突发事件连锁反应的实证研究——以2008年初我国南方冰雪灾害为例

从突发事件连锁反应分析,认为2008年初我国南方的冰雪灾害是由自然灾害引发的连锁反应事件。选择了新浪网冰雪灾害报道专题的近4 000篇报道作为数据源,从时间、空间和事件角度揭示了此次冰雪灾害的演化过程,并分析了事件扩散的原因。     

α-Fe2O3/AC催化剂的制备及光Fenton反应降解双酚A

采用温和的无模板溶液反应合成了α-Fe₂O₃/AC复合催化剂,作为光Fenton降解双酚A反应的催化剂。通过XRD、SEM、FTIR、DRS、BET、XPS等方法对催化剂的形貌和理化特性进行了分析。结果表明：该催化剂晶型良好,为介孔材料,能够有效吸收和利用紫外光和可见光;该催化剂具有较高的催化活性,稳定性良好;在初始双酚A质量浓度为30 mg/L、溶液pH为4、H₂O₂加入量为320 mg/L、反应温度为40 ℃、催化剂加入量为1.33 g/L的条件下,双酚A降解率可达91.4%。     

Polyoxometalates for photocatalytic degradation of aqueous dyestuff solutions and quantitative structure–property relationship study on photolysis rate constants

Polyoxometalate, K₆TiW₁₁O₃₉Sn·7H₂O (TiW₁₁Sn), was synthesized and characterized. TiW₁₁Sn and K₆ZrW₁₁O₃₉Sn·12H₂O (ZrW₁₁Sn) were evaluated for their photocatalytic degradation of triarylmethane (brilliant green and acid blue 9), bisazo (C.I. reactive black 5), and monoazo dyestuffs (C.I. reactive red 24, C.I. reactive red 194, and C.I. reactive orange 5) with natural sunlight in homogeneous aqueous solutions. TiW₁₁Sn and ZrW₁₁Sn effectively and photocatalytically decolorized the dyestuffs. The TiW₁₁Sn- and ZrW₁₁Sn-mediated photocatalytic degradation of the dyestuffs involved a pseudo-first-order reaction and was modeled by Langmuir–Hinshelwood-type kinetics. The observed pseudo-first-order rate constants (K^/) of triarylmethane dyestuffs were generally bigger than that of the azo dyestuffs. Quantitative structure–property relationship models of the K^/ of the dyestuffs were developed using partial least-square regression. The cumulative variance of the dependent variable explained by the partial least-square components was > 0.753 for each optimal model. This value indicated that the model had good predictive ability and robustness. The K^/ values of the dyestuffs were related to the energy of the lowest unoccupied molecular orbital, and the most positive net atomic charges on a sulfur atom of dyestuffs. The linear correlation coefficients between the predicted and experimental values were all > 0.9950.     

Carbofuran removal in continuous-photocatalytic reactor: Reactor optimization,rate-constant determination and carbofuran degradation pathway analysis

Carbofuran (CBF) removal in a continuous-flow photocatalytic reactor with granular activated carbon supported titanium dioxide (GAC-TiO₂) catalyst was investigated. The effects of feed flow rate, TiO₂ concentration and addition of supplementary oxidants on CBF removal were investigated. The central composite design (CCD) was used to design the experiments and to estimate the effects of feed flow rate and TiO₂ concentration on CBF removal. The outcome of CCD experiments demonstrated that reactor performance was influenced mainly by feed flow rate compared to TiO₂ concentration. A second-order polynomial model developed based on CCD experiments fitted the experimental data with good correlation (R² ～ 0.964). The addition of 1 mL min^?1 hydrogen peroxide has shown complete CBF degradation and 76% chemical oxygen demand removal under the following operating conditions of CBF ～50 mg L^?1, TiO₂ ～5 mg L^?1 and feed flow rate ～82.5 mL min^?1. Rate constant of the photodegradation process was also calculated by applying the kinetic data in pseudo-first-order kinetics. Four major degradation intermediates of CBF were identified using GC-MS analysis. As a whole, the reactor system and GAC-TiO₂ catalyst used could be constructive in cost-effective CBF removal with no impact to receiving environment through getaway of photocatalyst.     

燃料NO生成的总包反应速率

基于全面化学反应体系,对燃料ＮＯ的反应特性进行了详细的数值计算和理论分析,指出了目前应用较多的ＤｅＳｏｅｔｅＮＯ总反应模型的不足,同时,通过引入燃料氮氧化过程中关联组分Ｏ与ＯＨ离子的浓度和,用多元回归的方法得到了燃料ＮＯ生成的总包反应速率表达式。     

加压条件下石灰石的脱硫反应研究

对石灰石在加压条件下的脱硫反应进行了实验研究。实验采用加压热重分析（PTGA）法,得出了加压时石灰石脱硫反应转化率数据。当压力为1.15MPa时,转化率在30.5％～45％之间。测定了加压条件下反应温度、SO₂浓度和石灰石品种对CaCO₃转化率的影响并建立了反应数学模型并由模型计算了脱硫反应动力学参数。最后对反应机理进行了分析。     

近地层氮氧化物和臭氧的区域分布研究

介绍了近地层氮氧化物和臭氧的区域分布研究方法,使用简化的区域尺度大气污染物传输模型和光化学反应模型,模拟计算了1990年中国主要城市排放氮氧化物的情景下,夏季(7月)主要城市的氮氧化物和相应的臭氧在近地层的浓度分布。      

燃煤流化床中N2O生成与分解的均相反应机理

介绍由燃料氮生成Ｎ２Ｏ的主要途径是：ＮＣＯ→ＮＯ→Ｎ２Ｏ＋ＣＯ,ＮＨ＋ＮＯ→Ｎ２Ｏ＋Ｈ;分解Ｎ２Ｏ的主要反应是：Ｎ２Ｏ＋Ｈ→Ｎ２十ＯＨ。分析了挥发分中的燃料氮成分、煤种、炉内温度、过量空气系数、分级与单级燃烧方式等因素对Ｎ２Ｏ排放的影响。     

甲苯法生产己内酰胺污水治理研究

通过对己内酰胺生产污水治理的研究 ,总结出以ENSBR法处理高含氮、高浓度有机物污水的一些规律 ,以及CODCr负荷、氨化作用、碱度 (pH值 )等对硝化反应的影响。     

大气臭氧损耗中双自由基反应机理的量子化学研究

用量子化学ＲＨＦ理论方法研究了单重态双自由基ＮＨ,ＣＨ２、ＣＣＬ２与大气臭氧Ｏ３的反应机理。在３－２１Ｇ水平上用梯度解析技术优化了上述瓜在的反应物、中间体和产物构型,６－３１Ｇ或６－２１Ｇ计算能量,得到了各构型的有关结构数据。计算表明：上述反应分２步进行,双自由基先与Ｏ３反应生成稳定的中间体,然后在光照条件下中间体分解为ＮＨＯ、Ｈ２Ｃ烽ＣＬ２ＣＯ等稳定分子。从动力学看,２步反应分别为「π４ｓ＋Ｗ２