敏感性试验和评估。结果表明,中高层大气对于LEE效应产生的NO_x通量的上边界条件设定敏感度很高,该设定对模式模拟效果有决定性意义。加入LEE和MEE通量后,模式对北半球冬季平流层中下层NO_x浓度的模拟精度得到提高,同时也使北半球冬季平流层中下层气温的模拟得到改善。模拟结果指示,加入LEE和MEE,进一步完善对高能粒子沉降的模式描述,有助于提高模式对大气化学成分及气候要素模拟的准确度。     

基于CFD的袋式除尘器流场优化及漏袋模拟

基于计算流体力学（CFD）,对苏州某环保公司实验用下进风袋式除尘器4种方案下的流场模拟结果进行分析比较,分别为无导流板（方案1）、直板加同向翼板（方案2）、直板加异向翼板（方案3）、竖直导流板加整流格栅（方案4）,选取滤袋进口前100 mm处截面速度相对标准偏差作为评价指标,并对不同面积破袋情况进行数值模拟,研究压差、流速和浓度作为检漏特征因子的可行性。结果表明:方案4的流场分布最为均匀,优于方案2和3;方案2的阻力增幅最小,显著低于方案3和4。研究从模拟角度验证了小范围破袋出口浓度与破袋面积呈线性正相关,并发现选取压差和流速作为检漏特征因子影响不显著,浓度变化最为灵敏。综合气流分布均匀性和阻力2个重要评价指标,方案2、4速度均匀性指数分别为0.36、0.2,且方案2阻力增幅远小于方案4,方案2更具实用性。研究提供的数值模拟方案可为下进风袋式除尘器的导流板布置及监测传感器的选用提供一定的参考依据。     

中水回用对城市给排水的影响研究——以常州市为例

水资源短缺是影响城市可持续发展的主要限制因子之一。污水回用是解决城市水危机的重要途径。目前中国的中水回用水平较低,提高污水回用水平对水资源的可持续利用和水环境保护具有重要意义。以常州市为例,全面分析了城市经济社会发展对水资源的作用机制,构建了城市水资源开发利用的系统动力学模型,设置不同中水回用情景,比较不同情景对城市水资源供给状况、水环境状况和社会影响。结果表明：如果维持现状中水回用规模不变,常州市未来将出现供水短缺,至2020年缺水量达到2.49亿m3,同时污水排放量达到14.97亿m3;如果中水回用率逐步提高到20%和40%,用水和排污总量将得到有效控制,但仍会持续增长;如果2020年中水回用率达到60%,常州市的用水和排水规模将维持不变,实现供排水的总量平衡。三种提高回用率的控制方案对地区生产总值的影响均低于0.1%,具有较高的经济可行性,研究成果可为常州市未来水资源利用和水环境保护规划的制定提供借鉴和指导。     

基于组合赋权集对分析的空气质量评价——以长沙市为例

空气质量评价是大气环境综合治理的重要基础,合理、科学地对空气质量进行评价,才能做出精确的治理规划和制定有效的治理措施,为大气环境管理提供依据.提出一种基于组合赋权集对分析的空气质量评价方法.该方法首先采用超标倍数法和熵值法分别确定空气质量各评价指标的权重,然后根据离差平方和最小原理建立优化模型确定各评价指标最终的组合权...     

建筑扰动条件下大气流动与扩散的CFD模拟

用FLUENT模式对中性大气、单个建筑的气流扰动情况进行模拟,并以风洞试验数据检验模拟效果;将模拟方法应用于类似城市建筑阵列条件的大气污染扩散问题,并且与现场示踪试验比较. 结果表明:FLUENT对建筑扰动条件的平均风场模拟效果良好,FAC2(模拟值与试验值之比在0.5~2之间的比例)在水平与垂直风速下分别达到77.9%与61.0%;对湍流特征量的模拟偏差稍大,K(湍流动能)虽总体偏小,但FAC2仍达到了54.6%. 选择湍流闭合的标准K-ε(ε为湍流动能耗散率)方案、重整化群K-ε方案和雷诺应力模型方案对结果的影响均不大. 采用FLUENT模拟了类似城市街区建筑阵列条件的大气扩散个例, 模拟结果反映了建筑扰动导致的扩散烟流轴线相对于平均风向的非常规偏移,并且扩散浓度与示踪试验结果相符较好,下风向32与63m处的侧向模拟浓度峰值的相对误差分别为72.5%与36.9%. 相比于高斯模式ISC3,FLUENT对复杂建筑阵列条件的扩散模拟结果更符合实际,如污染物向上风向扩散以及在建筑物周围堆积与绕流的现象. FLUENT扩散模拟还显示:近源处相邻建筑街道峡谷中的最大浓度沿下风向“阶跃”式减小,排放源所在街道峡谷中的最大浓度可比相邻街谷中的高几倍甚至1个数量级以上.