Integration of traditional and innovative characterization techniques for flux-based assessment of Dense Non-aqueous Phase Liquid (DNAPL) sites

Key attributes of the source zone and the expanding dissolved plume at a trichloroethene (TCE) site in Australia were evaluated using trends in groundwater monitoring data along with data from on-line volatile organic compound (VOC) samplers and passive flux meters (PFMs) deployed in selected wells. These data indicate that: (1) residual TCE source mass in the saturated zone, estimated using two innovative techniques, is small ( 10 kg), which is also reflected in small source mass discharge ( 3 g/day); (2) the plume is disconnecting, based on TCE concentration contours and TCE fluxes in wells along a longitudinal transect; (3) there is minimal biodegradation, based on TCE mass discharge of  6 g/day at a plume control plane  175 m from source, which is also consistent with aerobic geochemical conditions observed in the plume; and (4) residual TCE in the vadose zone provides episodic inputs of TCE mass to the plume during infiltration/recharge events. TCE flux data also suggest that the small residual TCE source mass is present in the low-permeability zones, thus making source treatment difficult. Our analysis, based on a synthesis of the archived data and new data, suggests that source treatment is unwarranted, and that containment of the large TCE plume ( 1.2 km long,  0.3 km wide; 17 m deep;  2000–2500 kg TCE mass) or institutional controls, along with a long-term flux monitoring program, might be necessary. The flux-based site management approach outlined in this paper provides a novel way of looking beyond the complexities of groundwater contamination in heterogeneous domains, to make intelligent and informed site decisions based on strategic measurement of the appropriate metrics.     

Mercury cycling and species mass balances in four North American lakes

A mass balance model for mercury based on the fugacity concept is applied to Lake Superior, Lake Michigan, Onondaga Lake and Little Rock Lake to evaluate model performance, analyze cycling of three mercury species groups (elemental, divalent and methyl mercury), and identify important processes that determine the source-to-concentration relationship of the three mercury species groups in these lakes. This model application to four disparate ecosystems is an extension of previous applications of fugacity-based models describing mercury cycling. The model performs satisfactorily following site-specific parameterization, and provides an estimate of minimum rates of species interconversion that compare well with literature. Volatilization and sediment burial are the main processes removing mercury from the lakes, and uncertainty analyses indicate that air-water exchange of elemental mercury and water-sediment exchange of divalent mercury attached to particles are influential in governing mercury concentrations in water. Any new model application or field campaign to quantify mercury cycling in a lake should consider these processes as important.     

荠菜叶挥发性成分分析

采用水蒸气蒸馏法对荠菜叶挥发油进行了提取。通过毛细管气相色谱—质谱联用法分离并鉴定了其化学成分,用气相色谱面积归一化法测定了各成分的相对百分含量,共分离确定了其中12种化合物,所鉴定化合物的含量占全油的65.62%,主要化学成分为：L-胍基琥珀酰亚胺（21.28%）、植醇（18%）、植酮（9.6%）、油酸（4.71%）、棕榈酸（3.97%）等。     

用热解石墨管和锆＋酒石酸改进剂测定环境样品中锡

本文提出了一种新的混合改进剂（锆＋酒石酸）,能有效消除高氯酸、硝酸以及各种基体的干扰,比较了各原子化温度时理论和实验特征量,使解热石墨管可可能用于石墨炉原子吸收法测定各种环境样品中的锡,准确度和精度优于８％。     

Determination of alcohol compounds using corona discharge ion mobility spectrometry

Ion mobility spectrometry （IMS） is a very fast, highly sensitive, and inexpensive technique, it permits efficient monitoring of volatile organic compounds like alcohols. In this article, positive ion mobility spectra for six alcohol organic compounds have been systematically studied for the first time using a high-resolution IMS apparatus equipped with a discharge ionization source. Utilizing protonated water cluster ions （H2O）nH^＋ as the reactant ions and clean air as the drift gas, alcohol organic compounds, ethanol, 1- propanol, 2-propanol, 1-butanol, 1-pentanol and 2-octanol, all exhibit product ion characteristic peaks in their respective ion mobility spectrometry, that is a result of proton transfer reactions between the alcohols and reaction ions （H2O）nH^＋. The mixture of these alcohols, including two isomers, has been detected, and the results showed that they could be distinguished effectively in the ion mobility spectrum. The reduced mobility values have been determined, which are in very well agreement with the traditional ^63Ni-IMS experimental values. The exponential dilution method was used to calibrate the alcohol concentrations, and a detection limit available for the alcohols is in order of magnitude of a few ng/L.     

在线固相萃取-液相色谱串联质谱法测定污水厂尾水中6种酸性药物

建立了大体积在线固相萃取-液相色谱串联质谱(Online-SPE-LC-MS)检测污水厂尾水中6种酸性药物的方法.10 mL水样采用0.45μm微孔滤膜过滤后经自动进样器直接在线上样,经Atlantis T3柱(100 mm×4.6 mm×3μm)富集,Atlantis T3柱(100 mm×2.1 mm×2.6μm)...     

固相萃取-高效液相色谱-质谱联用法测痕量双酚A的方法优化

通过优化固相萃取和液相色谱条件,建立了固相萃取-高效液相色谱-质谱法测定水中双酚A的检测方法.水样经C18固相萃取柱净化并富集双酚A后,采用C18反相色谱柱XR-ODS(2.0 mm×100 mm,2.2μm)分离,MRM负离子模式测定.结果表明:BPA浓度为5～200 ng/L范围内线性关系良好(相关系数为0.999...     

A review on analytical methods for pharmaceutical and personal care products and their transformation products

Pharmaceutical and personal care products (PPCPs) and corresponding transformation products have caused widespread concern due to their persistent emissions and potential toxicity. They have wide octanol-water partition coefficients (K_ow) and different ionization constants (pK_a) resulting in a poor analysis accuracy and efficiency. A suitable analytical method is the first prerequisite for further research on their environmental behavior to prioritize the substances. This study reviewed a full-scale analytical protocol for environmental samples in the recent ten years: from sampling to instrumental methods. Passive sampling techniques were compared and recommended for long-term continuous and scientific observation. A quick and effective sample extraction and clean-up method are highly required. Chromatographic methods coupled to mass spectrometry for determining PPCPs with a wide range of logK_ow (?7.53 to 10.80) were summed up. High-resolution mass spectrometry was confirmed to be a promising strategy for screening unknown transformation products, which would provide a nanogram level of detection limits and more accurate mass resolution. Screening strategies and mass change principles were summarized in detail. The recovery rate was important in multiple contaminants analysis identification and factors affecting the recovery rate of PPCPs were also discussed in this review, including sample matrix, target compounds characteristics, extraction method and solid-phase adsorbent. This review provides useful information for the selection of appropriate analytical methods and future development directions.     

New methods for identification of disinfection byproducts of toxicological relevance: Progress and future directions

Disinfection byproducts (DBPs) represent a ubiquitous source of chemical exposure in disinfected water. While over 700 DBPs have been identified, the drivers of toxicity remain poorly understood. Additionally, ever evolving water treatment practices have led to a continually growing list of DBPs. Advancement of analytical technologies have enabled the identification of new classes of DBPs and the quantification of these chemically diverse sets of DBPs. Here we summarize advances in new workflows for DBP analysis, including sample preparation, chromatographic separation with mass spectrometry (MS) detection, and data processing. To aid in the selection of techniques for future studies, we discuss necessary considerations for each step in the strategy. This review focuses on how each step of a workflow can be optimized to capture diverse classes of DBPs within a single method. Additionally, we highlight new MS-based approaches that can be powerful for identifying novel DBPs of toxicological relevance. We discuss current challenges and provide perspectives on future research directions with respect to studying new DBPs of toxicological relevance. As analytical technologies continue to advance, new strategies will be increasingly used to analyze complex DBPs produced in different treatment processes with the aim to identify potential drivers of toxicity.     

圆锥形喷嘴出口直径对水射流冲击动力特性的影响研究

为探讨喷嘴结构对水射流冲击动力特性的影响,以圆锥形喷嘴为研究对象,基于COMSOL数值模拟软件,建立不同出口直径的圆锥形喷嘴模型,研究出口直径对水射流冲击动力特性的影响。研究结果表明：圆锥形喷嘴水射流冲击煤岩体过程中,不同喷嘴出口直径下水射流流场分布特征相似,整个流场可分为集中区、发散区、回流区和卷吸区4个区域,随喷嘴出口直径增大,卷吸区逐渐消失,其余3个区域分布也明显减弱;煤岩体应力分布可分为中心应力集中区和两侧应力集中区,随喷嘴出口直径不断增大,中心应力集中区与两侧应力集中区的范围逐渐减小,当喷嘴出口直径为6 mm时,两侧应力集中区基本消失;主体段入口速度恒定条件下,圆锥形喷嘴优选以2～3 mm出口直径为宜,此时水射流冲击煤岩体效果较佳,且不会对喷嘴产生结构破坏。