Two-dimensional modelling of some CFC replacement compounds

The Cambridge 2-D Eulerian model has been used to study the potential atmospheric distributions and lifetimes of a number of CFC replacement compounds and their degradation products. The study has focused on HFC 134a and HCFCs 123, 141b and 142b and the major products formed by their atmospheric degradation. The loss of these compounds and their products by hydroxyl radical attack, photolysis and in-cloud hydrolysis have been investigated. The study has shown that HCFCs 141b and 142b have sufficiently long lifetimes to enter the stratosphere in significant quantities, where degradation leads to an increase in the total stratospheric chlorine concentration. The study has also highlighted areas where further experimental work would be valuable, in particular characterisation of the product channels for the degradation reactions and determination of the removal rates of the products in the aqueous phase.     

Water-soluble organics in atmospheric particles: A critical review of the literature and application of thermodynamics to identify candidate compounds

Although organic compounds typically constitute a substantial fraction of the fine particulate matter (PM) in the atmosphere, their molecular composition remains poorly characterized. This is largely because atmospheric particles contain a myriad of diverse organic compounds, not all of which extract in a single solvent or elute through a gas chromatograph; therefore, a substantial portion typically remains unanalyzed. Most often the chemical analysis is performed on a fraction that extracts in organic solvents such as benzene, ether or hexane; consequently, information on the molecular composition of the water-soluble fraction is particularly sparse and incomplete.This paper investigates theoretically the characteristics of the water-soluble fraction by splicing together various strands of information from the literature. We identify specific compounds that are likely to contribute to the water-soluble fraction by juxtaposing observations regarding the extraction characteristics and the molecular composition of atmospheric particulate organics with compound-specific solubility and condensibility for a wide variety of organics. The results show that water-soluble organics, which constitute a substantial fraction of the total organic mass, include C2 to C7 multifunctional compounds (e.g., diacids, polyols, amino acids). The importance of diacids is already recognized; our results provide an impetus for new experiments to establish the atmospheric concentrations and sources of polyols, amino acids and other oxygenated multifunctional compounds.     

苯并噻吩系列化合物的成因模拟及其地球化学意义

在硫和β胡萝卜素反应产物中有丰富的苯并噻吩系列化合物,在硫与饱和链状化合物反应产物中既有噻吩系列化合物也有苯并噻吩系列化合物。所以推断苯并噻吩系列是硫作用于噻吩系列或含侧链的苯而形成的。噻吩系列和苯并噻吩系列的相对含量可以指示成熟度:在沉积条件相同的前提下,前者多后者少指示成熟度低,反之则指示成熟度高。     

The Atmospheric Oxidation of the HS Radical: Reaction with NO2

The atmospheric reaction between HS and NO₂ was theoretically investigated at 298 K and 1 atm of pressure. Our results show that the first reaction step will lead to the formation of HSNO₂ or HSONO, spontaneously and exothermically. HSONO easily decomposes into HSO + NO. On the other hand, HSNO₂ can hardly dissociate in the reactants, and its isomerization to other adducts is much hindered. Production of HNO + SO and SNO + OH was found to be unfavorable. Thus, the main products would be HSO + NO and HSNO₂, and new investigations focusing on the atmospheric fate of HSNO₂ are suggested. A general discussion of the fate of HS under atmospheric conditions is presented. Recent investigations indicate that NO₂, O₂ and N₂O should be the most important oxidants of HS, while the O₃ influence will not be significant.     

傅立叶变换红外光谱联用技术在化石燃料分析中的应用

对傅立叶变换红外光谱联用技术在化石燃料分析中的应用进行了较全面的总结评述,重点介绍了气相色谱／红外光谱联机、高压液相色谱／红外光谱联机、薄层色谱／红外光谱联机、超临界流体色谱／红外光谱联机、裂解色谱／红外光谱联机、热重分析／红外光谱联机、气相色谱／红外光谱／质谱三机联用技术等在化石燃料的结构组分分析、成因机理研究及其勘探等诸方面的重要应用,尤其是在芳香族化合物和几何异构体的分离鉴定方面发挥出的突出功效。引用文献５９篇。     

对流层平流层气溶胶粒子的形态和化学组成

分析研究了１９９３年和１９９４年的８月、９月在香河地区上空采集的单个气溶胶粒子的形态及化学元素和化合物的组成。结果表明：１９９３年,在对流层大气中的气溶胶颗粒经常出现不规则形的粒子,可能是土壤粒子;而在平流层大气中的颗粒以具有“卫星”结构的硫酸粒子为主;硫酸铵粒子则经常出现在对流层的中、下部。香河地区上空颗粒物的化学元素组成比较复杂,单一化学元素组成的粒子较少,粒子主要含有Ｓｉ,Ｆｅ,Ａｌ和Ｓ等元素。气溶胶的化合物有硫酸盐、硅酸盐、硝酸盐和磷酸盐等     

基于傅里叶变换质谱的烃源岩成熟度评价方法及地质意义

<正>伴随非常规油气资源的勘探开发,油气资源开采的广度和深度进一步扩大,一定程度上缓解了我国油气供需矛盾、保障了我国能源安全,同时有力推动了能源结构战略转型。但同时也对能源地质研究工作提出了新的挑战。有机质成熟度是油气评价的重要参数之一,不同成熟阶段的有机质会对应产出不同成因、不同性质、不同质量的油气,如何准确评价沉积有机质成熟度是当前油气资源勘探开发工作的关键问题之一。前人在科研实践工作中从光学、化学、谱学等角度提出了适用条件各异的成熟度评价方法,在部分地质环境中获得了良好的应用效果,但已有的成熟度指标多受测定方法原理的制约导致其适用性不同程度受限(肖贤明等,2020),制约了油气资源的高质量勘探开发。     

吹扫捕集-气相色谱/质谱法测定地下水中的挥发性有机物

利用吹扫捕集-气相色谱/质谱联用技术,建立了适用于地下水中氯代烃、苯系物、氯代苯类等25种挥发性有机污染物的分析方法。采用选择离子监测与全扫描交替方式进行质谱定性,内标法定量,方法检出限为0.10～0.20μg/L,样品加标的平均回收率在83.9%～104.5%,相对标准偏差(RSD,n=7)在3.23%～10.1%。方法检出限低,精密度好,分析快速,适用于大批量地下水中挥发性有机物的分析。     

苯酰胺类化合物防污活性基团的初步探索

开发绿色环保防污剂是海洋船舶防污涂料研究的重要方向,查明防污活性化合物分子结构中的防污活性基团,是设计开发新型防污剂的关键。本文合成了三种结构相似的苯酰胺类化合物HNOB、DOLPA和DHNOB,通过FTIR,1H NMR,13C NMR测试表征三种化合物的分子结构,利用典型污损生物硅藻和贻贝作为目标生物,测试其对硅藻和贻贝附着的影响,并将分子结构与防污活性进行对比,初步探讨影响防污性能的活性基团。硅藻和贻贝附着实验均表明,HNOB的防污性能较好,半数抑制浓度远低于DOLPA和DHNOB。通过结构对比分析发现,极性和非极性结构的协同作用比单一的极性基团或非极性长碳链基团能更好地赋予苯酰胺类物质良好的防污性能。该研究初步探讨了苯酰胺类化合物的构效关系,有助于新型防污活性化合物的设计开发和结构优化,并对探究该类化合物防除污损生物附着的机理和快速筛选有潜力的防污化合物具有重要意义。     

平湖油气田主断裂西部烃源评价及油源对比

平湖油气田主力含油气区位于平湖主断裂以东区域,油源主要来源于东部生烃凹陷的半封闭海湾暗色泥岩和煤层.公司于2011年11月在主断裂西部钻了一口探井XY井,目的是为探测主断裂西部含油气情况,扩大油气储量.结果钻遇油气层12m,测试获日产气14.66×104m3,日产油107.8 m3,取得了一定突破.为进一步评价西部含油气规模,钻后进行了油源对比研究,认为西部的油气主要是东部运移聚集的结果,西部源岩也有一定贡献.西部有形成一定规模油气藏的潜力.