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Kinetics of simultaneous recovering of Au and Ag from CTs by chloridizing volatilization methods 氯化挥发法从ct中同时回收金和银的动力学
4区 工程技术 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-09-19 DOI: 10.37190/ppmp/172522
Weiwei Wang, Zhangkuang Peng, Qiang Li, Erdou Li, Shaochun Hou
Cyanide tailings (CTs), which amount to hundreds of millions of tons and pose significant a danger to the environment's ecology, are regarded as hazardous waste. This study suggests an efficient and environmentally favorable method for the recovery of gold and silver from CTs. The influence of calcium chloride dosage, silicon dioxide dosage, pellet moisture content, roasting temperature, and roasting duration on chloridizing volatilization of Au and Ag was investigated. The simultaneous recovery of gold and silver from cyanide tailings via heating with chlorination was also investigated. It was found that the calcium chloride dosage and temperature increase the chloridizing volatilization rates, while the silicon dioxide dosage and particle moisture content decrease it. The inter-diffusion through the gangue layer served as the rate-limiting phase in the chloridizing volatilization kinetics, which was based on the shrinking core model. The apparent activation energies (Ea) of 24.01 kJ•mol-1 (Au) and 24.62 kJ•mol-1 (Ag) are in agreement with this result. The orders of reaction corresponding to various values of temperature, moisture content, silicon dioxide, and calcium chloride dosages were also computed. Semi-empirical equations can be used to describe the rate of reaction in diffusion-controlled processes.
氰化物尾矿被视为危险废物,其总量达数亿吨,对环境生态造成严重危害。本研究提出了一种高效、环保的从ct中回收金银的方法。研究了氯化钙用量、二氧化硅用量、球团含水率、焙烧温度、焙烧时间对金、银氯化挥发的影响。研究了氯化加热同时回收氰化尾矿中的金和银。结果表明,氯化钙用量和温度增加了氯化挥发速率,二氧化硅用量和颗粒含水量降低了氯化挥发速率。通过脉石层的相互扩散是氯化挥发动力学的限速阶段,该过程基于收缩核模型。表观活化能(Ea)分别为24.01 kJ•mol-1 (Au)和24.62 kJ•mol-1 (Ag)。计算了不同温度、水分、二氧化硅和氯化钙用量所对应的反应级数。半经验方程可用来描述扩散控制过程中的反应速率。
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引用次数: 0
Separation and purification of light rare earth elements from chloride media using P204 and Cyanex272 in sulfonated kerosene under non-saponification conditions 在非皂化条件下,用P204和Cyanex272从磺化煤油中分离纯化轻稀土元素
4区 工程技术 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-09-18 DOI: 10.37190/ppmp/172444
Peiqiang Fan, Wenjie Zhang, Xiong Tong, Xian Xie, Ruiqi Xie, Qiang Song, Yunpeng Du, Yang Cao
The extraction of light rare earths (Pr and Nd) from chloride medium was investigated using a mixture of di(2-ethylhexyl) phosphoric acid (P204) and bis(2,4,4-trimethylpentyl) phosphinic acid (Cyanex272) in sulfonated kerosene. The P204+Cyanex272 system exerted a synergistic effect on the separation of light rare earths, and the separation coefficient was higher than when P204 and Cyanex272 were used as extractants alone. The separation coefficient of Pr and Nd in the extraction system reached 1.75 when the pH of the aqueous phase material solution was approximately 2.5, and 1.5 mol/L hydrochloric acid as a stripping agent effectively eluted the rare earth ions in the loaded organic phase. Combining the slope method, infrared spectroscopy, and nuclear magnetic resonance spectroscopy, we explored the mechanism of the extracted Nd and Pr into the organic phase complex, and finally entered the organic phase with Re(HA2)2B. The P-O-H bond and P=O bond in the extractant P204 and Cyanex272 formed a coordination bond with Re3+. Therefore, this extraction method also provides a reference for a more environmentally friendly and efficient procedure for separation and purification of light rare earth elements Pr and Nd.
以二(2-乙基己基)磷酸(P204)和二(2,4,4-三甲基戊基)膦酸(Cyanex272)为萃取剂,在磺化煤油中萃取轻稀土(Pr和Nd)。P204+Cyanex272体系对轻稀土的分离具有协同作用,分离系数高于单独使用P204和Cyanex272体系的分离系数。当水相物料溶液pH约为2.5时,萃取体系中Pr和Nd的分离系数达到1.75,以1.5 mol/L盐酸为溶出剂可有效洗脱负载有机相中的稀土离子。结合斜率法、红外光谱、核磁共振波谱等方法,探讨了提取的Nd和Pr进入有机相配合物的机理,最终与Re(HA<sub>2</sub>)<sub>2</sub>B进入有机相。萃取剂P204和Cyanex272中的P-O- h键和P=O键与Re<sup>3+</sup>形成配位键。因此,该提取方法也为更环保、高效的分离纯化轻稀土元素Pr和Nd提供了参考。
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引用次数: 0
Insights into the depression effect and adsorption mechanism of HACC on chalcopyrite surface in Cu-Mo flotation separation 铜钼浮选分离中HACC对黄铜矿表面的抑制作用及吸附机理研究
4区 工程技术 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-09-18 DOI: 10.37190/ppmp/172481
Mingyang Li, Pengpeng Zhang, Xiangpeng Gao, Lingyun Huang
In this study, hydroxypropyltrimethyl ammonium chloride chitosan (HACC) was first introduced as a depressant during separating chalcopyrite from molybdenite (Cu-Mo). The selective effects of HACC on the separation of Cu-Mo were conducted by single-mineral flotation tests. The findings revealed that HACC helps separate Cu and Mo efficiently at pH 6 with 8 mg/L of HACC, resulting in 76.22% and 5.38% of Mo and Cu recovery, respectively. The adsorption mechanism of HACC was investigated via Zeta potential, adsorption density, contact angle, FT-IR and XPS analysis. The contact angle and adsorption density measurements offer indisputable proof that HACC can adsorb on the surface of chalcopyrite. Furthermore, FT-IR and XPS measurements confirm that N atoms in quaternary ammonium groups of HACC interact with Cu sites on the surface of chalcopyrite. The findings also suggest that HACC adsorbs on the surface without significantly impacting molybdenite. All these results confirm that HACC can be an effective chalcopyrite depressant.
本研究首次引入羟丙基三甲基氯化铵壳聚糖(HACC)作为黄铜矿与辉钼矿(Cu-Mo)分离的抑制剂。通过单矿物浮选试验研究了HACC对铜钼分离的选择性作用。结果表明,当HACC浓度为8 mg/L时,pH为6时,HACC对Cu和Mo的分离效果较好,Mo和Cu的回收率分别为76.22%和5.38%。通过Zeta电位、吸附密度、接触角、FT-IR和XPS分析考察了HACC的吸附机理。接触角和吸附密度的测定为HACC在黄铜矿表面的吸附提供了无可争辩的证据。此外,FT-IR和XPS测量证实了HACC的季铵基上的N原子与黄铜矿表面的Cu位点相互作用。研究结果还表明,HACC在表面的吸附对辉钼矿没有明显的影响。这些结果证实了HACC是一种有效的黄铜矿抑制剂。
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引用次数: 0
Bond´s work index estimation using non-standard ball mills 用非标准球磨机估算Bond的工作指标
4区 工程技术 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-09-18 DOI: 10.37190/ppmp/172458
Ramón Arellano-Piña, Elvia Angélica Sanchez-Ramirez, Roberto Pérez-Garibay, Victor Hugo Gutiérrez-Pérez
Ore concentrators seek the stability of processes by feeding blends of rocks with average hardness and ore content. Therefore, large amounts of samples must be characterized in a short time. The Bond Work Index (Wi) is a common technique for the estimation of hardness and energy requirement for comminution using ball mills. However, this technique is time-consuming (close to 5 hours) and liable to experimental errors. This work contributes to obtaining new models for rapid Bond Work Index estimation using non-standard dimensions mills. This was done by proposing grinding tests using four types of ores and four mills of different dimensions, including the standard Bond ball mill (BBM). For all tests it was kept constant: (a) critical speed (91%), and (b) mill charge by volume (10.5%), varying the amount of fresh feed according to its density. The results showed that using the non-standard mills (between 20 and 35 cm in diameter), the Bond´s model constants (α=0.23; β= 0.82, and γ = 44.5), are unable to predict the Work Index properly. Therefore, these constants must be recalculated using linear models based on mill diameter. With the models proposed for α, β, and γ, the Bond Work Index (kWh/t) can be rapidly estimated (less than 2 hours) and show a high accuracy for mills of non-standard dimensions (R2= 0.96).
选矿厂通过提供硬度和矿石含量平均的岩石混合物来寻求工艺的稳定性。因此,必须在短时间内对大量样品进行表征。结合功指数(Wi)是估算球磨机粉碎硬度和能量需求的常用技术。然而,这种技术很耗时(接近5小时),而且容易出现实验误差。这项工作有助于获得使用非标准尺寸铣床快速估算Bond work Index的新模型。这是通过建议使用四种矿石和四种不同尺寸的磨机(包括标准Bond球磨机(BBM))进行研磨试验来完成的。所有试验均保持恒定:(a)临界转速(91%)和(b)按体积装料量(10.5%),根据其密度改变新鲜饲料的量。结果表明,使用非标准轧机(直径在20 ~ 35 cm之间)时,Bond模型常数(α=0.23;β= 0.82, γ = 44.5),不能正确预测工作指数。因此,必须使用基于磨机直径的线性模型重新计算这些常数。利用提出的α, β和γ模型,键合功指数(kWh/t)可以快速估计(小于2小时),并且对于非标准尺寸的铣床(R<sup>2</sup>= 0.96)显示出很高的精度。
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引用次数: 0
The effect of microbubbles on coarse particle anionic flotation: analysis and optimization 微泡对粗颗粒阴离子浮选的影响:分析与优化
4区 工程技术 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-09-14 DOI: 10.37190/ppmp/172298
Ahmed Mohammedelmubarak Ahmed Abbaker, Nevzat Aslan
Since the grinding and chemical reagents required for flotation are expensive, coarse particle flotation reduces grinding costs and makes the subsequent process more accessible and cheaper. Recent studies suggest that the flotation of coarse particles using microbubbles has some advantages. However, a thorough analysis of the effectiveness of various flotation parameters and the impact of their interactions on the recovery of coarse particles in the presence and absence of microbubbles has yet to be fully understood. In the current study, the two-level factorial and Box-Behnken experimental designs were performed to characterize, assess, and optimize the implications of seven numerical (sodium oleate, collector; calcium oxide, activator; MIBC, frother; impeller speed; froth depth; pulp concentration; fine particles) and one categorical (microbubbles) independent parameters on the coarse quartz particles. Characterization revealed that froth depth did not significantly affect the flotation recovery of coarse particles in the mechanical laboratory cell. The effects of the variables in the presence of microbubbles revealed that sodium oleate and impeller speed significantly impacted recovery, followed by calcium oxide and fine particles, both of which had a medium influence, and MIBC and pulp concentration, which had a minimal impact. The recovery of coarse particles increased by 92.714% when microbubbles were used, compared to the estimated maximum recovery under ideal conditions of 62.258% without them. From this, it can be concluded that a high coarse particle flotation recovery is possible by optimizing the hydrodynamic conditions and the chemical environment using microbubbles.
由于浮选所需的磨矿和化学试剂价格昂贵,粗颗粒浮选降低了磨矿成本,使后续工艺更容易实现,成本更低。近年来的研究表明,微泡浮选粗颗粒具有一定的优势。然而,对各种浮选参数的有效性以及它们之间的相互作用对存在和不存在微泡的粗颗粒回收的影响的深入分析尚未得到充分的了解。本研究采用两水平析因和Box-Behnken实验设计,对7种数值(油酸钠、捕收剂;氧化钙,活化剂;MIBC起泡剂;叶轮速度;泡沫深度;纸浆浓度;细颗粒)和一个分类(微泡)独立参数对粗石英颗粒。表征表明,泡沫深度对机械实验池中粗颗粒的浮选回收率没有显著影响。在微泡存在的情况下,各变量的影响结果表明,油酸钠和叶轮转速对回收率影响最大,其次是氧化钙和细颗粒,两者的影响中等,而MIBC和矿浆浓度的影响最小。在理想条件下,粗颗粒的回收率为62.258%,而在微气泡条件下,粗颗粒的回收率提高了92.714%。由此可见,利用微气泡优化水动力条件和化学环境,可以实现粗颗粒浮选的高回收率。
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引用次数: 0
Prediction and optimization of tower mill grinding power consumption based on GA-BP neural network 基于GA-BP神经网络的塔式磨粉机磨粉能耗预测与优化
4区 工程技术 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-09-11 DOI: 10.37190/ppmp/172096
Ziyang Wang, Ying Hou, Ahmed Sobhy
Grinding is commonly responsible for the liberation of valuable minerals from host rocks but can entail high costs in terms of energy and medium consumption, but a tower mill is a unique power-saving grinding machine over traditional mills. In a tower mill, many operating parameters affect the grinding performance, such as the amount of slurry with a known solid concentration, screw mixer speed, medium filling rate, material-ball ratio, and medium properties. Thus, 25 groups of grinding tests were conducted to establish the relationship between the grinding power consumption and operating parameters. The prediction model was established based on the backpropagation “BP” neural network, further optimized by the genetic algorithm GA to ensure the accuracy of the model, and verified. The test results show that the relative error of the predicted and actual values of the backpropagation “BP” neural network prediction model within 3% was reduced to within 2% by conducting the generic algorithm backpropagation “GA-BP” neural network. The optimum grinding power consumption of 41.069 kWh/t was obtained at the predicted operating parameters of 66.49% grinding concentration, 301.86 r/min screw speed, 20.47% medium filling rate, 96.61% medium ratio, and 0.1394 material-ball ratio. The verifying laboratory test at the optimum conditions, produced a grinding power consumption of 41.85 kWh/t with a relative error of 1.87%, showing the feasibility of using the genetic algorithm and BP neural network to optimize the grinding power consumption of the tower mill.
磨矿通常负责将有价值的矿物从宿主岩石中解放出来,但在能源和介质消耗方面可能需要很高的成本,但与传统磨矿相比,塔式磨矿机是一种独特的节能磨矿机。在塔式磨机中,许多操作参数影响研磨性能,如已知固体浓度的浆料量、螺杆混合器速度、介质填充率、料球比和介质特性。为此,进行了25组磨削试验,建立了磨削功耗与工作参数之间的关系。基于反向传播“BP”神经网络建立预测模型,通过遗传算法GA进一步优化,保证模型的准确性,并进行验证。试验结果表明,采用通用算法反向传播“GA-BP”神经网络后,反向传播“BP”神经网络预测模型预测值与实际值的相对误差在3%以内,降低到2%以内。在磨矿浓度为66.49%、螺杆转速为301.86 r/min、介质填充率为20.47%、介质配比为96.61%、料球比为0.1394的预测工况下,获得最佳磨矿功耗为41.069 kWh/t。在最优条件下进行的室内验证试验,磨矿电耗为41.85 kWh/t,相对误差为1.87%,说明采用遗传算法和BP神经网络对塔式磨矿电耗进行优化是可行的。
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引用次数: 0
Physicochemical properties and NH<sub>3</sub>-SCR catalytic performance of intercalated layered aluminosilicates 层状插层铝硅酸盐的理化性质及NH&lt;sub&gt;3&lt;/sub&gt;-SCR催化性能
4区 工程技术 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-08-22 DOI: 10.37190/ppmp/171381
Agnieszka Szymaszek-Wawryca, Urbano Díaz, Bogdan Samojeden, Monika Motak
The representative of natural layered clays, bentonite, was modified according to two routes and tested as a new catalyst for selective catalytic reduction of nitrogen oxides with ammonia (NH3-SCR). The natural acid-activated clay was ion-exchanged with Na+ or remained in H-form and pillared with metal oxides. In order to limit the number of synthesis steps, iron as an active phase was introduced simultaneously with Al2O3 during the intercalation procedure. Additionally, the samples were doped with 0.5 wt% of copper to promote low-temperature activity. It was found that the performed modifications resulted in disorganization of the ordered layered arrangement of bentonite. Nevertheless, acid activation and pillaring improved structural and textural parameters. The results of catalytic tests indicated that the samples containing Fe2O3 pillars promoted with Cu exhibited the highest NO conversion of 85% at 250 °C (H-Bent-AlFe-Cu) and 75% at 300 °C (Na-Bent-AlFe-Cu). What is important, activity of the protonated samples in the high-temperature region was noticeably affected by the side reaction of ammonia oxidation, correlated with the production of NO and resulting in N2O emission during the process comparing to Na-Bentonite catalysts.
对天然层状粘土的代表膨润土进行了两种途径的改性,并作为氨选择性催化还原氮氧化物的新型催化剂(NH<sub>3</sub>-SCR)进行了试验。天然酸活性粘土与Na<sup>+</sup>或者保持h型并以金属氧化物为支柱。为了限制合成步骤的数量,铁作为活性相与Al<sub>2</sub>O<sub>3</sub>在插入过程中。此外,样品中还掺杂了0.5 wt%的铜以提高低温活性。结果表明,改性使膨润土的有序层状排列发生紊乱。然而,酸活化和柱化改善了结构和结构参数。催化试验结果表明,含Fe<sub>2</sub>O< 3</sub>Cu促进柱在250℃(H-Bent-AlFe-Cu)和300℃(Na-Bent-AlFe-Cu)下的NO转化率最高,分别为85%和75%。重要的是,与na -膨润土催化剂相比,高温区质子化样品的活性明显受到氨氧化副反应的影响,与NO的产生相关,并导致N<sub>2</sub>O的排放。
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引用次数: 0
A nanoparticle cationic polystyrene-co-poly(n-butylacrylate) collector to eliminate the negative effect of lizardite slimes in pyrite flotation 纳米阳离子聚苯乙烯-共聚-聚丙烯酸正丁酯捕收剂消除硫铁矿泥对黄铁矿浮选的负面影响
IF 1.5 4区 工程技术 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-08-11 DOI: 10.37190/ppmp/170899
Guanghua Ai, Cheng Liu, G. Zhu, Siyuan Yang
Lizardite slime coating is one of significant factors in the deterioration of the floatability of sulphide minerals. In this study, a nanoparticle cationic polystyrene-co-poly(n-butylacrylate)(PS-PBNH) collector was introduced to eliminate the negative impact of lizardite slimes in pyrite flotation. Microflotation results demonstrated that lizardite slims did not affect the recovery of pyrite in the presence of PS-PBNH. Good flotation separation of pyrite from lizardite was achieved when the nanoparticle PS-PBNH collector was used. The results from adsorption study indicated that PS-PBNH exhibited a significant adsorption on the pyrite surface in the presence of lizardite slimes. Sedimentation tests showed that hetero-aggregation occurred between lizardite slimes and pyrite, whereas the introduction of PS-PBNH collector resulted in a heterogeneous dispersion between them. Zeta potential measurements suggested that PS-PBNH collector interacted with pyrite surface, and the PS-PBNH adsorption changed the surface charge of pyrite from negative to be positive. As a result, the interaction of pyrite with lizardite shifted from electrostatic attraction to electrostatic repulsion, as supported by the DLVO calculations. These results indicated PS-PBNH can be used as a potential collector for pyrite flotation in pyrite/lizardite slimes system without the need for a depressant.
褐铁矿泥涂层是硫化物矿物可浮性劣化的重要因素之一。在本研究中,引入了一种纳米颗粒阳离子聚苯乙烯共聚聚丙烯酸正丁酯(PS-PBNH)捕收剂,以消除硫铁矿泥在黄铁矿浮选中的负面影响。微絮凝结果表明,在PS-PBNH存在的情况下,lizardite矿泥不会影响黄铁矿的回收。使用纳米PS-PBNH捕收剂,可以实现黄铁矿与硫锌矿的良好浮选分离。吸附研究结果表明,PS-PBNH在硫铁矿泥存在下对黄铁矿表面表现出显著的吸附作用。沉淀试验表明,硫铁矿泥和黄铁矿之间发生了异质聚集,而PS-PBNH捕收剂的引入导致了它们之间的不均匀分散。Zeta电位测量表明,PS-PBNH捕收剂与黄铁矿表面相互作用,PS-PBNH3的吸附使黄铁矿表面电荷由负变为正。因此,正如DLVO计算所支持的那样,黄铁矿与锂锌矿的相互作用从静电吸引转变为静电排斥。这些结果表明,PS-PBNH可以在不需要抑制剂的情况下,作为黄铁矿/锂锌矿泥体系中黄铁矿浮选的潜在捕收剂。
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引用次数: 0
Investigation and elimination of surfactant-induced interferences in anodic stripping voltammetry for the determination of trace amounts of cadmium 阳极溶出伏安法测定痕量镉中表面活性剂干扰的研究和消除
IF 1.5 4区 工程技术 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-08-06 DOI: 10.37190/ppmp/170717
M. Grabarczyk, C. Wardak, Agnieszka Wawruch
This article aims to investigate in detail to what extent surfactants affect the determination of cadmium by anodic stripping voltammetry. In recent years, the production and use of surfactants have been steadily increasing, so that their concentration in environmental water samples is rising. At the same time, it is known that organic compounds, such as surfactants, often hinder the voltammetric determination of trace elements by stripping. Non-ionic (Triton X-100, Brij 35, Tween 20, Tween 60, Tween 80), cationic (CTAB, CTAC, DTAB, HPC) and anionic (DSS, SDS) compounds were selected to investigate the effect of surfactants on the voltammetric signal of cadmium. At the same time, the extent to which the addition of Amberlite resins to the analysed solution eliminates the interfering effect of surfactants was tested. Three types of Amberlite resins XAD-2, XAD-7 and XAD-16 were selected for the study and the ratio of resin weight to solution volume was determined. Finally, the determination of cadmium in surfactant-enriched environmental samples was carried out. The recoveries obtained between 95.5 and 107%, with RSD between 3.4 and 6.2%, confirm the validity and correctness of the proposed procedure All measurements were carried out by anodic stripping voltammetry using a CNTs/SGC electrode modified with a bismuth film as the working electrode.
本文旨在详细探讨表面活性剂对阳极溶出伏安法测定镉的影响程度。近年来,表面活性剂的生产和使用不断增加,使其在环境水样中的浓度不断上升。同时,众所周知,有机化合物,如表面活性剂,往往阻碍伏安法测定微量元素的溶出。选择非离子型(Triton X-100、Brij 35、Tween 20、Tween 60、Tween 80)、阳离子型(CTAB、CTAC、DTAB、HPC)和阴离子型(DSS、SDS)化合物研究表面活性剂对镉伏安信号的影响。同时,测试了在分析溶液中加入Amberlite树脂消除表面活性剂干扰作用的程度。选择了三种Amberlite树脂XAD-2、XAD-7和XAD-16进行研究,并测定了树脂质量与溶液体积的比值。最后,进行了富表面活性剂环境样品中镉的测定。回收率在95.5% ~ 107%之间,RSD在3.4 ~ 6.2%之间,证实了所提出方法的有效性和正确性。所有测量均采用阳极溶出伏安法进行,使用铋膜修饰的CNTs/SGC电极作为工作电极。
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引用次数: 0
Adsorption of quaternary ammonium salt hydrophobic modifiers on the α-quartz (001) surface: a density functional theory study 季铵盐疏水改性剂在α-石英(001)表面的吸附:密度泛函理论研究
IF 1.5 4区 工程技术 Q4 CHEMISTRY, PHYSICAL Pub Date : 2023-08-06 DOI: 10.37190/ppmp/170260
Chunfu Liu, Wei-Tong Wang, Han Wang, Chenyu Zhu, Bao Ren
To investigate the adsorption mechanism of quaternary ammonium salt on the α-quartz (001) sur-face, the adsorption models of hydrophobic modifiers 1231, 1431, 1631 and 1831 were constructed and simulated using the density functional theory (DFT). Results indicate that the adsorption energy of quaternary ammonium salt increases with the increase of carbon chain length, and the adsorption energy reaches the maximum at 18 carbon atoms; however, the adsorption capacity of 1631 is weak owing to the carbon chain deflection. Based on the Mulliken bond population analysis, reagent 1831 has the strongest interaction with α-quartz (001) surface compared with 1231, 1431 and 1631; and during the adsorption process, charge transfer and electrostatic attraction occur between the reagent and α-quartz (001) surface with similar degrees of charge transfer observed. This study emphasizes that electrostatic attraction plays a key role in the adsorption process, while the week hydrogen bonding plays a secondary role.
为了研究季铵盐在α-石英(001)表面的吸附机理,建立了疏水改性剂1231、1431、1631和1831的吸附模型,并利用密度泛函理论(DFT)对其进行了模拟。结果表明:季铵盐的吸附能随着碳链长度的增加而增大,在18个碳原子处吸附能达到最大值;但由于碳链偏转,1631的吸附能力较弱。基于Mulliken键族分析,试剂1831与α-石英(001)表面的相互作用较1231、1431和1631强;在吸附过程中,试剂与α-石英(001)表面发生电荷转移和静电吸引,且电荷转移程度相近。本研究强调静电吸引在吸附过程中起关键作用,周氢键起次要作用。
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引用次数: 0
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Physicochemical Problems of Mineral Processing
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