Water transport in polylactic acid (PLA), PLA/ polycaprolactone copolymers, and PLA/polyethylene glycol blends

Polylactic acid (PLA) is a hydrolytically degradable aliphatic polyester, and water vapor permeability may have a significant influence on the rate of degradation. A method is devised to use bags prepared from PLA films and filled with molecular sieves to determine the water vapor permeability in the polymer, its copolymers with caprolactone, and blends with polyethylene glycol. The “solution-diffusion” model is used to determine the permeability parameters. These include the solubility coefficient,S, a measure of the equilibrium water concentration available for hydrolysis and the diffusion coefficient,D, which characterizes the rate of water vapor diffusion into the film under specific conditions. Values ofS andD at 50‡C and 90% relative humidity ranged from 400 × 10^-6 to 1000 × 10^-6 cm³ (STP)/(cm³ Pa) and 0.20 × 10^-6 to 1.0 × 10^-6 cm²/s, respectively. TheS andD coefficients were also measured at 20 and 40‡C and compared to those of other polymers. The degree of crystallinity was found to have little influence on the measured permeability parameters. The heat of sorption, δH_S, and the activation energy of diffusion, E_D, were used to show that the permeability process is best described by the “water cluster” model for hydrophobic polymers. Finally, the diffusion coefficient is used to compare the rate of water diffusion to the rate of water consumption by ester hydrolysis. Results indicate that hydrolytic degradation of PLA is reaction-controlled.     

水稻土壤中硒的价态转化及溶解性研究

以酸性和碱性土壤为实验材料,在ＰＨ６．５和ＰＨ７．５条件下经氧化培养和还原培养,研究了氧化还原电位对水稻土壤中硒的价态及溶解性的影响。     

Two-stage chemical fractionation method for the analysis of elements and non-volatile inorganic ions in PM10 samples: Application to ambient samples collected in Rome (Italy)

A two-stage micro-analytical scheme for the determination of metals and ions in atmospheric particulate matter collected on only one Teflon filter was developed. In the first stage the collected particles are chemically fractionated for their solubility in a pH-buffered extracting solution; in the second stage the residue is mineralised. The major non-volatile inorganic ions (Cl⁻, NO₃⁻, SO₄²⁻, Na⁺, NH₄⁺, Ca²⁺, Mg²⁺) are determined in the first fraction by ion-chromatography (IC), while metals and metalloids (Al, As, Cd, Cr, Cu, Fe, Mg, Mn, Ni, Pb, S, Sb, Se, Si, Ti, V, Zn) are determined in both the acetate extractable and the mineralised residual fractions by inductively coupled plasma optical emission spectroscopy (ICP-OES).The procedure was applied to ambient 24-h PM₁₀ samples collected on Teflon filters during two field campaigns carried out at two sites in the area of Rome (Italy). The variations in the chemical composition of the collected particles during the two periods were interpreted in the light of the dilution properties of the lower atmosphere and of the back-trajectories of the air masses. The difference in the results between the two locations was interpreted in the light of their proximity to the emission sources. It was found that the acetate extractable and the mineralised residual fraction of some metals exhibit a different temporal pattern, suggesting the existence of different emission sources of the two fractions.     

硝基多环芳烃在鱼水系统中的归趋和生物浓缩因子的研究

研究了六种硝基多环芳烃（ＮＯ２－ＰＡＨｓ）在实验室鱼水系统中的归趋，水中ＮＯ２－ＰＡＨｓ的含量在２４ｈ内降低较快；鱼体中积累浓度达最大值的时间各不相同，但在４８ｈ内基本上都达到峰值。测得草鱼对五种ＮＯ２－ＰＡＨｓ的生物浓缩因子在９０－８２０之间，并在生物浓缩因子与正辛醇－水分配系数以及与水溶解度之间建立了线性关系式。     

聚乙烯醇——乳化剂OP——聚乙二醇分光光度法测定湿沉降中硫酸盐

在硫酸钡浊度法测定硫酸盐和聚乙烯醇－聚乙二醇４００－乳化剂ＯＰ－氯化钡体系测定硫酸盐测试条件研究的基础上，研究了胶束增溶分光光度法硫酸盐的新方法。试验结果表明：硫酸盐浓度为０￣５０ｍｇ／ｌ时，曲线相关系数大于０．９９９，加标回收率为９４．６￣１０４．８％，相对标准偏差为２．２％。     

夏季南海气溶胶微量元素浓度、溶解度及干沉降通量

搭载国家自然科学基金委南海东北部共享航次（NORC2017-05），于2017年6月9日-8月11日在南海东北部采集气溶胶样品，使用淋溶装置得到气溶胶中微量元素（Al、Fe、Ti、Cr、V、Ba、Mn、Co、Ni、Pb、Cu、Zn）的溶解态浓度和溶解动力学曲线，混酸消解后用高分辨率电感耦合等离子体质谱测得其总浓度，并计算溶解度和干沉降通量.结果表明，夏季南海北部气溶胶中微量元素溶解态浓度、总浓度和干沉降通量均小于大多数陆架边缘海.微量元素溶解度相对较大，原因主要是气溶胶颗粒经过长距离输运后粒径较小，且经历的大气酸过程和云过程对元素溶解度影响显著.气溶胶中微量元素在Milli-Q水中25 min左右达到溶解平衡，后续以pH=2的HCl淋溶.酸淋溶过程中大部分微量金属的溶解度略有增加，约占水溶出量的30%~50%，而Pb在酸溶液中显著溶出，酸溶出量可达水溶出量的140%，表现出潜在的环境效应.夏季大气气溶胶输送的Fe占南海东北部混合层溶解态Fe的0.13%~6.00%，对浮游植物初级生产具有一定的支持功能.     

对苯二酚在乙醇水混合溶剂中的溶解度

建立了测定固体在液体中溶解度的实验装置,并测定了10～70℃对苯二酚在乙醇、水、乙醇含量(wt%)分别为75%、50%、25%水溶液中的溶解度数据。采用最小二乘法和简单数学模型对实验数据进行关联,模型计算平均相对误差小于2.0%。     

Prediction of aqueous solubility of PCBs based on molecular structure

The thermodynamic relationships among aqueous solubility and molar volume (MV) , total molecular surface area (TSA) and molecular connectivity index (MCI) for highly hydrophobic chemicals. PCBs are established and discussed, respectively. Good linear relationships exist among In Cs and MV, TSA or MCI.     

冬季青岛不同气团来源气溶胶中磷浓度及溶解度

分析了2017-11~2018-01在青岛采集的气溶胶样品中总磷（TP）、溶解态总磷（DTP）、溶解态无机磷（DIP）和溶解态有机磷（DOP）浓度,讨论了来自北方快速移动的干冷气团（NS）和局地停滞性暖湿气团（LS）中气溶胶P浓度和溶解度的差异及其原因.TP浓度在NS和LS气溶胶中分别为（137.3±49.3）ng/m³和（115.8±45.8）ng/m³,DTP对TP的贡献（即P溶解度）分别为（20.7±5.6）%和（45.9±15.7）%.DTP中以DIP为主,其贡献在NS和LS气溶胶中分别为65.6%和55.3%.NS气溶胶中人为源P对TP的贡献为69%,略低于LS气溶胶中的72%.LS气溶胶中较高的酸化程度和相对湿度（RH）以及较慢的气团传输速率是其P溶解度显著高于NS气溶胶的原因.RH<60%时,无论酸化程度高低,P溶解度不超过30%;RH>60%时,酸化条件下,高的相对湿度和低的气团传输速率有利于显著提升P溶解度.因此,日趋严重的大气污染可能提高了我国近海大气生物可利用P的入海通量.     

二英分子结构-水溶解度相关性密度泛函理论研究

运用密度泛函理论,在B3LYP/6-311G^**水平上,对多氯二苯并对二英(PCDDs)和多氯二苯并呋喃(PCDFs)的电子结构进行了优化,相应量子化学参数,即平均分子极化率(α)、熵(S)、极化率和四极矩的张量分量(α_xx、α_yy、α_zz和Q_xx、Q_yy、Q_zz)等用于该类化合物水溶解度的定量结构-性质相关性（QSPR）研究;基于内部误差一致的实验值,成功建立了3个QSPRs,其决定系数分别为0 .977、0 .968和0 .961;交叉验证相关系数分别为0 .968、0 .959和0 .946.模型分析表明,水溶解度主要与分子体积有关,而分子间相互作用的影响较小;不同QSPRs预测值间的差异可能与模型中预测变量本身性质和可获取实验值的有限性有关.与新近发展的QSPR相比较,本研究模型性能均有提高,这可能与B3LYP/6-311G^**精确计算电子性质和模型中引入四极矩张量分量有关.