水中有机污染物微观分布的理论模型与方法

考虑实际水体,建立了有机污染物在水中分布的理论模型,用物理化学方法推导出计算污染物在水体中分布的数学方程式和数学解析式.用MNDO方法计算了卤代苯的相对分布值(PN),结果与辛醇-水分配系数实验值相符合.     

取代酚及其酚钾与四氰基乙烯的电荷转移络合作用

本文以八种取代酚及相应的取代酚钾作为电子给体,以四氰基乙烯(TCNE)作为电子受体,在乙腈溶液中用紫外可见分光光度法测定了取代酚及相应的取代酚钾与TCNE作用的电荷转移络合物的光谱,以其CT光谱用比较法计算了取代酚及相应的取代酚钾的电离势。结果表明,除4-氰基苯酚外,其余取代酚及取代酚钾均可与TCNE形成电荷转移络合物,取代酚钾比相应的取代酚有更好的给电子能力,取代酚的电子转移能与Hammet取代基常数有较好的线性相关关系。     

ZnO·WO3悬浮水溶液中SO2的光催化氧化

本文考察了ZnO·WO₃悬浮水溶液中污染物SO₂的可见光催化氧化并建议通空气处理较高浓度的SO₃^2-扩水溶液。含0.15mol/LSO₃^2-水溶液可见光照2h可将SO₃^2-基本上光催化氧化成SO₄^2-。对这光助SO₃^2-自发氧化反应中可能平行存在的自发、多相催化、光化学和光催化等反应进行实验对比;筛选出克分子比0.5ZnO·WO为最佳掺杂配比;考察了光催化剂热处理、空气流量、pH对光催化活性的影响,得出pH7.5为最佳值;太阳光催化SO₃^2-氧化速率比室内实验更快,展现了利用太阳能于环保的应用前景,对所有实验结果都给以理论解释,并提出一个较详细的反应机理。     

Solvent Mixture Optimization in the Extraction of Bioactive Compounds and Antioxidant Activities from Garlic (Allium sativum L.)

Garlic is a health promoter that has important bioactive compounds. The bioactive extraction is an important step in the analysis of constituents present in plant preparations. The purpose of this study is to optimize the extraction with the best proportion of solvents to obtain total phenolic compounds (TPC) and thiosulfinates (TS) from dried garlic powder, and evaluate the antioxidant activities of the optimized extracts. A statistical mixture simplex axial design was used to evaluate the effect of solvents (water, ethanol, and acetone), as well as mixtures of these solvents, after two ultrasound extraction cycles of 15 min. Results showed that solvent mixtures with a high portion of water and pure water were efficient for TPC and TS recovery through this extraction procedure. According to the regression model computed, the most significant solvent mixtures to obtain high TPC and TS recovery from dried garlic powder are, respectively, the binary mixture with 75% water and 25% acetone and pure water. These optimized extracts presented oxygen radical absorbance capacity. Pure water was better for total antioxidant capacity, and the binary mixture of water–acetone (75:25) was better for DPPH scavenging activity. These optimized extracts can be used for industrial and research applications.     

Separation of Pyrimidine Bases on a HPLC Stationary RP-18 Phase Coated with Calix[4]resorcinarene

Lipophilic calix[4]resorcinarenes, derived from lauryl aldehyde and resorcinol, are strongly adsorbed on the modified silica gel RP-18 for HPLC chromatography, while their solutions are passed through the column. The calix[4]resorcinarene-coated RP-18 phases were found to be useful beds for HPLC separation of uracil, thymine and cytosine.     

Parallel computation of atmospheric pollutant dispersion under unstably stratified atmosphere

Pollutant dispersion under unstably stratified atmosphere was investigated numerically using the finite element method. The effects of atmospheric stability on plume trajectory were studied using a three-dimensional second-order closure dispersion model. The numerical model was implemented using domain decomposition method and carried out using a parallel computer. The computation accelerates significantly and the size of computation can be largely increased as a result of the parallelism. A passive contaminant point source was placed at the middle of the convective boundary layer to simulate the atmospheric dispersion. The requirement of the input of dispersion coefficients in k-theory and Gaussian models was replaced with direct input of turbulence flow data. It was found that the present numerical model can predict several non-Gaussian plume behaviours and the computed results agreed well with findings from experimental observations. © 1998 John Wiley & Sons, Ltd.