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VALIDATION OF THE NARCOSIS TARGET LIPID MODEL FOR PETROLEUM PRODUCTS: GASOLINE AS A CASE STUDY

机译:石油产品麻醉性目标脂质模型的验证:以汽油为例

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The narcosis target lipid model (NTLM) was used to predict the toxicity of water-accommodated fractions (WAFs) of six gasoline blending streams to algae (Pseudokirchnereilla subcapitata, formerly Selenastrum capricornutum), juvenile rainbow trout (Oncorhynchus mykiss), and water flea (Daphnia magna). Gasolines are comprised of hydrocarbons that on dissolution into the aqueous phase are expected to act via narcosis. Aquatic toxicity data were obtained using a lethal-loading test in which WAFs were prepared using different gasoline loadings. The compositions of the gasolines were determined by analysis of C_3 to C_(13) hydrocarbons grouped in classes of n-alkanes, iso-alkanes, aromatics, cyclic alkanes, and olefins. A model was developed to compute the concentrations of hydrocarbon blocks in WAFs based on gasoline composition and loading. The model accounts for the volume change of the gasoline, which varies depending on loading and volatilization loss. The predicted aqueous composition of WAFs compared favorably to measurements, and the predicted aqueous concentrations of WAFs were used in the NTLM to predict the aquatic toxicity of the gasolines. For each gasoline loading and species, total toxic units (TUs) were computed with an assumption of additivity. The acute toxicity of gasolines was predicted to within a factor of two for algae and daphnids. Predicted TUs overestimated toxicity to trout because of experimental factors that were not considered in the model. This analysis demonstrates the importance of aliphatic hydrocarbon loss to headspace during WAF preparation and the contribution of both aromatic and aliphatic hydrocarbons test to the toxicity of gasolines in closed systems and loss of aliphatics to headspace during WAF preparation. Model calculations indicate that satisfactory toxicity predictions can be achieved by describing gasoline composition using a limited number of aromatic and aliphatic hydrocarbon blocks with different octanol—water partition coefficients.
机译:使用麻醉目标脂质模型(NTLM)来预测六种汽油混合流的水可吸收馏分(WAF)对藻类(Pseudokirchnereilla subcapitata),少年虹鳟鱼(Oncorhynchus mykiss)和水蚤(水蚤(Daphnia magna)。汽油由碳氢化合物组成,这些碳氢化合物在溶解到水相后有望通过麻醉作用起作用。使用致命负荷测试获得水生毒性数据,其中使用不同的汽油负荷制备WAF。通过分析正构烷烃,异烷烃,芳烃,环状烷烃和烯烃中的C_3至C_(13)烃来确定汽油的组成。开发了一个模型来根据汽油成分和负载量计算WAF中的烃块浓度。该模型说明了汽油的体积变化,该变化随负载和挥发损失而变化。 WAFs的预测水组成与测量结果相吻合,在NTLM中将WAF的预测水浓度用于预测汽油的水生毒性。对于每种汽油装载量和种类,在假定加性的情况下计算了总毒性单位(TU)。藻类和水蚤的汽油急性毒性预计在两倍之内。由于模型中未考虑实验因素,因此预测的TUs高估了鳟鱼的毒性。该分析表明,在WAF制备过程中脂族烃损失对顶空的重要性,以及芳族和脂族烃测试对封闭系统中汽油毒性的影响以及在WAF制备过程中脂族烃对顶空的损失。模型计算表明,通过使用有限数量的具有不同辛醇-水分配系数的芳族和脂族烃嵌段描述汽油成分,可以实现令人满意的毒性预测。

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