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Numerical study of natural convection of nanofluids in an inclined flat bottom flask using finite-volume approach. 斜平底烧瓶内纳米流体自然对流的有限体积法数值研究。
IF 1.8 4区 工程技术 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2021-09-06 DOI: 10.30492/IJCCE.2021.527841.4668
N. Chafai, Hicham Salhi, Khalissa Benbouguerra, S. Chafaa
In this work, we study numerically the natural convection of nanofluids (NF) in an inclined flat bottom flask; it is one of laboratory flasks used in organic chemistry synthesis. The main reason of this study is to enhance the thermal properties of the reaction medium inside the flat bottom flask and to ameliorate the rate of chemical reactions using nanofluids. The flat bottom wall is maintained at a constant high temperature Th. While the top, left and right walls of the cavity are maintained at a low temperature TL. The NF comprises Cu and Al2O3 nanoparticles (NP) suspended in pure water. The governing equations are solved numerically using the finite-volume approach and formulated using the Boussinesq approximation. In this simulation we examined the effects of the NP volume fraction (φ) from 0% to 5%, the Rayleigh number from 103 to 106, the various inclination angles of enclosure (γ=0°,5°,10°, 15°) and the NF type (Cu and Al2O3) on the flow streamlines, isotherm distribution and Nusselt number. The obtained results show that the addition of Cu and Al2O3 NP increases the mean Nusselt number which enhances the heat transfer in the flat bottom flask and causes significant changes in the flow pattern. In addition, the mean Nusselt number is increase with increasing the Rayleigh number and the volume fraction and the best results have obtained from the Cu nanofluide. Also, as the inclination angle increases the mean Nusselt number decreases and the highest value of Nusselt number was obtained for a vertical enclosure (γ=0°). The obtained streamlines are mostly symmetric and their values are generally increase by increasing the Rayleigh number and volume fractions of NPs. Besides, the obtained isotherms are generally follow the geometry of the flat bottom flask.
本文对纳米流体在倾斜平底烧瓶中的自然对流进行了数值研究;它是用于有机化学合成的实验室烧瓶之一。本研究的主要目的是提高平底烧瓶内反应介质的热性能,提高纳米流体的化学反应速率。平底壁保持在恒定的高温下。而空腔的上、左、右壁保持在低温TL下。NF由悬浮在纯水中的Cu和Al2O3纳米颗粒(NP)组成。控制方程采用有限体积法进行数值求解,并采用Boussinesq近似表示。在这次模拟中,我们研究了NP体积分数(φ)从0%到5%,瑞利数从103到106,不同的壳体倾角(γ=0°,5°,10°,15°)和NF类型(Cu和Al2O3)对流线,等温线分布和努塞尔数的影响。结果表明,Cu和Al2O3 NP的加入增加了平均努塞尔数,提高了平底烧瓶内的换热,使流动形态发生了显著变化。平均努塞尔数随瑞利数和体积分数的增加而增加,且Cu纳米流体的效果最好。随着倾角的增大,平均努塞尔数减小,在垂直封闭(γ=0°)处努塞尔数达到最大值。得到的流线大多是对称的,流线的值通常随着NPs的瑞利数和体积分数的增加而增加。此外,所得到的等温线一般遵循平底烧瓶的几何形状。
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引用次数: 1
Removal of Methyl Orange from aqueous solution using Zeolitic Imidazolate Framework-11: Adsorption Isotherms, Kinetics and Error analysis. 咪唑酸分子筛框架-11对甲基橙的去除:吸附等温线、动力学和误差分析。
IF 1.8 4区 工程技术 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2021-09-01 DOI: 10.30492/IJCCE.2021.131068.4236
Rachid Lamari, B. Benotmane, Farida Mostefa
Dyes, which are increasingly harmful to human health and ecology, are an environmental concern and their removal from wastewater is extremely required. It is also important for researchers to find relevant techniques to process these types of pollutants. This study examines the use of the synthesized imidazolate zeolite frameworks-11 (ZIF-11) by stirring method for the methyl orange (MO) dye removal from aqueous solution. The scanning electron microscopy, thermogravimetry, X-ray diffraction, and Fourier transform infrared spectroscopy, were used for the analysis of ZIF-11 particles, which exhibited highly porous, irregular and heterogeneous shapes and variable size. The MO removal was assessed by batch adsorption with ZIF-11 particles as adsorbent, whose efficiency was achieved at pH=8, stirring speed of 600 rpm, for a contact time of 40min and a dosage of 800mg/L of MO solution. The thermodynamic and kinetic analysis of the MO adsorption process was achieved successfully with the pseudo-second order kinetic model as well as Langmuir and Temkin isotherms, indicating the feasibility and spontaneity of the uniform distribution of MO molecules on the active sites of ZIF-11 particles. The calculated maximum adsorption capacity of MO on ZIF-11 particles was 178.57 mg/g, which is indicative of the potential adsorptive properties of the synthesised ZIF-11 for MO dyes.
染料对人类健康和生态的危害越来越大,是一个环境问题,迫切需要将其从废水中去除。对研究人员来说,找到处理这类污染物的相关技术也很重要。研究了用搅拌法制备的咪唑酸分子筛框架-11 (ZIF-11)去除水溶液中的甲基橙(MO)染料。采用扫描电镜、热重、x射线衍射和傅里叶变换红外光谱对ZIF-11颗粒进行了分析,发现ZIF-11颗粒具有高度多孔性、不规则和非均匀形状和可变尺寸。以ZIF-11为吸附剂,在pH=8、搅拌速度600 rpm、接触时间40min、MO溶液投加量800mg/L的条件下,对MO的去除效果进行了评价。采用拟二级动力学模型以及Langmuir和Temkin等温线成功地对MO吸附过程进行了热力学和动力学分析,表明MO分子在ZIF-11粒子活性位点上均匀分布的可行性和自发性。计算得到ZIF-11对MO的最大吸附量为178.57 mg/g,表明合成的ZIF-11对MO染料具有潜在的吸附性能。
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引用次数: 1
Numerical study on bilateral stagger Cantor fractal baffles micromixer 双边交错康托分形挡板微混合器的数值研究
IF 1.8 4区 工程技术 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2021-09-01 DOI: 10.30492/IJCCE.2021.527558.4664
Xueye Chen, Honglin Lv
Changing the structure of microchannel or setting obstacles in microchannel has become an effective way to improve the mixing performance of passive micromixer. Here, we design a three-dimensional micromixer with fractal obstacles based on Cantor fractal principle. The effect of fractal obstacle level, micromixer height, spacing between fractal obstacles and different Re (Reynold number) on the mixing efficiency are studied. Some valuable conclusions are obtained. The micromixer with quadratic fractal obstacles has better mixing efficiency than the micromixer with primary fractal obstacles. With the increase of the micromixer height, the effective folding area of the fluid can be increased. When the spacing between the fractal barriers is 0µm, the mixing efficiency of the micromixer is better. The mixing efficiency of all micromixers can reach more than 90% at Re is less 0.1 or more than 40. When Re is 70 and 100, the fluid convection in the micromixer is very strong. Finally, a best micromixer CSM600(Cantor structure micromixer with height 600µm) is obtained. The mixing effect is superior to other micromixers under any conditions.
改变微通道结构或在微通道中设置障碍物已成为提高无源微混合器混合性能的有效途径。本文基于康托分形原理设计了三维分形障碍物微混合器。研究了分形障碍物水平、微混合器高度、分形障碍物间距和雷诺数对混合效率的影响。得到了一些有价值的结论。具有二次分形障碍物的微混合器比具有一次分形障碍物的微混合器具有更好的混合效率。随着微混合器高度的增加,流体的有效折叠面积增大。当分形屏障间距为0µm时,微混合器的混合效率较好。在Re小于0.1或大于40时,所有微混合器的混合效率均可达到90%以上。Re为70和100时,微混合器内流体对流非常强。最后,得到了最佳微混合器CSM600(高度600µm的康托结构微混合器)。在任何条件下,混合效果都优于其他微型混合器。
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引用次数: 1
Solvent Extraction of Copper Ions from Wastewater using Reverse Micelles: Experimental and Optimization 反胶束萃取废水中铜离子的实验与优化
IF 1.8 4区 工程技术 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2021-09-01 DOI: 10.30492/IJCCE.2021.521869.4488
S. Upadhyaya, T. Chaturvedi, P. Pandit, M. Vashishtha
In this study, the optimum conditions for different process parameters were determined for solvent extraction of copper ions from wastewater using reverse micelles. The process parameters viz. copper ion concentration, sodium bis-2-ethyl hexyl sulphosuccinate (AOT) concentration, solution pH, organic to aqueous phase volume ratio, and NaCl concentration were taken into consideration in response surface methodology, ranging from 30-150 mg/l, 0.04-0.2 [M], 3-11, 0.2-1.0, 0-4 g/100 ml respectively and their effect on percentage removal of copper ions were studied. A regression model was developed by conducting response surface methodology for the analysis of percentage removal of copper ions from wastewater. As many as fifty four experiments were procured from the design of experiments for the percentage removal of copper ions. The developed model was employed to optimize the process parameters being considered to maximize the response. The optimum conditions were found to be 30 mg/l copper ion concentration, 0.20 [M] AOT concentration, 3.12 pH, 0.57 organic to aqueous phase volume ratio, and 0.134 g/100 ml NaCl concentration. The obtained model was validated with experimental data and found to be best fitted within the tolerance limit. The effect of cross-interaction among the process parameters on the percentage removal of copper ions were also investigated. In this study, the copper ion concentration was analyzed by Atomic absorption spectroscopy (AAS).
研究了不同工艺参数下反胶束萃取废水中铜离子的最佳工艺条件。响应面法考察了铜离子浓度30 ~ 150 mg/l、0.04 ~ 0.2 [M]、3 ~ 11、0.2 ~ 1.0、0 ~ 4 g/100 ml范围内铜离子去除率、AOT浓度、溶液pH、有机水相体积比、NaCl浓度等工艺参数对铜离子去除率的影响。采用响应面法建立了回归模型,用于分析废水中铜离子的去除率。从铜离子去除率的实验设计中获得了多达54个实验。利用所建立的模型对所考虑的工艺参数进行优化,使响应最大化。结果表明:铜离子浓度为30 mg/l, AOT浓度为0.20 [M], pH值为3.12,有机水相体积比为0.57,NaCl浓度为0.134 g/100 ml。用实验数据对所得模型进行了验证,发现模型在公差范围内拟合最佳。考察了各工艺参数间的相互作用对铜离子去除率的影响。本研究采用原子吸收光谱法(AAS)分析了铜离子浓度。
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引用次数: 0
IMPROVISATION OF COMBUSTION BEHAVIOUR OF JOJOBA OIL DIESEL BLEND FUELLED DI DIESEL ENGINE BY ENGINE MODIFICATIONS SUCH AS MOP AND TBC 通过mop和TBC等发动机改造改善荷荷巴油柴油混合燃料直燃发动机的燃烧性能
IF 1.8 4区 工程技术 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2021-09-01 DOI: 10.30492/IJCCE.2021.138262.4393
K. DevanP, C. Ramakrishnan, Bibin Chidambaranathan, S. Gopinath
To reduce the importance of fossil fuels, the identification of biofuels plays a vital role. The plant oil chosen for this study is novel plant oil named Jojoba oil (the botanical name is Simmondsia Chinensis). To utilise this type of oil in higher proportion with diesel, engine modifications were carried. The engine modifications include optimising salient operating parameters with Thermal Barrier Coating (TBC). Taguchi and Gray relational methods were used for finding the optimised values of salient operating parameters like injection pressure, compression ratio, injection timing and intake air temperature as 275 bar, 19.5 CR, 27.5 bTDC and 65˚C, respectively [1]. This has helped to combust the higher blends of jojoba oil, namely 60J, 70J and 80J, without adverse performance and emission characteristics. The fundamental aim of coating Aluminium oxide, Molybdenum and Titanium oxide (40%, 30% and 30%) on the inner surface of the piston crown and the cylinder head is to retain heat and thereby achieve higher thermal efficiency. Combustion, performance and emission analysis were done and found that 60% by volume of jojoba oil can be applied in a TBC engine which offers 11.5% higher BTE, 74.3% lower CO, 31.2% lower HC, 8.6% higher NOx and 25.9% lower smoke than 70% and 80% by volume of jojoba oil.
为了降低化石燃料的重要性,生物燃料的识别起着至关重要的作用。本研究选用的植物油为新型植物油——荷荷巴油(学名Simmondsia Chinensis)。为了使这种油与柴油的比例更高,对发动机进行了改造。发动机的改进包括使用热障涂层(TBC)优化突出的运行参数。采用田口法和灰色关联法,找到了喷油压力、压缩比、喷油正时和进气温度等重要运行参数的最优值,分别为275 bar、19.5 CR、27.5 bTDC和65˚C[1]。这有助于燃烧更高的混合荷荷巴油,即60J, 70J和80J,没有不利的性能和排放特性。在活塞顶和气缸盖内表面涂覆氧化铝、钼和氧化钛(分别为40%、30%和30%)的根本目的是保持热量,从而达到更高的热效率。燃烧,性能和排放分析发现,60%体积的霍霍巴油可以应用于TBC发动机,比70%和80%体积的霍霍巴油提高11.5%的BTE,降低74.3%的CO,降低31.2%的HC,提高8.6%的NOx和25.9%的烟雾。
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引用次数: 0
Preparation and characterization of Enset starch (ES) based films: plasticized by glycerol and sorbitol 甘油和山梨醇增塑Enset淀粉(ES)基薄膜的制备与表征
IF 1.8 4区 工程技术 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2021-09-01 DOI: 10.30492/IJCCE.2021.114496.3761
Abdulkader Mohammed Awol, K. Waghray, P. P.G., R. Math
AbstractFilms were prepared using casting method from enset starch, as a filler material, glycerol & sorbitol as plasticizers at different concentrations (15, 25 and 35%). And glucose, fructose and sucrose were added to enhance flexibility. The films were characterized and compared the effect of plasticizer type (glycerol and sorbitol) and concentration some physicochemical properties of ES based films. The films were analyzed for moisture content, film density, and thickness, swelling capacity, tensile strength and percentage elongation. The study indicated that moisture content, film thickness, film density, swelling capacity, tensile strength and percentage elongation are dependent on the type of plasticizer and its concentration. Increasing the plasticizer concentration from 15 to 35 % increases moisture content, film thickness; decreases the film density, water swelling capacity and tensile strength of films, regardless of the plasticizer type used.
摘要以淀粉为填料,甘油和山梨醇为增塑剂(浓度分别为15%、25%和35%),采用浇铸法制备薄膜。并添加葡萄糖、果糖和蔗糖来增强柔韧性。对膜进行了表征,并比较了增塑剂类型(甘油和山梨醇)和增塑剂浓度对ES基膜理化性能的影响。分析了薄膜的含水量、薄膜密度、厚度、膨胀能力、拉伸强度和伸长率。研究表明,增塑剂的种类和浓度对含水率、膜厚、膜密度、膨胀能力、抗拉强度和伸长率都有影响。增塑剂浓度从15%增加到35%,可增加含水率、膜厚;无论使用何种增塑剂,都会降低薄膜的密度、水膨胀能力和拉伸强度。
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引用次数: 0
Tuning structural and optical properties of copper oxide nanomaterials by thermal heating and its effect on photocatalytic degradation of Congo Red dye 热加热调整氧化铜纳米材料的结构和光学性质及其对刚果红染料光催化降解的影响
IF 1.8 4区 工程技术 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2021-09-01 DOI: 10.30492/IJCCE.2021.127597.4127
Y. Javed, S. Rehman, N. A. Shad, M. M. Sajid, K. Ali, Y. Jamil, M. Sajjad, A. Nawaz, S. Sharma
In this study, Copper oxide (CuO) nanoparticles (NPs) were prepared using the chemical co-precipitation method and treated at different calcination temperatures. The synthesized CuO NPs have been calcinated at 300 °C, 500 °C, and 700 °C. The X-ray Diffraction (XRD) results exhibited a decrease in the width of the principle diffraction peak with the temperature rise. Crystallite size was determined by Scherrer’s formula, whereas, Williamson-Hall method presented drastic variation in size indicating the creation of lattice strain with the rise in calcination temperature. Scanning Electron Microscopy (SEM) images showed an increase in grain size and vary from 170 nm – 430 nm. X-ray Energy Dispersive Spectroscopy (EDS) results indicate the formation of CuO NPs and relative Cu contents increased (52.9 to 72.5 Atomic percentage) with temperature. Optical properties are also affected by the calcination temperature and a reduction in bandgap is observed with the increase in temperature. Fourier Transform Infra-red spectroscopy (FTIR) spectra of different samples showed identical bonding behavior and no apparent change in bonding was observed. Photo-degradation of Congo Red dye was performed with CuO NPs treated at different temperatures and NPs treated at 500 °C, have shown maximum degradation efficiency in 75 min under visible light.
本研究采用化学共沉淀法制备了氧化铜纳米颗粒(CuO),并在不同的煅烧温度下进行了处理。合成的CuO纳米粒子分别在300℃、500℃和700℃下煅烧。x射线衍射(XRD)结果表明,随着温度的升高,主衍射峰的宽度减小。晶体尺寸由Scherrer公式确定,而Williamson-Hall方法显示,随着煅烧温度的升高,晶体尺寸变化剧烈,表明晶格应变的产生。扫描电镜(SEM)图像显示晶粒尺寸在170 ~ 430 nm范围内增大。x射线能谱(EDS)结果表明,随着温度的升高,CuO NPs的形成和相对Cu含量(原子百分数52.9 ~ 72.5)增加。光学性质也受煅烧温度的影响,并观察到带隙随温度的升高而减小。不同样品的傅里叶变换红外光谱(FTIR)显示出相同的成键行为,没有观察到明显的成键变化。用不同温度和500℃处理的CuO NPs对刚果红染料进行光降解,在可见光下75 min的降解效率最高。
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引用次数: 1
Response surface modeling of the Removal of Methyl Orange Dye from Aqueous Solution using Magnesium Oxide Nanoparticles Immobilized on Chitosan 壳聚糖固定化氧化镁纳米颗粒去除水溶液中甲基橙染料的响应面模拟
IF 1.8 4区 工程技术 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2021-09-01 DOI: 10.30492/IJCCE.2021.122511.4002
V. Myneni, N. Kanidarapu, F. Shaik, Meena Vangalapati
In this work, the chitosan-based magnesium oxide nanoparticles (CS-MgONP) composite was used as an adsorbent for the removal of organic dye methyl orange (MO). The adsorbent characterization was carried out using X-ray diffraction (XRD), Field emission scanning electron scanning microscopy (FE-SEM) and Fourier transform infrared (FTIR) spectroscopy. The faster equilibrium, i.e. at an agitation time of 30 min, indicated the faster adsorption capability of the prepared adsorbent CS-MgONP. The central composite design (CCD) of response surface methodology (RSM) was used to evaluate the impact of process parameters in the range of pH (6-10), CS-MgONP dosage (0.1-0.5g/L), MO concentration (10-30mg/L), and temperature (283-323K) at an optimal agitation period of 30 min. Under optimum conditions of pH=7.93, CS-MgONP dosage=0.4g/L, initial MO concentration=15mg/L and temperature=313 K, 96.42% removal of MO was achieved with a desirability of 0.805. The adsorption of MO onto CS-MgONP was best fitted with the Langmuir adsorption isotherm, with an uptake capacity of 237.5 mg/g and followed the pseudo-second order kinetics. The thermodynamic studies showed positive enthalpy and negative Gibbs free energy that confirmed the spontaneous and endothermic process. Due to the fast equilibrium agitation period, i.e.30 min and high adsorption capacity, the adsorbent CS-MgONP proved to be an excellent choice for dye removal.
研究了壳聚糖基氧化镁纳米颗粒(CS-MgONP)复合材料对有机染料甲基橙(MO)的吸附性能。采用x射线衍射(XRD)、场发射扫描电镜(FE-SEM)和傅里叶变换红外光谱(FTIR)对吸附剂进行了表征。在搅拌时间为30 min时达到更快的平衡,表明制备的吸附剂CS-MgONP具有更快的吸附能力。采用响应面法(RSM)的中心复合设计(CCD)对pH(6 ~ 10)、CS-MgONP投加量(0.1 ~ 0.5g/L)、MO浓度(10 ~ 30mg/L)、温度(283 ~ 323k)等工艺参数的影响进行了评价,最佳搅拌时间为30 min。在pH=7.93、CS-MgONP投加量=0.4g/L、MO初始浓度=15mg/L、温度=313 K的最佳搅拌条件下,MO去除率达到96.42%,理想去除率为0.805。CS-MgONP对MO的吸附符合Langmuir等温线,吸附量为237.5 mg/g,符合准二级动力学。热力学研究表明,反应焓为正,吉布斯自由能为负,证实了反应是自发的吸热过程。CS-MgONP具有快速的平衡搅拌时间(30 min)和高吸附能力,是去除染料的理想选择。
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引用次数: 4
An Inclusive and Effective End-of-Life Vehicle Recycling System in India: Balancing Economy and Ecology from Grave to Cradle 印度包容有效的报废汽车回收系统:从坟墓到摇篮平衡经济与生态
IF 1.8 4区 工程技术 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2021-09-01 DOI: 10.30492/IJCCE.2021.135890.4317
A. Murugesan
End-of-Life Vehicles (ELVs) in India are often recycled by car breaking yards operating in the informal sector. In the absence of well-established, state-of-the-art ELV mechanisms, their work – ensures crucial recycling of ELVs. Multiple qualitative analysis methods, such as desk study, literature review, and field visits, are utilized. Our study shows the following: car breaking yards frequently work in an inefficient manner causing environmental hazards and health risks; the replacement policy adopted during vehicle servicing by Original Equipment Manufacturers and Authorized Dealers results in inefficient material use; Informal actors such as Private workshop owners and Reconditioning shops enable significant savings in material and costs, partly by substituting capital and energy with labour. We propose an inclusive 3R (reuse, recondition, and recycle) framework, which integrates various informal actors involved in ELV recycling. This sustainability-oriented framework ensures that the components and materials circulate in a closed loop.
在印度,报废车辆(elv)通常由非正规部门的汽车拆解场回收。在缺乏完善的、最先进的ELV机制的情况下,他们的工作确保了ELV的关键回收。多重定性分析方法,如课桌研究、文献回顾、实地考察等。研究表明:拆车场工作效率低下,造成环境危害和健康风险;原设备制造商和授权经销商在维修车辆时采用的更换政策导致材料使用效率低下;非正式行为者,如私人车间老板和整修店,部分通过用劳动力代替资本和能源,可以大大节省材料和费用。我们提出了一个包容性的3R(再利用、修复和回收)框架,该框架整合了参与ELV回收的各种非正式参与者。这种以可持续发展为导向的框架确保了组件和材料在一个闭环中循环。
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引用次数: 0
Synthesis of KBiO3/Nano-Ag3PO4 Composite Photocatalyst and its Application for Degradation of Organic Pollutant under visible light KBiO3/纳米ag3po4复合光催化剂的合成及其在可见光下降解有机污染物中的应用
IF 1.8 4区 工程技术 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2021-09-01 DOI: 10.30492/IJCCE.2021.521915.4491
T. Cheng, Chen Chen, Chen-Xi Ye, Weifang Xie, Xiao Zhang, Tian Yuan
In this work, a novel composite photocatalyst, KBiO3/nano-Ag3PO4 (K/Ag catalyst), was synthesized, and efficiently degraded methylene blue (MB) under visible light. The various properties of photocatalyst were measured by modern analytical techniques, such as XRD, FT-IR, SEM, XPS, and UV-Vis. We also utilized Density functional theory calculation (DFT) to investigate the photocatalytic degradation mechanism in this reaction process. The multiple characterization findings demonstrated that K/Ag composite catalyst was successfully synthesized using Ag3PO4 and KBiO3, and it displayed excellent absorption for visible light. The photocatalytic results confirmed that K/Ag catalyst greatly promoted the degradation of MB under visible light. The first-order reaction kinetics model could satisfactorily describe the apparent photocatalytic degradation process in this system. In addition, adding electron capture agents to the photocatalytic system highly decreased the degradation efficiencies of target pollutant. Moreover, K/Ag composite catalyst exhibited perfect photocatalyst stability after recycling three times. Through calculating the band structure, Density of States (DOS) and work function, KBiO3 and Ag3PO4 could be considered as n type and p type semiconductor material, respectively. When the composite catalyst was exposed to light, the light-excited electrons would be appeared in both the conduction bands. Furthermore, the transfer trend of electrons and holes made photogenerated electrons concentrate on the conduction band of n type KBiO3, and photogenerated holes concentrate on the valence band of p type Ag3PO4, and thereby greatly improve the photocatalytic efficiency.
本文合成了一种新型复合光催化剂KBiO3/nano-Ag3PO4 (K/Ag催化剂),并在可见光下对亚甲基蓝(MB)进行了高效降解。采用XRD、FT-IR、SEM、XPS、UV-Vis等现代分析技术测定了光催化剂的各种性能。我们还利用密度泛函理论计算(DFT)研究了该反应过程中的光催化降解机理。多重表征结果表明,以Ag3PO4和KBiO3为原料成功合成了K/Ag复合催化剂,并表现出良好的可见光吸收性能。光催化结果证实了K/Ag催化剂在可见光下对MB的降解有明显的促进作用。一级反应动力学模型能较好地描述该体系的表观光催化降解过程。此外,在光催化体系中加入电子捕获剂会大大降低目标污染物的降解效率。K/Ag复合催化剂经三次循环使用后,表现出良好的光催化稳定性。通过计算能带结构、态密度(DOS)和功函数,可将KBiO3和Ag3PO4分别视为n型和p型半导体材料。当复合催化剂暴露于光下时,光激发的电子会出现在两个导带中。此外,电子和空穴的转移趋势使得光生电子集中在n型KBiO3的导带上,光生空穴集中在p型Ag3PO4的价带上,从而大大提高了光催化效率。
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引用次数: 1
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