硝基苯气相氟代脱硝反应热安全性的理论研究

为研究硝基苯气相氟代脱硝反应的热安全性,采用Gaussian98软件,运用密度泛函理论(DFT)B3LYP,在6-31G(D)基组水平上,全优化计算气相条件下氟离子对硝基苯进攻的氟代脱硝反应的微观机理,得到反应路径并通过IRC验证,并对反应过程中反应物,各中间体、过渡态、产物进行分子几何构型优化,标准热力学函数计算。理论计算研究表明:该反应属于SN2亲核取代反应;反应能垒较低,反应所需能量可以从过程R→IM1和TS3→P所释放的能量(279.06 kJ/mol,143.34 kJ/mol)中获得;与席曼反应相比较,该反应速率下降3个数量级,热安全性更高,符合化工工程设计的本质安全化要求,具有广阔的应用前景。     

基于MMAS-BP的煤与瓦斯突出强度预测

为提高煤与瓦斯突出强度的预测精度及预测速度,用最大最小蚂蚁系统和BP神经网络相结合的方法进行预测模型设计。根据煤与瓦斯突出强度及其主要影响因素之间的关系数据,建立其神经网络的预测模型。以网络的权值和阈值为自变量,网络误差为目标函数,通过蚁群算法的迭代运算,搜索出误差的全局最小值,以实现BP神经网络的初始权值、阈值优化,并用优化后的网络进行瓦斯突出强度的预测。实例结果表明,MMAS-BP算法的预测值均方差为0.089,约为BP神经网络的0.1倍,且输出稳定性好,适用于煤与瓦斯突出强度的预测。     

综合交通枢纽运营安全集成管理机制的构建

为提高综合交通枢纽(ITH)运营安全管理的效率和效果,从脆弱性的角度,分析综合交通枢纽运营安全事故的机理和运营安全管理的特性,构建综合交通枢纽运营安全集成管理机制。该机制以安全信息、安全组织和安全资源的协调、集成和优化为核心,包含干扰监测、威胁预警、漏洞修复、事故控制、鲁棒性提升和应急与恢复等实施机制。建立包含管理措施和技术手段的支撑体系。研究表明:脆弱性是综合交通枢纽运营安全事故发生的根源;该机制以脆弱性为突破口,通过若干管理措施和技术手段,能够实现综合交通枢纽运营安全的全要素、全过程和全资源的集成管理。     

硫酸铜和氰戊菊酯对斑马鱼急性毒性试验

为探究重金属和农药对斑马鱼的毒性与安全评价,选用硫酸铜、氰戊菊酯对斑马鱼进行急性毒性试验,以24～96h半致死浓度(LC50)判定斑马鱼对这两种药物的敏感性.结果表明,硫酸铜24 hLC50、48h LC50、72 h LC50、96h LC50分别为12mg/L、7.9 mg/L、6.8mg/L、5.4 mg/L;氰戊菊酯24 h LC50、48h LC50、72h LC50、96h LC50分别为1.2×10-4 mg/L、0.9×10-4 mg/L、0.9×10-4 mg/L、0.9×10-4 mg/L; 硫酸铜安全质量浓度为1.03mg/L,氰戊菊酯为1.52×1O-5 mg/L.参照我国化学物质对鱼类毒性分级标准,判定硫酸铜对斑马鱼急性毒性为Ⅱ级,氰戊菊酯对斑马鱼急性毒性为Ⅰ级.     

杂质对硝酸铵水溶液临界爆炸温度的影响

利用自制装置对含杂质的硝酸铵水溶液临界爆炸温度进行测试研究.结果表明,Cl-单独作用在一定程度上抑制硝酸铵溶液的热分解,提高了其临界爆炸温度;pH值一定时,随着Cl-浓度的增大,硝酸铵水溶液的临界爆炸温度呈指数形式降低;Cl-浓度一定时,pH值越小,硝酸铵水溶液的临界爆炸温度越低;油脂会降低硝酸铵溶液的热稳定性.该结果...     

顶板瓦斯高抽巷合理抽放负压数值模拟研究

顶板瓦斯高抽巷的抽采效果与抽放负压直接相关.结合阳煤三矿K8206大采长综放 面顶板瓦斯高抽巷实际抽采效果,通过数值模拟与现场实测数据分析,得出顶板瓦斯高抽巷 抽采正常期最优抽放负压,以期对高瓦斯矿区顶板瓦斯高抽巷的合理抽放参数确定提供科学依据,实现矿井的煤与瓦斯安全高效共采.     

炼油厂VOCs排放及其对O3生成的敏感性研究

对某炼油石化厂进行了O3体积分数和VOCs的监测分析,获得炼油厂周边地区各月O3的体积分数变化特征和日O3体积分数变化特征.研究发现,该炼油厂地区O3体积分数经常超过国家二级标准,说明该地区O3污染严重.该地区O3日变化曲线不同于所在城市中心的O3变化特征.炼油厂地区O3体积分数在6-8月显示出双峰特性以及更长的最大值持续时间.与此同时,在5月、9月、10月使用SUMMA采样罐在炼油厂厂界进行VOCs样品采集,使用气相色谱质谱联用仪(GC - MS)对样品进行分析,得到厂界VOCs各组分的体积分数,烷烃比例最高,约82.6％,其中直链烷烃占49.9％,而芳香烃和烯烃仅为10.2％和7.5％.VOCs监测结果与文献相近,烯烃排放量略低.此外,为了对炼油石化厂排放的VOCs各物种敏感性特征进行量化描述,利用丙烯等效浓度法,对炼油厂区域各VOCs物种的反应活性进行了归一化研究,量化了该地区各物种的反应活性,获得了综合反应活性较强的5种烯烃、4种直链烷烃和1种环烷烃.     

铅锌冶炼废水处理后沉渣重金属元素特征与环境活性研究

通过扫描电子显微镜与X射线衍射仪分析、BCR法三步连续提取及元素化学分析,对铅锌冶炼废水处理后沉渣中重金属的赋存状态、环境活性进行研究。结果表明,沉渣中主要毒害元素为Zn、Pb、Mn、Cd和Cu,且以非晶态存在,其含量分别为62350、29530、7650、4530和830 mg/kg。渣中Zn和Cd酸可提取态所占比例较大,分别为37.72%和34.44%; Mn的可还原态相对含量很高,达到49.67%;Zn和Pb的可氧化态含量较高,分别占全量的34.16%、34.68%;Pb和Cu的残渣态含量较高,分别占全量的39.72%和61.69%。     

Using hybrid method to evaluate the green performance in uncertainty

Green performance measure is vital for enterprises in making continuous improvements to maintain sustainable competitive advantages. Evaluation of green performance, however, is a challenging task due to the dependence complexity of the aspects, criteria, and the linguistic vagueness of some qualitative information and quantitative data together. To deal with this issue, this study proposes a novel approach to evaluate the dependence aspects and criteria of firm??s green performance. The rationale of the proposed approach, namely green network balanced scorecard, is using balanced scorecard to combine fuzzy set theory with analytical network process (ANP) and importance-performance analysis (IPA) methods, wherein fuzzy set theory accounts for the linguistic vagueness of qualitative criteria and ANP converts the relations among the dependence aspects and criteria into an intelligible structural modeling used IPA. For the empirical case study, four dependence aspects and 34 green performance criteria for PCB firms in Taiwan were evaluated. The managerial implications are discussed.     

Short-range transport of contaminants released from e-waste recycling site in South China

The transport behaviors of a suite of contaminants released from electronic waste (e-waste) recycling operations, including polybrominated diphenyl ethers (PBDEs), polychlorinated biphenyls (PCBs), and heavy metals, were evaluated by analyzing the contaminant residues in surface soils sampled in the surrounding area of an e-waste recycling site in South China. Concentrations of PBDEs and PCBs in the soil samples ranged from 0.565 to 2908 ng g(-1) dw and from 0.267 to 1891 ng g(-1) dw, respectively, while soil residues were 0.082-2.56, 3.22-287, and 16.3-162 μg g(-1) dw for Cd, Cu, and Pb, respectively. Concentrations of PBDEs and PCBs in soil decreased with increasing distance from the source of pollution, indicating possible PBDE and PCB contamination in the surrounding areas due to the short-range transport of these compounds from the e-waste recycling site. Although no significant difference in the short-range transport potential among PBDE and PCB congeners was observed, reductions in concentrations of the highly-brominated-BDEs and highly-chlorinated-CBs were slightly quicker than those of their less-halogen-substituted counterparts. Conversely, heavy metals showed the lowest transport potential due to their low vapor pressure, and results showed metals would remain near the pollution source instead of diffusing into the surrounding areas. Finally, mass inventories in areas near the e-waste site were 0.920, 0.134, 0.860, 4.68, 757, and 673 tons for BDE209, PBDEs (excluding BDE209), PCBs, Cd, Cu, and Pb, respectively.