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The Prediction of Adsorption Properties of a Solid Phase-Microextraction Fiber by Chemometrics methods 用化学计量学方法预测固相微萃取纤维的吸附性能
Pub Date : 2019-03-01 DOI: 10.33945/SAMI/AJCA.2019.2.2032015
M. Jafari
A new method for estimation of adsorption properties of a solid phase microextraction fiber by artificial neural network (ANN) has been studied for the first time ever. An etched steel fiber which is simple prepared and durable was selected and adsorption of 12 analytes that were in four different chemical categories, was studied. 9 of them were selected as the training and 3 as the test. The amount of adsorptions were obtained through the direct extraction from aqueous and then GC analysis. The adsorption were analyzed by ANN. The results are quite satisfactory and the mean absolute percentage error of tests was 18.0 %. The method was simple, practical, straightforward, economical, and accurate. The method did not require many analytes.
本文首次研究了用人工神经网络(ANN)估计固相微萃取纤维吸附性能的新方法。选择了一种制备简单耐用的蚀刻钢纤维,研究了其对4种不同化学类型的12种分析物的吸附性能。其中9个作为训练,3个作为测试。通过直接萃取、气相色谱分析得到吸附量。用人工神经网络对其吸附进行了分析。结果令人满意,测试的平均绝对百分比误差为18.0%。该方法简便、实用、直接、经济、准确。该方法不需要很多分析物。
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引用次数: 1
Kinetics and Mechanism of Propane-1,3-diol Oxidation by Mn(VII) in Aqueous Medium 水溶液中Mn(VII)氧化丙烷-1,3-二醇的动力学及机理
Pub Date : 2019-03-01 DOI: 10.33945/SAMI/AJCA.2019.2.225233
D. F. Latona
The oxidation of propane-1,3-diol by potassium permanganate in aqueous solution was investigated at λmax 525 nm. The rate of the reaction was found to increase with increase in [KMnO4] and [Propane-1,3-diol]. The reaction showed first order dependence each in [KMnO4] and [Propane-1,3-diol] and independent in the ionic strength of the solution. The values of 〖∆H〗^#(kJ mol-1), 〖∆S〗^# (kJK-1mol-1) and〖 ∆G〗^#(kJ mol-1) were 24.98, -0.22 and 90.50 respectively. Negative activation of entropy revealed an ordered transition state for the reaction. Spectroscopic studies and FTIR analysis revealed the product of the reaction to be 3-hydroxy-propanone. A suitable reaction mechanism is proposed for the reaction investigated.
在λmax 525 nm处研究了高锰酸钾在水溶液中氧化丙烷-1,3-二醇的反应。随着[KMnO4]和[丙烷-1,3-二醇]用量的增加,反应速率增加。该反应与[KMnO4]和[丙烷-1,3-二醇]均呈一级相关,与溶液的离子强度无关。〖∆H〗^#(kJ mol-1)、〖∆S〗^# (kJK-1mol-1)和〖∆G〗^#(kJ mol-1)分别为24.98、-0.22和90.50。负熵激活表明反应的过渡态是有序的。光谱研究和红外光谱分析表明,该反应的产物为3-羟基丙烷。对所研究的反应提出了合适的反应机理。
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引用次数: 2
Porphyrin and Phthalocyanines-Based Solar Cells: Fundamental Mechanisms and Recent Advances 卟啉和酞菁基太阳能电池:基本机制和最新进展
Pub Date : 2019-01-30 DOI: 10.29088/SAMI/AJCA.2019.2.2144
Oyebanji M. Opeyemi, H. Louis, Chinanso I. Opara, O. O. Funmilayo, T. Magu
A remarkable source of renewable energy is the Dye-­sensitized solar cells (DSCs). However, the major limitation of power conversion efficiency (PCE) of devices is their inability to produce electricity using photons from the near­infrared (NIR) spectral region. Some Metal-free organic sensitizers make use of strong electron donating or withdrawing moieties to tune the optical band gap to allow the absorption of lower energy wavelengths in charge transfer systems while porphyrins and phthalocyanines compounds are used to shift the Soret and Q bands toward lower energy absorption. Various molecules are been synthesized to improve and increase the power conversion efficiency of the compounds. This study discusses the structure of these compounds, working principles and their derivatives as recent advances been carried out to improve the power efficiencies of the compounds.
染料敏化太阳能电池(dsc)是一种引人注目的可再生能源。然而,器件功率转换效率(PCE)的主要限制是它们不能利用近红外(NIR)光谱区域的光子产生电能。一些无金属有机敏化剂利用强电子给或抽离部分来调节光学带隙,以允许在电荷转移系统中吸收较低能量波长,而卟啉和酞菁化合物则用于将Soret和Q带转向较低能量吸收。合成了各种分子来改善和提高化合物的功率转换效率。本研究讨论了这些化合物的结构,工作原理及其衍生物的最新进展,以提高化合物的功率效率。
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引用次数: 9
Adsorptive Removal of Arsenic from Aqueous Solutions Using Amino Functionalized Super paramagnetic Iron Oxide Nanoparticle/SiO2 氨基功能化超顺磁性氧化铁纳米颗粒/SiO2吸附去除水溶液中的砷
Pub Date : 2019-01-30 DOI: 10.29088/SAMI/AJCA.2019.2.128135
H. Noorizadeh, A. Farmany
The adsorption features of amino functionalized superparamagnetic iron oxide nanoparticle/SiO2 for selective removal of arsenic in water is studied. Amino functionalized superparamagnetic iron oxide nanoparticle/SiO2 is synthesized and characterized with Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD) and electron microscope (SEM). FTIR shows amine group successfully attached to nanoparticle. XRD-diffraction pattern show that the magnetic phase of superparamagnetic nanoparticle is magnetite by inverse spinel crystal structure. SEM image was used to study the morphology of superparamagnetic nanoparticle. The adsorption capability of the nanoparticle was examined in batch system. The nanoparticle was used for removal of arsenic in aqueous media. Adsorption experimental data showed that the adsorption of arsenic on the nanoparticle is depended on pH and contact time.
研究了氨基功能化超顺磁性氧化铁纳米颗粒/SiO2选择性去除水中砷的吸附特性。合成了氨基功能化超顺磁性氧化铁纳米颗粒/SiO2,并用傅里叶变换红外光谱(FTIR)、x射线衍射(XRD)和电子显微镜(SEM)对其进行了表征。红外光谱显示胺基成功地附着在纳米颗粒上。xrd衍射图表明,超顺磁性纳米颗粒的磁相为尖晶石反晶结构的磁铁矿。利用扫描电镜(SEM)图像研究了超顺磁性纳米颗粒的形貌。在间歇系统中考察了纳米颗粒的吸附性能。研究了纳米颗粒对水中砷的去除效果。吸附实验数据表明,纳米颗粒对砷的吸附与pH和接触时间有关。
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引用次数: 5
Preparation of ThO2 as a structural analogue for nuclear fuel via surfactant-templated sol-gel route 表面活性剂-模板化溶胶-凝胶法制备核燃料结构类似物ThO2
Pub Date : 2019-01-30 DOI: 10.29088/SAMI/AJCA.2019.2.165174
S. Darzi, N. Mohseni
Sol-gel synthesis of surfactant-templated nanostructured ceramic materials is usually carried out via controlled hydrolysis and condensation of a starting material in the presence of micelles of a polymer, followed by its removal by extraction or calcination. In this work, surfactant template sol-gel route for the synthesis of thorium dioxide gels using thorium nitrate and octyl phenol ethoxylate polymer as a structure directing agent was described, and the sinterability of the produced ThO2 powder (ThO2-S) was investigated in comparison with commercial one (ThO2-C). Prepared ThO2-S composed of micro and meso pores and exhibited high surface area as 31.23 m2/g and particle size as 15.1 nm. The produced powder ThO2-S was pressed and sintered to form the high density ThO2 pellet. The final grain size of the pellets reached below micrometer size. The calculated green and sintered densities of the fabricated pellets, and their microstructural characteristics studies, utilizing SEM images, show that this synthesizing route yielded a good sinterability of the synthesized ThO2 nanopowder at low temperature. Prepared ThO2-S sample and commercial ThO2 were sintered under the atmospheres “Ar” and “Ar-8%H2, and comparison of data from samples sintered under the both of two different atmospheres at 1500 °C, show that the atmosphere had no effect on density value. Furthermore, the green density of ThO2-S pellets is less than ThO2-C but the pellets which were fabricated from the ThO2-S have reached better sintered density than the pellets fabricated by ThO2-C.
表面活性剂模板纳米结构陶瓷材料的溶胶-凝胶合成通常是通过在聚合物胶束存在下对起始材料进行控制的水解和缩合,然后通过萃取或煅烧将其去除来进行的。本文采用表面活性剂模板溶胶-凝胶法,以硝酸钍和辛烷基酚聚氧乙酸酯聚合物为结构导向剂合成了二氧化钍凝胶,并对制备的二氧化钍粉末(ThO2- s)与商品二氧化钍粉末(ThO2- c)的烧结性能进行了比较。制备的ThO2-S由微孔和介孔组成,其比表面积高达31.23 m2/g,粒径为15.1 nm。将生产的粉末ThO2- s进行压制和烧结,形成高密度的ThO2球团。颗粒的最终粒度达到微米以下。利用扫描电镜对制备的球团的生坯密度和烧结密度进行了计算,并对其微观结构特征进行了研究,结果表明,该合成路线制备的二氧化钛纳米粉体具有良好的低温烧结性能。在“Ar”和“Ar-8% h2”气氛下烧结制备的ThO2- s样品和商品ThO2样品,并将两种气氛下在1500℃下烧结的数据进行比较,结果表明气氛对密度值没有影响。此外,th2 - s球团的绿色密度小于th2 - c,但由th2 - s制备的球团比由th2 - c制备的球团达到了更好的烧结密度。
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引用次数: 2
One-Pot Three Components Synthesis of 2,4,5-Triaryl-Imidazoles Catalyzed by Caro's Acid-Silica Gel Under Solvent–Free Condition 无溶剂条件下Caro酸-硅胶催化一锅三组分合成2,4,5-三芳基咪唑
Pub Date : 2019-01-01 DOI: 10.29088/SAMI/AJCA.2019.2.7378
M. Heravi, N. Karimi, Samira Pooremami
We introduced a very simple, one-pot three component procedure for preparation of 2,4,5-triaryl-imidazoles from the reaction of benzyl, aldehydes and ammonium acetate, as ammonia source, catalyzed by Caro's acid-silica gel under Solvent –free condition.
介绍了在无溶剂条件下,以苯、醛和乙酸铵为氨源,在卡罗酸-硅胶催化下,一锅三组分制得2,4,5-三芳基咪唑的简单工艺。
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引用次数: 5
Selective and Sensitive Simultaneous Determination of Mercury and Cadmium based on the Aggregation of PHCA Modified- AuNPs in West Azerbaijan Regional Waters 基于PHCA修饰- AuNPs聚集的西阿塞拜疆地区水域中汞和镉的选择性灵敏同时测定
Pub Date : 2019-01-01 DOI: 10.29088/SAMI/AJCA.2019.2.5772
Sakineh Alizadeh, T. Madrakian, M. Bahram
The present study aims to present a new convenient sensor for heavy metals, based on aggregation of citrate-capped- N, N' biphenyl hydrazine 1, 2 dicarbothioamide (PHCA) - modified- (AuNPs). This paper reports a procedure for sensitive and selective spectrophotometric methods for simultaneous determination of mercury (Hg22+) and cadmium (Cd2+). For this aim multivariate data including kinetic spectra of AuNPs were collected during aggregation process. The characterization of AuNPs was performed by transmission electron microscopy (TEM) and Infra-Red (IR) spectroscopy. Partial least square (PLS) regression as an efficient multivariate calibration method was employed to make a connection between the surface plasmon resonance (SPR) spectra of the generated AuNPs. The number of PLS latent variables was optimized by leave-one-out cross-validation utilizing prediction residual error sum of square (PRESS). The linear range was in the range of 3.33 × 10-5 - 3.33 × 10-6 mol L-1 and 2.0 × 10-5 - 1.0 × 10-6 mol L-1, the detection limit was 1.21×10-7 and 0.5 ×10-7 mol L-1 (n=5) for Hg22+and Cd2+, respectively. This method used successfully for simultaneous determination of Hg22+ and Cd2+ in West Azerbaijan regional waters namely Zarineh / Simineh rivers and Urmia Lake.
本研究旨在提出一种基于柠檬酸盐包封的- N, N'联苯肼1,2二碳硫酰胺(PHCA) -修饰- (AuNPs)聚集的新型重金属传感器。本文报道了同时测定汞(Hg22+)和镉(Cd2+)的灵敏选择性分光光度法。为此,我们收集了AuNPs在聚合过程中的多变量数据,包括动力学谱。通过透射电镜(TEM)和红外光谱(IR)对AuNPs进行了表征。采用偏最小二乘(PLS)回归作为一种有效的多变量校准方法,建立了生成的aunp表面等离子体共振(SPR)光谱之间的联系。利用预测残差平方和(PRESS)进行留一交叉验证,优化PLS潜在变量的数量。在3.33 × 10-5 ~ 3.33 × 10-6 mol -1和2.0 × 10-5 ~ 1.0 × 10-6 mol -1的线性范围内,Hg22+和Cd2+的检出限分别为1.21×10-7和0.5 ×10-7 mol -1 (n=5)。该方法成功地同时测定了西阿塞拜疆地区水域,即Zarineh / Simineh河和Urmia湖中的Hg22+和Cd2+。
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引用次数: 4
Study of Electrochemical and Electronical Properties on the Some Schiff Base Ni Complexes in DMSO Solvent by Computational Methods 用计算方法研究DMSO溶剂中某些席夫碱镍配合物的电化学和电子性能
Pub Date : 2019-01-01 DOI: 10.29088/SAMI/AJCA.2019.2.1420
M. Fekri, A. Omrani, S. Bozorgi, M. R. Mehr
Schiff bases, an aldehyde- or ketone-like compounds in which the carbonyl group is replaced by an imine or azomethine, are some of the most widely used organic compounds. In this study, the quantum mechanics calculations were performed on M(Chel) where M=Ni(II) and Chel= BAE (bis-acetylacetoneethylenediimine), BBE=bis(benzoyl acetone)ethylenediimine, BFE= bis(1,1,1-triflouroacetylacetone) ethylenediimine and BCE = bis(3-chloroacetylacetone) ethylenediimine) ligands using Gaussian 03 and hartree-fock theory (HF) at B3LYP/6-311G level in the gas phase and solution phase. The polarized continuum model (PCM) is used to calculate salvation energies. After optimizing, various parameters such as electrode potentials, energy gap, chemical hardness, chemical potential and electrophilicity in solvent (DMSO) have been calculated. It was found to be planar and four coordinate. Reduction potentials toward a given M(II) according to the Schiff base ligands changed in the trend: BAE >BCE >BFE.
席夫碱是一种类醛或类酮化合物,其中羰基被亚胺或亚甲基取代,是应用最广泛的有机化合物之一。本研究利用高斯03理论和har树-fock理论(HF)对M(Chel)进行了量子力学计算,其中M=Ni(II), Chel= BAE(双乙酰丙酮乙二亚胺),BBE=bis(苯甲酰丙酮)乙二亚胺,BFE= bis(1,1,1-三氟乙酰丙酮)乙二亚胺,BCE =bis(3-氯乙酰丙酮)乙二亚胺)配体在B3LYP/6-311G水平气相和溶液相中。采用极化连续介质模型(PCM)计算拯救能。优化后,计算了电极电位、能隙、化学硬度、化学势和溶剂亲电性等参数。发现它是平面的和四坐标的。根据希夫碱配体对给定M(II)的还原势的变化趋势为:BAE >BCE >BFE。
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引用次数: 6
Adsorption Separation of Nickel from Wastewater by using Olive Stones 橄榄核吸附分离废水中镍的研究
Pub Date : 2019-01-01 DOI: 10.29088/SAMI/AJCA.2019.2.7993
A. M. Ahmed, A. Ali, Ahmed Ghazy
In this study, the adsorption potential of activated carbon olive stone for removal of Ni(II) ions from wastewater has been investigated. The study involves batch type experiments to investigate the effect of initial concentration, adsorbent dose, agitation speed, contact time, temperature and pH of solution on adsorption process and the optimum conditions were evaluated. The adsorption process has fit pseudo-second order kinetic models. Langmuir and Freundlichadsorption isotherm models were applied to analyze adsorption data and both were found to be applicable to this adsorption process. Thermodynamic parameters, e.g., ΔGo, ΔSo and ΔHo of the on-going adsorption process have also been calculated and the sorption process was found to be endothermic. Finally, it can be seen that activated carbon olive stone was found to be more effective for the removal of Ni(II) from waste water than any adsorbent was used.
本研究考察了活性炭橄榄石对废水中Ni(II)离子的吸附电位。通过间歇式实验考察了初始浓度、吸附剂用量、搅拌速度、接触时间、温度和溶液pH对吸附过程的影响,并评价了最佳吸附条件。吸附过程符合准二级动力学模型。采用Langmuir吸附等温线模型和freundlichad吸附等温线模型对吸附数据进行分析,发现两者都适用于该吸附过程。计算了正在进行的吸附过程的热力学参数ΔGo、ΔSo和ΔHo,发现吸附过程是吸热的。最后可以看出,活性炭橄榄石对废水中Ni(II)的去除效果优于其他吸附剂。
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引用次数: 11
Cyclic Voltammetry of Aqueous CoCl2 in the Presence of Ceftriaxone Disodium Salt (Cefs) at 298.65 K 298.65 K下头孢曲松二钠(Cefs)存在下CoCl2水溶液的循环伏安法
Pub Date : 2019-01-01 DOI: 10.29088/SAMI/AJCA.2019.2.113
E. Gomaa, Mahmud Nabil Abdel Hady, Mahmoud H. Mahmoud, Doaa Ahmed El Kot
Cyclic Voltammetry of Cobalt chloride with different concentrations was measured experimentally using DY2000 potentiostat. We used 0.1 M KCl as supporting electrolyte. Glassy carbon working electrode was used, purified and polished before use. The other two electrodes are platinum wire and Ag/AgCl electrode put in saturated KCl solution were used. The complex characters for the interaction of CoCl2 with Ceftriaxone disodium salt (Cefs) were studied with the use of different Ceftriaxone disodium salt (Cefs) concentrations at 298.65 K. The oxidation, reduction mechanisms and the stability constants of the complexes formed are discussed.  Scan rate and different kinetic parameters resulted from the interaction of CoCl2 with Ceftriaxone disodium salt (Cefs) were also evaluated and their values were discussed.
用DY2000恒电位器对不同浓度氯化钴的循环伏安法进行了实验测定。我们使用0.1 M KCl作为支撑电解质。采用玻碳工作电极,在使用前进行提纯和抛光。另外两种电极分别是铂丝和Ag/AgCl电极,电极置于饱和氯化钾溶液中。在298.65 K温度下,用不同浓度的头孢曲松二钠(Ceftriaxone disodium salt, Cefs)研究了CoCl2与Ceftriaxone disodium salt (Cefs)相互作用的络合特性。讨论了络合物的氧化还原机理和稳定常数。对CoCl2与头孢曲松二钠盐(Ceftriaxone disodium salt, Cefs)相互作用的扫描速率和不同动力学参数进行了评价,并对其取值进行了讨论。
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引用次数: 2
期刊
Advanced Journal of Chemistry-Section A
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