温压条件下不同含水高岭石对NH4+吸附的分子模拟

为研究高岭石对NH₄⁺吸附的微观情况,通过Material Studio软件对高岭石单胞进行收敛性测试后构建了4×2×1不同水化程度高岭石模型,采用量子力学和经典力学方法对模型晶胞进行了理论计算和吸附实验研究.结果显示,在交换关联泛函GGA-PW91,K点4×3×2,截断能600eV条件下,得到了高岭石稳定结构模型（误差<2%）;高岭石对NH₄⁺的吸附受温度影响明显,随温度升高,吸附量逐渐减少,与吸附实验结果一致;动力学结果显示吸附类型主要为物理吸附,吸附作用力为范德华力和库仑力.     

介质阻挡放电等离子体老化微塑料及对Zn (II)吸附的影响

为了在实验中缩短微塑料的老化时间,更真实地模拟自然老化条件,采用介质阻挡放电（DBD）等离子体老化聚乙烯微塑料（PE-MP）和聚丙烯微塑料（PP-MP）,同时研究了老化前后PE-MP和PP-MP对Zn （II）的吸附过程和机理.随着放电时间延长和输入电压升高,微塑料表面出现微小裂纹或孔洞,形成含氧官能团.老化后PE-MP和PP-MP对Zn （II）的吸附容量分别提高了22.7%和14.8%.老化前后微塑料对Zn （II）的吸附均符合准二级动力学模型.颗粒内扩散模型表明,Zn （II）在微塑料上的吸附过程可分为快速吸附,慢速吸附和吸附平衡3个阶段.同时,老化前后微塑料对Zn （II）的吸附均符合Langmuir吸附等温线模型.热力学结果表明,微塑料对Zn （II）的吸附是自发的吸热过程.Ca²⁺、腐殖酸和低pH值不利于微塑料对Zn （II）的吸附.     

铁盐浸渍强化污泥活性炭-甲醇热质传递特性

针对以市政污泥为核心的炭素前驱体开展原位铁盐浸渍磁修饰,通过响应曲面试验设计优化并制备了新型原位浸渍炭IM-WNC;以成品炭的后浸渍磁修饰炭PM-WNC为参比,考察了原位浸渍与后浸渍磁修饰过程对污泥活性炭-甲醇工质对的吸附/解吸速率、吸附等温线、吸附床传热性能、制冷量及制冷功率等方面的影响。结果表明:与后浸渍过程相比,原位铁盐浸渍有利于保持污泥炭总孔容积(0.6608cm³/g)及比表面积(1122m²/g)水平,能显著提升致密化污泥炭IM-WNC的导热系数(600kg/m³,4.586W/(m·K))、甲醇Sokoda&Suzuki平衡吸附量((528.74±15.86)mg/g)和Langmuir最大吸附量((673.99±13.52)mg/g)。升温脱附与冷却吸附循环体系内,IM-WNC致密化吸附床中心温度峰谷差值可达到69.07℃。当循环时间为76min,解吸温度为100℃时,IM-WNC吸附制冷床的制冷量和制冷功率分别达到501.43kJ/kg和799.06kJ/(kg·h),较PM-WNC分别提升了15.61%和18.69%。     

Highly efficient P uptake by Fe3O4 loaded amorphous Zr-La (carbonate) oxides: Electrostatic attraction, inner-sphere complexation and oxygen vacancies acceleration effect

Bimetallic oxides composites have received an increasing attention as promising adsorbents for aqueous phosphate (P) removal in recent years. In this study, a novel magnetic composite MZLCO was prepared by hybridizing amorphous Zr-La (carbonate) oxides (ZLCO) with nano-Fe₃O₄ through a one-pot solvothermal method for efficient phosphate adsorption. Our optimum sample of MZLCO-45 exhibited a high Langmuir maximum adsorption capacity of 96.16 mg P/g and performed well even at low phosphate concentration. The phosphate adsorption kinetics by MZLCO-45 fitted well with the pseudo-second-order model, and the adsorption capacity could reach 79% of the ultimate value within the first 60 min. The phosphate adsorption process was highly pH-dependent, and MZLCO-45 performed well over a wide pH range of 2.0-8.0. Moreover, MZLCO-45 showed a strong selectivity to phosphate in the presence of competing ions (Cl⁻, NO₃⁻, SO₄²⁻, HCO₃⁻, Ca²⁺, and Mg²⁺) and a good reusability using the eluent of NaOH/NaCl mixture, then 64% adsorption capacity remained after ten recycles. The initial 2.0 mg P/L in municipal wastewater and surface water could be efficiently reduced to below 0.1mg P/L by 0.07 g/L MZLCO-45, and the phosphate removal efficiencies were 95.7% and 96.21%, respectively. Phosphate adsorption mechanisms by MZLCO-45 could be attributed to electrostatic attraction and the inner-sphere complexation via ligand exchange forming Zr/La-O-P, -OH and CO₃²⁻ groups on MZLCO-45 surface played important roles in the ligand exchange process. The existence of oxygen vacancies could accelerate the phosphate absorption rate of the MZLCO-45 composites.     

Evaluation of disinfection byproducts for their ability to affect mitochondrial function

In the race to deliver clean water to communities through potable water reuse, disinfection and water quality assessment are and will continue to be fundamental factors. There are over 700 disinfection byproducts (DBPs) in water; evaluating each compound is practically impossible and very time consuming. A bioanalytical approach could be an answer to this challenge. In this work, the response of four major classes of DBPs toward mitochondrial membrane potential (ΔΨm) and cytoplasmic adenosine triphosphate (C-ATP) was investigated with human carcinoma (HepG2) cells. Within 90 min of cell exposure, only the haloacetic acid (HAA) mixture caused a cytotoxic response as measured by C-ATP. All four groups (haloacetonitriles (HANs), trihalomethanes (THMs), nitrosamines (NOAs), and HAAs) responded well to ΔΨm, R² > 0.70. Based on the half-maximum concentration that evoked a 50% response in ΔΨm, the response gradient was HANs >> HAAs ∼ THM > NOAs. The inhibition of the ΔΨm by HANs is driven by dibromoacetonitrile (DBAN), while dichloroacetonitrile (DCAN) did not cause a significant change in the ΔΨm at less than 2000 µM. A mixture of HANs exhibited an antagonistic behavior on the ΔΨm compared to individual compounds. If water samples are concentrated to increase HAN concentrations, especially DBAN, then ΔΨm could be used as a biomonitoring tool for DBP toxicity.     

流域水污染综合防治的生态效益分析

将模糊综合评价和pead生长曲线法引入到流域水污染防治的效益分析当中，建立了流域水污染防治的生态效益分析方法。以云南省寻甸县牛栏江小流域水污染综合防治规划为例，采用模糊数学法对水污染造成的水资源价值损失进行了估算，采用曲线法对水污染综合防治的生态价值进行分析，得刭水资源价值和生态价值分别为2730．3万元／年和491．45万元／年。最后将所有经济效益和费用贴现，计算效费比为3．68。分析结果可知，牛栏江小流域水污染综合防治具有良好的环境效益、经济效益和社会效益。     

钠化改性河南南部膨润土吸附亚甲基蓝性能分析

以河南南部天然钙基膨润土为原料,通过钠化改性得到了钠基膨润土.通过调控吸附剂用量、亚甲基蓝（MB）浓度、吸附时间、溶液pH值和温度,分析对比了天然钙基膨润土（PRT-1）、钙基提纯膨润土（PRT-1T）和钠基膨润土（PRT-1Na）对MB的去除效率.同时,对PRT-1T和PRT-1Na对MB的吸附动力学和吸附机制进行了研究.结果表明,由于PRT-1Na有更大的比表面积、更高的阳离子交换容量和更丰富的羟基结构,表现出对MB更好的吸附效果.在同等吸附条件下,PRT-1Na的吸附效果是PRT-1的4倍,PRT-1T是PRT-1的2倍.在20℃,pH为6,PRT-1Na用量为1.0 g,吸附时间为2 h,MB为500 mL,且初始浓度为500 mg·L^-1时,MB去除率高达99.89%.另外,PRT-1Na对MB染料废水的吸附既存在物理吸附也有化学吸附,Elovich模型对PRT-1T和PRT-1Na吸附MB染料废水的过程拟合度均高,但伪一级动力学模型对PRT-1Na拟合效果最好.     

气相色谱法测定室内空气中挥发性卤代烃

建立了活性炭吸附-溶剂解吸-气相色谱测定室内空气中7种挥发性卤代烃的分析方法。样品经活性炭采样管富集后,用二硫化碳解吸,Agilent HP-1色谱柱分离,使用带有电子捕获检测器的气相色谱仪测定,以保留时间定性,外标法定量。当采样体积为10 L时,方法检出限范围是0.03~0.18 g/m3,加标回收率在72%~114%之间,相对标准偏差小于15%。结果表明,该方法可以应用于室内空气中痕量挥发性卤代烃样品的检测分析。     

公众态度和机构监督对大气污染的影响

虽然以往对于环境库兹涅兹曲线（EKC）的研究中考虑了正式制度因素如政府机构监督，但是较少考虑非正式制度因素.本文重点检验两种制度情境的影响，微观层面的环境态度形成的非正式制度以及宏观层面的环保机构监督形成的正式制度对大气污染排放量的影响.基于CGSS2010-2013和2015年的数据库，从中提取出体现环境态度的问题，将其赋值指标化后，作为制度情境纳入环境方程.经过公开数据的收集，得到我国26个省份2010-2014年5年的面板数据.通过固定效应和随机效应模型，发现机构监督与人均GDP的交互项对氮氧化物、烟（粉）尘、二氧化硫排放都有影响，但是公众态度与人均GDP的交互项只对烟（粉）尘排放有影响，从而对不同制度情境下的环境库兹涅兹曲线进行了探索.     

直线、圆曲线上斜交涵洞长度精确计算通用程序设计

将直线上斜交涵长计算归化为圆曲线上斜交涵长计算的一种特例,本文对其作了理论上的推导证明.并编写了计算程序.通过算例验证:计算程序的可靠有效的.