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Saeedeh Hashemian,Bahareh Sadeghi,Mahbobah Mangeli 한국공업화학회 2015 Journal of Industrial and Engineering Chemistry Vol.21 No.1
Aluminum mesocellulous silica foam (Al-MCF) was synthesized by pH-adjusting with hydrothermalmethod. Nano cavities of Al-MCF were characterized with FTIR, XRD and TEM methods. BET was donewith N2-adsorption experiments and is showed the surface area 665.56 m2 g 1. TEM of Al-MCF wasshown the particles diameters are pH dependent. Al-MCF particles were use d for adsorption of indigocarmine dye from aqueous solution. The sorption kinetics was found to follow a pseudo-second orderkinetic model. The thermodynamic parameters were evaluated. The adsorption of IC onto Al-MCF foamwas exothermic and negative value of DG8 confirms the spontaneous process.
Saeedeh Hashemian,Khatereh Salari,Zahra Atashi Yazdi 한국공업화학회 2014 Journal of Industrial and Engineering Chemistry Vol.20 No.4
Activated carbon from agricultural waste almond shells (CAS) and orange peels (COP) was prepared. CAS and COP were characterized by FTIR, XRD and SEM. Adsorption of 2-pic by CAS and COP has been investigated. The kinetic of 2-pic was fitted well the pseudo-second-order kinetic model and rate constants of adsorption of 6.66 10-4 and 2.51 10-5 (g mg-1 min-1) for CAS and COP, respectively. Results showed that Langmuir isotherm model is better fitted for adsorption data quite reasonably than Freundlich model (R2 > 97). The maximum adsorption capacity from Langmuir equation was 166.7 mg g-1 and 288.57 mg g-1 for COP and CAS, respectively.
Kinetic and thermodynamic of adsorption of 2-picoline by sawdust from aqueous solution
Saeedeh Hashemian,Masoud Mirshamsi 한국공업화학회 2012 Journal of Industrial and Engineering Chemistry Vol.18 No.6
The adsorption of 2-picoline (2-pic) onto sawdust (SD) was investigated from aqueous solution. The SD and SD-2-pic were characterized using X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR) and SEM image. The influence of various parameters like contact time, PH, adsorbent dose and initial concentration of 2-pic were studied. The experimental data fitted by pseudo- second-order kinetic model to describe the adsorption of 2-picoline on SD. Thermodynamic results revealed that the adsorption of 2-pic onto SD is an endothermic and spontaneously process. The Langmuir and Freundlich isotherms for adsorption of 2-pic onto sawdust were investigated. The SD containing 2-pic can be regenerated by combustion of adsorbed 2-pic.
Cu0.5Mn0.5Fe2O4 nano spinels as potential sorbent for adsorption of brilliant green
Saeedeh Hashemian,Atena Dehghanpor,Mahnaz Moghahed 한국공업화학회 2015 Journal of Industrial and Engineering Chemistry Vol.24 No.-
Nano spinels of CuxMn1xFe2O4 (x = 0.0, 0.2, 0.4, 0.5, 0.8 and 1) have been synthesized. Nano-particles of CuxMn1xFe2O4 were characterized by FTIR, XRD and SEM. The adsorption of brilliant green (BG) by nano particles of CuxMn1xFe2O4 was studied. Results showed that adsorption activity of nano particles are as followed: MnFe2O4 < CuFe2O4 < Mn0.2Cu0.8Fe2O4 < Mn0.8Cu0.2Fe2O4 < Mn0.4Cu0.6Fe2O4 < Mn0.5Cu0.5Fe2O4. The adsorption of BG followed pseudo-second-order kinetic model. Thermodynamic results revealed that the adsorption of BG onto Mn0.5Cu0.5Fe2O4 particles is endothermic and spontaneously process. The adsorption equilibrium was best described by the Langmuir model. The nano particles of Mn0.5Cu0.5Fe2O4 can be conveniently regenerated by chemical and physical methods after adsorption
Farideh Dehghani,Saeedeh Hashemian,Ali Shibani 한국공업화학회 2017 Journal of Industrial and Engineering Chemistry Vol.48 No.-
MFe2O4 (M = Co, Ni and Zn) ferrite spinels were prepared and calcinated at 100, 200 and 300 C. Theferrite spinels were characterized by FTIR, XRD, SEM and TEM. The CoFe2O4, ZnFe2O4 and NiFe2O4 ferritescalcinated at 300 C had particles size of 40, 32 and 24 nm, respectively. The adsorption of bromo phenolred (BPR) by ferrite spinels was studied. The results showed that adsorption capability of nano particleswas as follows: ZnFe2O4< CoFe2O4< NiFe2O4. The effect of parameters such as contact time and pH onthe adsorption of BPR was investigated. The adsorption of BPR was followed by pseudo-second-orderkinetic model. Thermodynamic results revealed that the adsorption of BPR onto nano ferrite spinels wasendothermic and spontaneously processed. Both Langmuir and Freundlich isotherm models foradsorption of BPR werefitted by experimental data.
Ghiasi, Reza,Hashemian, Saeedeh,Irajee, Oranoos Korean Chemical Society 2011 대한화학회지 Vol.55 No.2
Ni$(C_6H_{4-n}F_n)(CO)_2$ ($C_6H_4$=benzyne, n=1-4) 착물의 전자구조 및 성질을 혼성 밀도 함수 B3LYP 이론을 이용하여 조사하였다. Benzyne 고리에 대한 방향족 성질과 벤젠핵과 무관한 화학적이동(NICS)을 분석하였다. 일-, 이- 및 삼-플루오르화 착물 중에서 3-F, 3, 6-F, 및 4-H는 각기 가장 안정한 이성질체였다. 고리 중심 상단의 여러 점에서 계산한 NICS 수치는 이들 착물의 상대 에너지에 의해 구한 값들과 일치하였다. 분자-내-원자(AIM) 분석에서 얻어진 Ni-C 결합거리는 모든 화학종에 대한 고리 임계점의 전자밀도(${\rho}_{rcp}$)와 좋은 상관성을 보였다. The electronic structure and properties of Ni$(C_6H_{4-n}F_n)(CO)_2$ ($C_6H_4$=benzyne, n=1-4) complexes have been investigated using hybrid density functional B3LYP theory. Both aromatic natures and nucleus independent chemical shift (NICS) of the benzyne rings have been analyzed. Among mono-, di-, and tri-fluorinated complexes, 3-F, 3,6-F, and 4-H are the most stable isomers, respectively. NICS values calculated at the several points above the ring centers are consistent with those based on the relative energies of the complexes. The atoms in molecules (AIM) analysis indicates that Ni-C bond distance is well correlated with the electron density of a ring critical point (${\rho}_{rcp}$) in all species.
Remove of Sulphate Ion from Environmental Systems by using AlN Nanotubes
Mohammad T. Baei,Saeedeh Hashemian,Parviz Torabi,Farzaneh Hosseini 대한화학회 2014 Bulletin of the Korean Chemical Society Vol.35 No.4
The adsorption behavior of the sulphate (SO4 2−) on the external surface of (5,0), (8,0), and (10,0) zigzag AlNNTs was studied by using density functional calculations. Adsorption energies in the nanotubes are about −8.59, −8.04, −8.60 eV with a charge transfer of 0.59, 0.48, 0.56|e| from the sulphate ion to the nanotubes, respectively. The adsorption energies indicated that sulphate ion can be absorbed strongly on the nanotubes. Therefore, these nanotubes can be used for adsorption of sulphate ion from the environmental systems. It was found that diameter of the AlNNTs has slight role in the adsorption of sulphate ion. The electronic properties of the nanotubes showed notable changes upon the adsorption process.
Remove of Sulphate Ion from Environmental Systems by using AlN Nanotubes
Baei, Mohammad T.,Hashemian, Saeedeh,Torabi, Parviz,Hosseini, Farzaneh Korean Chemical Society 2014 Bulletin of the Korean Chemical Society Vol.35 No.4
The adsorption behavior of the sulphate ($SO{_4}^{2-}$) on the external surface of (5,0), (8,0), and (10,0) zigzag AlNNTs was studied by using density functional calculations. Adsorption energies in the nanotubes are about -8.59, -8.04, -8.60 eV with a charge transfer of 0.59, 0.48, 0.56|e| from the sulphate ion to the nanotubes, respectively. The adsorption energies indicated that sulphate ion can be absorbed strongly on the nanotubes. Therefore, these nanotubes can be used for adsorption of sulphate ion from the environmental systems. It was found that diameter of the AlNNTs has slight role in the adsorption of sulphate ion. The electronic properties of the nanotubes showed notable changes upon the adsorption process.