Reactive transport modeling of processes controlling the distribution and natural attenuation of phenolic compounds in a deep sandstone aquifer

Reactive solute transport modeling was utilized to evaluate the potential for natural attenuation of a contaminant plume containing phenolic compounds at a chemical producer in the West Midlands, UK. The reactive transport simulations consider microbially mediated biodegradation of the phenolic compounds (phenols, cresols, and xylenols) by multiple electron acceptors. Inorganic reactions including hydrolysis, aqueous complexation, dissolution of primary minerals, formation of secondary mineral phases, and ion exchange are considered. One-dimensional (1D) and three-dimensional (3D) simulations were conducted. Mass balance calculations indicate that biodegradation in the saturated zone has degraded approximately 1-5% of the organic contaminant plume over a time period of 47 years. Simulations indicate that denitrification is the most significant degradation process, accounting for approximately 50% of the organic contaminant removal, followed by sulfate reduction and fermentation reactions, each contributing 15-20%. Aerobic respiration accounts for less than 10% of the observed contaminant removal in the saturated zone. Although concentrations of Fe(III) and Mn(IV) mineral phases are high in the aquifer sediment, reductive dissolution is limited, producing only 5% of the observed mass loss. Mass balance calculations suggest that no more than 20-25% of the observed total inorganic carbon (TIC) was generated from biodegradation reactions in the saturated zone. Simulations indicate that aerobic biodegradation in the unsaturated zone, before the contaminant entered the aquifer, may have produced the majority of the TIC observed in the plume. Because long-term degradation is limited to processes within the saturated zone, use of observed TIC concentrations to predict the future natural attenuation may overestimate contaminant degradation by a factor of 4-5.     

过氧化钙去除水中糖皮质激素的响应面分析

结合响应面方法Box-Behnken实验设计,对过氧化钙降解代表性糖皮质激素曲安奈德过程中的影响因素（过氧化钙投加量、溶液初始pH值、反应时间、糖皮质激素初始浓度）进行了探讨与分析,并对反应条件进行了优化.得出最优反应条件为：过氧化钙投加量4g/L;溶液初始pH值5.7,反应时间15.7min,初始TA浓度为0.06mmol/L.最优条件下模型预测的目标物降解率（88.6%）和实验得出的降解率（82.8%）数值接近,说明此响应面模型能够较准确预测过氧化钙对糖皮质激素的去除效果,并用电子顺磁共振仪对过氧化钙降解有机物过程中的作用自由基进行了检测.研究结果对过氧化钙技术去除有机污染物的发展有一定的参考价值.     

响应面方法优化光催化降解抗生素类污染物过程研究

近年来抗生素类污染物对环境的影响及其生态毒性日益引起广大研究者的关注。对TiO2光催化降解典型抗生素类污染物磺胺二甲嘧啶（SMT）进行了研究。采用中心组合设计方法（CCD）进行试验设计,使用响应面方法（RSM）对光催化过程中的影响因素（TiO2浓度、初始磺胺二甲嘧啶浓度、双氧水浓度）进行了探讨和分析,并对反应过程进行了优化。优化结果表明,最佳反应条件为：TiO2浓度1.74 g/L、初始磺胺二甲嘧啶浓度20.0 mg/L、双氧水浓度106.28 mg/L,在优化条件下的磺胺二甲嘧啶光催化实际去除率为83.6%。响应面方法能够优化光催化条件,预测光催化结果,有利于优化光反应器的设计,对于工程化光催化水处理技术的发展具有一定的参考价值。     

Application of response surface methodology for the optimization of biodiesel production from yellow mustard (Sinapis alba L.) seed oil

In the present study, response surface methodology (RSM) involving central composite design (CCD) was applied to optimize the reaction parameters of biodiesel production from yellow mustard (Sinapis alba L.) seed oil during the single-step transesterification process. A total of 30 experiments were designed and performed to determine under the effects of variables on the biodiesel yield such as methanol to oil molar ratio (2:1–10:1), catalyst concentration (0.2–1.0 wt.% NaOH), reaction temperature (50–70°C), and reaction time (30–90 min). The second order polynomial model was used to predict the biodiesel yield and coefficient of determination (R²) was found to be at 0.9818. The optimum biodiesel yield was calculated as 96.695% from the model with the following reaction conditions: 7.41:1 of methanol to oil molar ratio, 0.63 wt. % NaOH of catalyst concentration, 61.84°C of reaction temperature, and 62.12 min of reaction time. It is seen that the regression model results were in agreement with the experimental data. The results showed that RSM is a suitable statistical technique for optimizing the reaction parameters in the transesterification process in order to maximize the biodiesel yield.     

Extrinsic modeling and simulation of helio-photovoltaic system: a case of single diode model

Simulation of helio-photovoltaic system is continuously undergoing revolution through diverse parameter modifications which closely mimic the experimental data. In retrospect, the current work has presented a nonlinear modification of equivalent circuit parameters and simulated the same for different semiconductors (crystalline and thin films); furthermore, established a mathematical relation between the coefficients of solar irradiance and module temperature (SIMT); moreover, investigated the influence of SIMT on the model parameters. The simulation upshot reveals that increment in solar irradiance (SI) intensifies the output current whereas an increase in module temperature (MT) diminishes the output voltage; the SIMT coefficients developed validated well with the manufacturers data; the influence of SI was evident on the photon current, diode current, and shunt resistance whereas the effect of MT was pronounced on the diode current, ideality factor, and shunt resistance. Thus, the provision made by this work is essential for advanced design and simulation of helio-photovoltaic systems.     

钢铁企业循环经济影响因素及作用路径研究

基于企业实力、环境管制、公众参与及绿色竞争等理论,提出了钢铁企业循环经济影响因素及作用路径研究模型,并采用偏最小二乘路径分析法,以我国54家钢铁企业2013年数据为例展开实证研究。结果表明:企业特征因素、市场竞争因素、政府因素对钢铁企业循环经济发展水平有直接影响,且影响效应依次递减;公众因素对循环经济发展水平有间接影响,且影响效应较低。同时,验证了此方法的科学性与适用性。     

一株苯酚降解菌的筛选鉴定及响应面法优化其降解

从某化工厂污水处理车间活性污泥中分离、筛选到一株能以苯酚为唯一碳源和能源生长的菌株YH8.基于形态特征、生理生化特性、BIOLOG细菌自动鉴定系统、16S rDNA和gyrB基因序列同源性分析鉴定菌株YH8,鉴定菌株YH8为Acinetobacter guillouiae.在苯酚浓度低于1200 mg·L-1,温度为26~34℃,pH为7.0~10.0时,菌株YH8培养60 h对苯酚的降解率达70%以上.运用单因素实验初步确定苯酚降解的最适外加碳源和氮源分别为山梨醇和NaNO3,最适温度为30℃,最适初始pH为9.0,最适接种量为5%.为了提高菌株YH8的降解率,首先利用Plackett-Burman实验设计评估并筛选出影响苯酚降解的3个关键因素为初始pH、苯酚浓度、山梨醇浓度.用最陡爬坡实验逼近以上3个因子的最大响应区域,采用Box-Behnken实验设计及响应面法分析,确定其最优降解条件为初始pH 9.26、苯酚浓度1163.63 mg·L-1、山梨醇浓度7.81%、接种量5%、NaNO_3浓度2%、温度30℃、培养时间96 h,在此条件下苯酚降解率可达98.95%.苯酚降解酶活性及酶定域实验表明,菌株YH8相关降解酶为胞内酶,且苯酚可诱导苯酚羟化酶(LmPH)和邻苯二酚1,2-双加氧酶(C_(12)O)的合成.通过降解酶特异性引物从菌株YH8扩增得到LmPH和C12O基因片段,经质粒检测和消除实验发现菌株YH8相关降解基因位于质粒上.此外,菌株YH8能耐受高浓度NaCl和多种重金属离子,对多种抗生素具有抗性.     

污泥水磷和有机物同步混凝去除的多目标优化技术研究

通过引入多响应值的归一化评分法进行了污泥水磷和有机物同步混凝去除的多目标优化,并利用响应面(RSM)技术考察了Al/P比、聚丙烯酰胺(PAM)投加量和悬浮固体(SS)浓度对污染物去除的单独效应和联合效应.结果表明,复合投加聚合氯化铝和PAM能同步去除污泥水中磷和有机物,并改善沉降效果.归一化后单目标RSM优化显示,对污泥水中磷和有机物同步去除的贡献为Al/P比SS浓度PAM投加量.在最优条件Al/P比为3、PAM浓度为1.22 mg·L~(-1)、SS浓度为3.58 g·~(L-1)的条件下,正磷和总有机碳去除率分别为93.1%和53.9%.与多响应变量优化相比,引入归一化评分法有效解决了变量间数值量级差异的问题,使结果的分析计算变得简单方便.     

厌氧发酵产沼气过程中脱氢酶活性检测工艺及其优化

为了优化脱氢酶活性这一指标在厌氧发酵产沼气系统中的检测方法,分别以小麦秸秆、羊粪及其混合原料(质量比1∶1)为发酵底物,通过Box-Behnken试验及响应面分析法确定并优化了沼气发酵系统中碘硝基四唑紫法脱氢酶活性的检测工艺,并对脱氢酶活性与甲烷产量进行了相关性分析.结果表明,3种底物均以乙醇作为萃取剂,以甲醛作为终止剂时显色效果最好.分别以秸秆、粪便及其混合为发酵底物时,脱氢酶检测在pH值分别为6.5、7.2、7.7,反应温度均在37℃下,碘硝基四唑紫质量分数均为0.15%,反应时间均为50 min时比色效果最好.相关性分析显示,厌氧发酵产沼气系统中脱氢酶活性与甲烷产量相关性显著.     

大气边界层中起尘、降尘过程的模拟实验的相似性原则

风洞模拟实验是研究起、降尘过程最有效的手段。前人只研究了低湍流度气流中,平坦表面的实际起尘过程。作者提出一组扩展的相似性原则,用于模拟大气边界层湍流及复杂地形对趋、降尘过程的影响及防尘风障在此条件下的减尘效率,并得到一系列有意义的结果。