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101.
(过冷)液体蒸气压(PL)是评价化学品在环境中分配、迁移和归趋行为的重要参数。PL具有较强的温度依附性。发展一种能够精确预测不同环境温度下化学品PL的方法,有助于填补化学品生态风险评估的大量数据缺失。本研究收集整理了661种有机化合物在不同温度下(200~830 K)共计10 478个log PL值。在此基础上,采用偏最小二乘(PLS)回归和支持向量机(SVM)方法,构建了PL的线性和非线性预测模型。结果表明:2种模型均具有良好的拟合度、稳健性及预测能力,SVM模型的预测性能略高于PLS模型(PLS:R2adj.tra=0.912,RMSEtra=0.477,Q2ext=0.910;SVM:R2adj.tra=0.997,RMSEtra=0.092,Q2ext=0.967)。机理分析表明,温度是影响PL的主要因素,温度越高,蒸气压越大;其次,X1sol也影响PL大小,X1sol用来描述分子间的色散作用,分子间色散力越小,蒸气压越大;此外,化合物的氢键个数、极性和分子构型等因素也影响PL大小。采用Wiliams plot方法表征了PLS模型应用域。所建立的模型可用来预测烷烃、烯烃、醇、酮、羧酸、苯、酚、联苯、卤代芳香烃、含N化合物及含S化合物在不同温度下的PL数据。 相似文献
102.
Mixtures of biodiesel, glycerol, and ethanol/methanol are commonly processed and stored in biodiesel production. In this work, non-ideal models are used to calculate the Flash Points (FPs) of binary and ternary mixtures, using data available from different feedstocks. Despite the fact that biodiesel is considered safer than common diesel fuels, results show a synergistic effect of biodiesel/methanol and biodiesel/ethanol mixtures, resulting in a reduction of the flash point of mixtures to values lower than the ones of pure compounds. Most soluble ternary mixtures were found flammable, the only exception being mixtures with a relatively lower alcohol content (45% mol. ethanol or 42% methanol) at temperature lower than 303 K. Accidental increase in temperature can cause domino effect, due to the higher solubility and the formation of new flammable ternary mixtures. 相似文献
103.
建立了基于超高效液相色谱-串联质谱法同时测定地下水中9种雌激素、5种雄激素、3种肾上腺皮质激素、4种酚类和3种非甾类激素共24种内分泌干扰物的方法。在活化后的MCX固相萃取柱中加入水样,再加入pH=5的水溶液淋洗,随后用碱化乙腈(4.5%,体积分数)洗脱。收集洗脱液并用氮气吹至近干后,用甲醇定容。采用Poroshell 120 Bonus-RP色谱柱(2.7 μm,100 mm×2.1 mm),以0.1%氨水溶液-乙腈为流动相进行梯度洗脱,实现液相分离。质谱检测采用MRM模式进行采集,通过正负离子模式切换同时进行测定,使用内标法定量。检测结果显示,目标物在线性范围内,决定系数R2均大于0.995,方法检出限为0.05~2.00 ng/L,加标回收率为68.8%~108%。该方法灵敏度高、准确度好,具有较强的实用价值。 相似文献
104.
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106.
建立了电感耦合等离子体原子发射光谱(ICP-AES)法测定磷生铁中3种元素Mn、P、Si的定量分析方法.通过试验选择257.610nm、185.942nm、212.412nm分别作为Mn、P、Si的分析谱线,无需进行光谱干扰校正.实验结果表明,各元素分析谱线线性相关系数大于0.9990.方法用于高磷铸铁标准物质分析,测定值与认定值相符,测定结果的相对标准偏差在0.21% (Mn) ~1.8% (P)范围. 相似文献
107.
Pamornrat Kueseng Mathieu L. Noir Bo Mattiasson Panote Thavarungkul Proespichaya Kanatharana 《Journal of environmental science and health. Part. B》2013,48(8):772-780
A molecularly imprinted polymer (MIP) for atrazine was synthesized by non-covalent method. The binding capacity of MIP was 1.00 mg g? 1 polymer. The selectivity and recovery were investigated with various pesticides which are mostly, found in the environment, for both similar and different chemical structure of atrazine. The competitive recognition between atrazine and structurally similar compounds was evaluated and it was found that the system provided highest recovery and selectivity for atrazine while low recovery and selectivity were obtained for the other compounds. The highest recovery was obtained from MIP compared with non-imprinted polymer (NIP), a commercial C18 and a granular activated carbon (GAC) sorbent. The method provided high recoveries ranged from 94 to 99% at two spiked levels with relative standard deviations less than 2%. The lower detection limit of the method was 80 ng L? 1. This method was successfully applied for analysis of environmental water samples. 相似文献
108.
文章用比值—导数光谱法测定香草醛的含量。实验结果表明,香草醛木素溶液在pH≤7时香草醛在230 nm处有吸收,在pH>7时在248 nm处有吸收。根据不同pH值和不同浓度条件下香草醛木素溶液的比值-导数光谱,说明在230 nm处的光谱信号在pH≤7不受pH值影响,248 nm处的光谱信号在pH>7不受pH值影响。在230 nm和248 nm处的光谱信号对浓度的变化较为敏感,在此两处吸收值可用于香草醛的测定。 相似文献
109.
R. S. Maharia R. K. Dutta R. Acharya A. V. R. Reddy 《Journal of environmental science and health. Part. B》2013,48(2):174-181
Heavy metal distribution in medicinal plants is gaining importance not only as an alternative medicine, but also for possible concern due to effects of metal toxicity. The present study has been focused on emphasizing the heavy metal status and bioaccumulation factors of V, Mn, Fe, Co, Cu, Zn, Se (essential metals) and Cr, Ni, Cd, As and Pb (potentially toxic metals) in medicinal plants grown under two different environmental conditions e.g., near to Khetri copper mine and those in fertile soils of Haridwar, both in India, using Instrumental Neutron Activation Analysis (relative method) and Atomic Absorption Spectrometry. The copper levels in the medicinal plants from Khetri were found to be 3-4 folds higher (31.6–76.5 mg kg?1) than those from Haridwar samples (7.40–15.3 mg kg?1), which is correlated with very high copper levels (763 mg kg?1) in Khetri soil. Among various heavy metals, Cr (2.60–5.92 mg kg?1), Cd (1.47–2.97 mg kg?1) and Pb (3.97–6.63 mg kg?1) are also higher in concentration in the medicinal plants from Khetri. The essential metals like Mn (36.4–69.3 mg kg?1), Fe (192–601 mg kg?1), Zn (24.9–49.9 mg kg?1) and Se (0.13–0.91 mg kg?1) and potentially toxic metals like Ni (3.09–9.01 mg kg?1) and As (0.41–2.09 mg kg?1) did not show much variations in concentration in the medicinal plants from both Khetri and Haridwar. The medicinal plants from Khetri, e.g., Ocimum sanctum, Cassia fistula, Withania somnifera and Azadirachta Indica were found rich in Ca and Mg contents while Aloe barbadensis showed moderately high Ca and Mg. Higher levels of Ca-Mg were found to correlate with Zn (except Azadirachta Indica). The bioaccumulation factors (BAFS) of the heavy metals were estimated to understand the soil-to-plant transfer pattern of the heavy metals. Significantly lower BAF values of Cu and Cr were found in the medicinal plants from Khetri, indicating majority fraction of these metals are precipitated and were immobilized species unsuitable for plant uptake. Overall, Withania somnifera (Ashwagandha) showed very high metal bioaccumulation. 相似文献
110.
Flame propagation rates were measured for flames spreading across surfaces of gel-like alkane-in-water emulsions. A long, slender, water-cooled trough was used to contain the mixtures. Abrupt changes in the flame propagation velocities - of nearly two orders of magnitude - were observed to occur near ‘critical’ concentrations of certain alkane/water mixtures. Four alkanes were used - pentane, hexane, heptane, and octane - and fuel rich emulsions (in which water was the continuous phase) were employed. The ability of the aqueous phase of the emulsion to inhibit the release of fuel into the vapor phase plays an important role in the observed behavior. That is, the rate at which fuel can diffuse through both the emulsion and the thin liquid layers that reside on it, is an essential kinetic aspect of the phenomena which determine the flame propagation rate across gelled alkane-in-water emulsions. 相似文献