Ab initio infra-red spectra of iron-polycyclic aromatic hydrocarbon compounds: a model case

C₁₀H₆-Fe⁺ complexes were observed by Fourier transform mass spectrometry by Marty et al. (Chem. Phys. Lett. 256 (1996) 669). In this article, we present the infra-red (IR) spectra of the two isomers calculated by ab initio methods of quantum chemistry. In the past, the same approach has predicted successfully unexpected features of the IR spectra of polycyclic aromatic hydrocarbon (PAH) cations which were confirmed by measurements in matrices (J. Phys. Chem. 98 (1994) 9187). The C₁₀H₆-Fe⁺ systems are models for larger PAHs-Fe⁺ complexes, which are believed to play a key rôle in space chemistry.     

Petroleum Hydrocarbon Distribution Features in Water and Sediment off Fujian Shore

This study on the distribution features of petroleum hydrocarbon in water and sedi-ment off the Fujian shore using data obtained from the baseline research on oceanic contamination in Fujian showed that:during the research preiod,petroleum hydrocarbon concentrations in water varied from 5.77μg/L to 37.28μg/L,averaged 14.48 μg/L;was lower in the wet seasson than in the dry season;and was highest in the Minjiang Estuary and Jiulong Estuary in both seasons ,The petorleum hydrocarbon concentrations in shore sediment varied from 14.48 mg/kg to 784.36 mg/kg,averaged 133.3 mg/kg ,and was closely related to sediment types (granularity).     

纺织品中偶氮染料还原液内芳香胺的电喷雾电离质谱分析

在优化的条件下,用电喷雾电离质谱(ESI-MS)检测了多种纺织品中由偶氮染料还原获得的芳香胺。当毛细管温度为100℃、鞘气流速为25单位、进样流速为10μL/min、电压为5kV时,信号的总离子流强度高且较稳定。实验分析了19种致癌芳香胺标准溶液的二级质谱,获得了相应物质的特征碎片离子;在此基础上,建立了基于ESI-MS对毛巾、棉布等样品中芳香胺进行快速定性分析的方法,具有灵敏度高、特异性好、检测速度快等优点。     

徐州土壤多环芳烃的环境地球化学迁移特征

选择江苏徐州黄棕壤进行不同深度层位多环芳烃含量的定量分析,研究并探讨了多环芳烃在土壤深度剖面中的地球化学迁移特征。研究结果显示,多环芳烃在徐州土壤剖面中主要集中在地表0~20 cm内。其中低环多环芳烃化合物的迁移能力较强,4~6环等高环化合物相对较难迁移,主要残留于地表生态系统环境中。     

松辽盆地三肇凹陷葡萄花油层成藏模式初探

运用源控含油气系统理论与综合分析技术,按成藏“层次分析”方法,通过对生、储、盖、圈(闭)静态要素及其内生、排、运、聚、散(失)动态过程的综合研究,对松辽盆地中央坳陷的三肇凹陷葡萄花油层成藏条件进行探讨,提出了以次级凹陷为中心、不同类型的油气聚集带紧邻并围绕次级凹陷最低部位呈环带状分布的大型凹陷内成藏模式,并进一步提出永乐次级凹陷中心及其三级聚油环带及徐家围子次级凹陷以西为"网式"运聚特征;在凹陷级成藏模式的指导下,通过对大面积密井网开发区综合解剖,提出三级构造带中单个的局部构造圈闭(群)、单个的(局部构造——)岩性圈闭(群)控油和成藏规律,为认识本区基本控油单元、油水分布规律、油气勘探及扩大新探区提供重要的理论依据。     

渤海新近系浅水三角洲沉积体系与大型油气田勘探

新近纪渤海具有构造稳定、沉降缓慢、湖泊水域范围大、内部无分割、地形平缓、坡度小等特点,广泛发育浅水三角洲,从而形成渤海海域新近系良好的储盖组合和优越的油气成藏条件。浅水三角洲砂岩储层由于受河流作用的控制,砂体具有明显的方向性,存在明显的分叉现象,与曲流河相比,砂体连通性较好,砂体等厚图呈典型的朵叶状。湖相厚层泥岩普遍发育,与浅水三角洲砂体组成多套垂向优质储盖组合。浅水三角洲发育于渤海新近纪至今处于生烃的峰期主力富烃凹陷的有利区带,新构造运动造成新近纪以来凹陷主力源岩生烃峰期与新构造运动的同步耦合,为渤海大型浅水三角洲成因的优质储层油气成藏创造了优越条件,可以形成大型油气田。因此,重视并充分挖掘渤海浅水三角洲储层类型油气藏的勘探潜力将是追求浅层优质油藏、进一步增储上产的方向所在。     

无机盐类对天然矿物低温催化混合酯生烃反应的影响

脂肪酸酯是一类重要的生烃母质。选择了十四烷酸甲酯、十六烷酸甲酯和十八烷酸甲酯的混合酯为模型反应物,以方解石、白云石、伊利石、钙蒙脱石和黄铁矿为催化剂,分别考察了氯化钾、氯化镁、氯化钠、硫酸钠以及混合盐对天然矿物低温催化混合酯生烃反应的影响。结果表明,无机盐类对矿物催化下混合酯的生烃反应均有不同程度的影响,硫酸钠具有反催化作用,其它盐类具有正催化作用。且在各无机盐存在下,不同的矿物表现出不同的催化活性。     

人工合成烃类流体包裹体测温数据对石油地质的指示

石油地质中,通常使用流体包裹体的数据来恢复油气捕获时候的温度与压力。为了探讨这些温度和压力真实地质意义,我们通过设定的温度和压力人工合成烃类包裹体,并通过测量烃类包裹体和同期捕获的水包裹体的均一温度,来解释地质中的现象。     

Photoinduced toxicity single and binary mixtures of four polycyclic aromatic hydrocarbons to the marine diatom Skeletonema costatum

Diatom Skeletonema costatum Cleve is one of the main predominant phytoplankton species in the Changjiang Estuary in China. In order to provide some basic information for future assessment of the potential risk on phytoplankton communities in this estuary caused by polycyclic aromatic hydrocarbons(PAHs), this alga was selected as a representative to investigate the photoinduced toxicity of PAHs, in single and mixture. Four PAHs including three-ring phenanthrene and anthracene, four-ring fluoranthene and pyrene were tested in the laboratory. The single toxicity of each PAH on this microalga was compared with and without the simulated solar UV radiation. The results showed that this microalga was sensitive to PAH's photoinduced toxicity. Ratios of the 72 h median effect concentration obtained for fluorescent and UV light tests were about 8.4 for phenanthrene, 13.0 for anthracene, 6.5 for fluoranthene, and 5.7 for pyrene, indicating that UV light enhanced the PAH toxicity to this alga significantly. Under the fluorescent radiation (lacking UV), the dose-response curves based on chemical concentrations revealed that the order of toxic strength was fluoranthene greater than pyrene greater than anthracene greater than phenanthrene; while under the UV radiation (476 μW/cm2 for UVA, 6.5 μW/cm2 for UVB) it became fluoranthene approximately equaling anthracene greater than pyrene greater than phenanthrene, indicating that the UV light also changed its relative toxicity to this alga. The photoinduced toxicity of PAHs to the marine diatom S. costatum might be a synergistic effect of photosensitization reactions (e.g., generation of single-state oxygen) and photomodification (photooxidation and/or photolysis).The combined effects of six binary mixtures on the marine diatom S. costatum were investigated using the additive-index method. Four binary-mixtures (phenanthrene plus anthracene; phenanthrene plus pyrene; anthracene plus fluoranthene; anthracene plus pyrene) were found to be synergistic joint action mode, while two binary-mixtures (phenanthrene plus fluoranthene; fluoranthene plus pyrene) displayed antagonist, revealing a complex pattern of possible interactions. The combined action mode of PAHs might be related to various factors such as the mixture compounds, mixture ratios and test conditions, etc.     

Assessing degradation capability of aerobic indigenous microflora in PAH-contaminated brackish sediments

A study was conducted to determine polycyclic aromatic hydrocarbons (PAHs) distribution and microbial population changes in brackish sediments from an Italian lagoon included in the Ramsar List of Wetlands of International Importance. The presence and level of PAH-degrading bacteria were estimated by the most probable number (MPN) enumeration technique, whereas degradation capability towards target compounds was checked against loss of spiked PAHs (Phenanthrene, Anthracene and Fluoranthene) in MPN tubes after incubation in optimal conditions. Chemical analyses and microbiological counts suggested a potential for PAHs biodegradation by natural occurring populations of sediment microorganisms, thus indicating an "optimal range" in sediment PAHs concentrations, outside of which the natural selection of the indigenous microflora did not occur. The MPN procedure here described, provided an effective and reliable way to simultaneously determine microbial population densities and subsequent confirmation of the biodegradation capability of sediment indigenous microflora when exposed to laboratory and environmental concentrations of PAHs.