Micelles-template induced organic nanocrystals based on iodo…nitro interactions

The nanocrystals based on a polar organic compound INBP （4-iodo-4＇-nitrobiphenyl） have been fabricated by reprecipitation approach. For the formation of INBP based nanocrystals, the intermolecular iodo…nitro interaction is the dominant driving force and the micelles formed by the surfactant CTAB （cetyltrimethylammonium bromide） molecules are the efficient templates for controlling morphologies of nanocrystals. The field emission scanning electro microscope （FESEM） images demonstrated that prism-like and needle-like nanocrystals of INBP were formed in pure water and micell containing aqueous solution, respectively. XRD pattern and UV/vis absorption spectra were employed to characterize the nanocrystals.     

窄间隙介质阻挡放电转化甲烷的研究

在常温常压无催化剂条件下,对介质阻挡放电甲烷与氧气的合成进行了研究.试验了原料气体总流量、氧的体积分数和激励电压等参数对甲烷转化率、甲醇及C2H4收率的影响,并研究了不同氧的体积分数下甲烷转化率和消耗功率的关系.甲烷和氧气的总流量为1 000 mL/min时,CH4转化率保持在70%以上,最高达到81.1%;氧气的加入提高了甲醇的收率,当氧的体积分数为18.26%时甲醇收率达到12.33%;激励电压在1 850~1 900 V时,CH4转化率、甲醇和C2H4的收率均出现了最大值;随着消耗功率的减少,CH4转化率也随之降低.     

Fate of secondary effluent dissolved organic matter during soil-aquifer treatment

The reduction of mass and trihalomethane formation potential (THMFP) of dissolved organic matter (DOM) and its fractions from secondary effluent during laboratory-scale soil-aquifer treatment (SAT) soil columns were studied. Reduction in dissolved organic carbon (DOC), absorbance of ultraviolet light at 254 nm (UV-254), biodegradable dissolved organic carbon (BDOC) and nonbiodegradable dis- solved organic carbon (NBDOC) for the bulk DOM averaged 72.35%, 53.98%, 97.49% and 35.33% across the soil columns, respectively. Using XAD-8 and XAD-4 resins, DOM was fractionated into 3 fractions: hydrophobic acid (HPO-A), transphilic acid (TPI-A) and hydrophilic fraction (HPI). HPO-A was removed by 61.06%, TPI-A by 54.86% and HPI by 74.95% as DOC as a consequence of the laboratory-scale SAT, respectively. The reduction of THMFP from HPO-A, TPI-A and HPI was 27.24%, 26.24% and 36.08%, respectively. Proton nuclear magnetic resonance (1H-NMR) spectra revealed that the HPO-A isolated from the secondary effluent contained more aromatic functional groups than the corresponding TPI-A. Fourier-transform infrared (FT-IR) spectrum analysis illustrated that TPI-A had decreased hydrocarbon and increased aromatics content in the SAT columns. Specific ultraviolet light absorbance (SUVA) and specific THMFP for each DOM fraction increased across the soil columns and HPI exhibited greater increase in both than HPO-A and TPI-A. The most problematic THM precursor was found to be HPO-A with its high quantity present in recharged water and high chlorine reactivity.     

基于AMl量化参数的卤代甲烷Δ_fH_m~θRBF—NN模型的构建

应用G98W程序包中的AMl方法对45个卤代甲烷分子进行优化计算,所得中心碳原子的静电荷密度(Qc)、分子的最高占据轨道能级(HOMO)和最低空轨道能级(LUMO)量化参数作为径向基人工神经网络的输入向量,选用df=10,eg=10-3对卤代甲烷ΔfHθm进行建模,所建模型预测值与其实验值吻合得很好.故这一新方法具有一定的参考价值.     

化石燃料化学能释放的新认识

基于能的品位概念研究了化学能间接释放过程中化学能和物理能的能量品位关系,提出了化学能梯级利用的新机理.进一步研究了以甲烷为燃料的化学能间接释放过程,揭示了化学能梯级利用现象,并对循环中化学能释放过程进行了热力性能分析.结果表明甲烷化学能间接释放方法能更加有效地利用化学能,与直接释放方法相比,化学能释放过程所获得的热流(火用)增加2%-3%.得到的结果为燃料化学能间接释放过程提供了新认识,并为集成新的热力系统提供了理论依据.     

稀土—二苯甲酰甲烷配合物微晶的合成及荧光光谱

合成了稀土（ＲＥ）二苯甲酰甲烷（ＤＢＭ）配合物ＲＥ（ＤＢＭ）３·Ｈ２Ｏ（ＲＥ＝Ｓｍ、Ｅｕ、Ｔｂ、Ｄｙ、Ｐｒ、Ｎｄ、Ｇｄ、Ｙ）,用红外光谱、紫外光谱及差热热重谱对其进行了表征,用透射电镜观察了该配合物微晶尺寸,并研究了配合物在固态时的荧光光谱．结果表明该系列配合物微晶的尺寸在５０～２５０ｎｍ之间,在ＲＥ（ＤＢＭ）３·Ｈ２Ｏ（ＲＥ＝Ｓｍ、Ｅｕ）中可观察到较强的稀土离子的特征发射,而在ＲＥ（ＤＢＭ）３·Ｈ２Ｏ（ＲＥ＝Ｔｂ、Ｄｙ）中只能观察到配体自身发射     

DSA催化电极降解对硝基苯酚的研究

对硝基苯酚是一种芳香族的急性剧毒有机污染物,不仅危害大而且来源广泛,众多行业产生的污水中都包含对硝基苯酚。为了找到一种适合的DSA阳极来高效率地降解对硝基苯酚,对四种不同材料的阳极电极（钌铱钛（Ti/TiO2-IrO2-RuO2）、钌铱钛锡（Ti/TiO2-IrO2-RuO2-SnO2）、铱钽钛（Ti/TiO2-Ta2O5-IrO2）和铱钽钛锡（Ti/TiO2-Ta2O5-IrO2-SnO2））分别降解对硝基苯酚模拟废水的产物进行了研究,通过紫外分光光度法测定不同时间段的降解产物在最大吸收波长处的吸光度,比较四种阳极电极对对硝基苯酚模拟废水降解效果的优劣,结果显示涂层含有铱钌钛元素的电极对对硝基苯酚的降解效果最佳。由此讨论电极涂层材料在降解过程中所起的作用,提出电极的降解机理。     

脉宽对飞秒强激光场中甲烷离子解离几率的影响

从实验和理论两方面研究了超快激光脉宽对强激光场中甲烷离子解离的影响. 所用飞秒激光波长是800 nm, 峰值强度是8.0´ 10¹³ W/cm². 解离初级碎片离子CH₃⁺ 的相对产量随脉宽增加而增加, 当激光脉宽大于120 fs时趋于饱和. 在理论方面, 我们运用场致解离模型和准经典轨线方法计算了甲烷离子的解离几率; 另外还在分子的取向效应和激光强度空间分布两方面对解离几率进行了修正. 修正后的结果表明甲烷离子C—H键解离至少需要23 fs, 并在100 fs以上脉宽时饱和. 理论结果与实验观察大致相符.     

邻硝基对甲基苯酚的相转移催化合成

研究了用季nin盐作相转移催化剂催化合成邻硝基对甲基苯酚,在18％的硝酸、1．0g催化剂、反应温度20℃～25℃、反应45min的条件下,获得70％以上的产率。此法具有产率高、易操作、反应条件温和、催化剂能重复使用的优点。     

4，4，7，7－四硝基－D_3－三高立方烷的合成

从Ｄ３－三高立方烷－４，７－二酮出发，得到４，７－二硝基－Ｄ３－三高立方烷，通过控制反应时间，可将所得产物进一步分别氧化硝化为４，４，７－三硝基－Ｄ３－三高立方烷和目标化合物４，４，７，７－四硝基－Ｄ３－三高立方烷．