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1.
Ravikumar KVG Debayan Ghosh Mrudula Pulimi Chandrasekaran Natarajan Amitava Mukherjee 《Frontiers of Environmental Science & Engineering》2020,14(1):16
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Organic flammable liquids and their mixtures, which possess high risk of combustion and explosion, are widely used as raw materials and solvents in chemical and pharmaceutical industries. Lower flammability limits (LFL) is one of the most important parameters to characterize the combustion and explosion hazards of combustible gases and liquid vapors. The LFL of various ternary organic mixtures consist of ketone (acetone and butanone), ester (ethyl acetate) and alcohol (ethanol and isopropanol) were tested at 25 °C and atmospheric pressure. The results showed that resulted LFL values of the experiment were always lower than those calculated by volume fraction weighting method when the volume fraction of alcohol was less than 20 vol% but more than 10 vol%. The co-existence of alcohol and ethyl acetate had synergistic effect on reducing the LFL values of ternary organic mixtures and thus increased their explosive risk. The mechanism of synergistic effect was analyzed, and the results showed that the OH· and H· radicals produced by the oxidation decomposition of alcohols and esters accelerated the oxidation process of ternary organic mixtures, which led to the decrease of experimental LFL values and thus corresponding increased of their explosive risk. This study would be expected to provide some guidance for designing or choosing safer and more suitable ternary organic mixtures prior to their applications for engineering. 相似文献
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基于拓扑理论计算了7种氯代苯胺分子的Kier和Hall的原子类型电性拓扑状态指数(E)f。通过多元线性回归和最佳变量子集回归方法建立了氯代苯胺对斑马鱼急性毒性(pLC5)0与其电性拓扑状态指数的最佳二元定量构效关系(QSAR)模型,其传统判定系数(R)2为0.978,逐一剔除法(LOO)的交互验证系数(Q)2为0.964。根据统计学观点,该模型具有良好的稳健性及预测能力,用该模型给出的估算值和实验值非常接近,优于相关文献的计算结果。从进入该QSAR模型的2个电性拓扑状态指数(E9,E2)6可见,所建的数学方程显示芳环内=C<及硝基中氮原子(=N≤)是影响其pLC50的主要结构因素。 相似文献
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文章采用析因设计的方法,研究沉积物水浸提液掺杂的多种重金属Cu、Cd、Zn、Pb和Ni对发光菌的联合毒性。通过对试验结果进行方差分析和多元线性回归,建立了重金属浓度和发光菌发光抑制率的关系模型:T=97.983Cu+41.111Cd-27.297Zn+129.869Pb+16.715Ni-5 803.639Cu*Cd+2 270.182Cd*Zn-6 411.870Cd*Pb-675.052Cd*Ni-3 108.544Pb*Ni+15 9552.434Cd*Pb*Ni+274 718.434Zn*Pb*Ni。模型分析结果表明:Zn对联合毒性产生负的影响,Cu、Cd、Pb、Ni对联合毒性具有正的贡献;Cd*Zn二元交互作用和Cd*Pb*Ni、Zn*Pb*Ni三元交互作用表现为协同作用,Cu*Cd、Cd*Pb、Cd*Ni、Pb*Ni二元交互作用表现为拮抗作用,而重金属四元和五元交互作用对联合毒性的贡献不显著。上述重金属联合毒性的作用可为沉积物中重金属复合污染控制提供参考。 相似文献
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工业的快速发展和溢油事故的频繁发生所产生的大量芳烃化合物正威胁海洋生态系统的健康,建立芳烃化合物物化性质与小球藻急性毒性间的非线性模型,是预测未知芳烃化合物对藻类毒性的主要手段之一.本研究以实验获取的25种芳烃化合物对小球藻96h的毒性数据为基础,采用密度泛函理论(DFT)中的B3LYP方法,在6-311G**基组上全优化计算25种芳烃化合物结构参数和热力学参数,通过逐步广义线性回归(GLM)、小波神经网络(WNN)和T-S模糊神经网络(T-SFNN)等方法,对芳烃化合物物化性质和藻类抑制毒性的非线性关系进行拟合和逼近.F检验表明,逐步GLM方程是显著的(p<0.001).配对t检验表明,GLM、WNN、T-SFNN3种模型都是可信的;决定系数(R2>0.96)表明3个模型具有很高的精确性.上述结果证明本文建立的模型具有良好的拟合度和解释能力,可以预测未知芳烃化合物对小球藻的急性毒性.模型误差计算结果表明,WNN的精度最高(mse=0.0076,mae=0.0533),采用WNN方法进行建模,预测未知芳烃化合物对小球藻的急性毒性是最合适的. 相似文献
8.
Jun''an Cui Zhiyong Zhang Wei Bai Ligang Zhang Xiao He Yuhui M Yan Liu Zhifang Chai 《环境科学学报(英文版)》2012,24(2):209-213
In recent years, with the wide applications and mineral exploitation of rare earth elements, their potential environmental and health effects have caused increasing public concern. Effect of rare earth elements La and Yb on the morphological and functional development of zebrafish embryos were studied. The embryos were exposed to La3+ or Yb3+ at 0, 0.01, 0.1, 0.3, 0.5 and 1.0 mmol/L, respectively. Early life stage parameters such as egg and embryo mortality, gastrula development, tail detachment, eyes, somite formation, circulatory system, pigmentation, malformations, hatching rate, length of larvae and mortality were investigated. The results showed La3+ and Yb3+ delayed zebrafish embryo and larval development, decreased survival and hatching rates, and caused tail malformation in a concentration-dependent way. Moreover, heavy rare-earth ytterbium led to more severe acute toxicity of zebrafish embryo than light rare-earth lanthanum. 相似文献
9.
We aim to investigate the effects of humic acid (HA) and citric acid (CA) on the toxicity and subcellular distribution of Cd in wheat. Results show that the toxicity and uptake of Cd decreased with increasing HA. The EC50 values of Cd increased from 3.36 μmol/L to 4.96 and 7.33 μmol/L at 50 and 250 mg/L HA, respectively, but decreased to 1.39 μmol/L in the presence of CA based on free ion activity model (FIAM). HA decreased the relative subcellular distribution of Cd in the heat-denatured proteins (decreased from 54% to 33%) but increased Cd in the heat-stable proteins in root (from 25% to 50%) at 7.61 μmol/L {Cd2+} (free Cd activity), which resulted in decreasing Cd toxicity. However, CA increased Cd toxicity due to the increased internalization of Cd although the relative subcellular distributions of Cd exhibited a decrease in the heat-denatured proteins and increase in the granule fraction compared to the control at high-level Cd. The FIAM could not predict the toxicity of Cd in the presence of organic acids. Alternatively, the internal Cd accumulation and subcellular Cd concentration were better to describe the toxicity of Cd to wheat. 相似文献
10.
以精密陶瓷制造过程中排放的甲苯和异丙醇混合气体为目标气体,采用4段活性炭吸附柱串联吸附实验方式研究了混合组分气体直接吸附分离回收的可行性.结果表明,异丙醇和甲苯这2种物性具有一定差异的物质在吸附床的长度方向存在明显的分层吸附现象.在表观气速0.42 m·s-1、异丙醇与甲苯入口浓度分别为477 mg·m-3和746 mg·m-3、吸附柱总长为26cm条件下,通气吸附798 min时,0~10 cm长度段炭层吸附甲苯量为184.5 mg·g-1,吸附异丙醇量为0 mg·g-1,而21~26 cm长度段炭层吸附甲苯量为0.92 mg·g-1,吸附异丙醇量为91.2 mg·g-1,通过分段再生回收分别得到了纯度99%以上的甲苯和异丙醇回收液.弱吸附质异丙醇在吸附过程中存在气相浓度增浓现象,该现象导致实验条件下部分活性炭层区域对异丙醇的吸附量提高了27%以上.通过多段串联吸附、分段再生回收的方式可以实现混合气体的直接吸附分离回收. 相似文献