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RSC Advances · 2018 ·Vol. 8 ·期 23 ·12870-12878 · IF 2.936

Characterization of CMC–LDH beads and their application in the removal of Cr(VI) from aqueous solution

Li Tan,Hailong Li,Mengru Liu

In this study, CMC–LDH beads were prepared and characterized using SEM, FTIR and TG analysis. The beads were applied for the removal of Cr(VI) from aqueous solution. The effects of adsorbent dosage, initial pH and initial concentration of Cr(VI) solution on Cr(VI) uptake were investigated in detail. Moreover, adsorption isotherms and adsorption kinetic models were employed to analyze the adsorption process, and a preliminary study of the reusability of the adsorbent was performed. The experimental results showed that the CMC–LDH beads could remove Cr(VI) from aqueous solution efficiently. When the initial concentration of the Cr(VI) solution was 100 mg L−1 and the adsorbent dosage was 12 g L−1, the removal efficiency of Cr(VI) reached 96.2%. After the CMC–LDH beads were reused 10 times, the removal efficiency of Cr(VI) still remained at 89.6%.

CAS / MDL: 9004-32-4 9085-26-1
研究领域: 环境科学 · 材料科学 · 化学工程
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MINERALS ENGINEERING · 2019 · IF 3.315

Adsorption mechanism of propyl gallate as a flotation collector on scheelite: A combined experimental and computational study

Fei Lyu,Wei Sun,Sultan Ahmed Khoso,Chenyang Zhang,Runqing Liu,Li Wang,Jiande Gao

In this study, propyl gallate (propyl 3,4,5-trihydroxybenzoate; PG) was introduced as a collector for scheelite. The adsorption mechanism on the scheelite surface was investigated by computational and experimental methods, including first principle calculations and Fourier transform infrared (FTIR) spectroscopy. Flotation experiments were conducted to investigate the flotation performance of PG on scheelite. Ethyl p-hydroxybenzoate (EPHB) and ethyl 3,4-dihydroxybenzoate (EDHB), acting separately as collectors for scheelite, were also investigated for comparison. Our results consistently demonstrated that PG chemisorbed onto the scheelite surface by forming a five-member ring through its ortho oxygens. As speculation, the chelating ability of PG was greater than that of EDHB, and EPHB cannot coordinate to Ca(II), which was in excellent agreement with FTIR results. The flotation results showed that PG exhibited an excellent collecting ability for scheelite, followed by the weaker collecting ability of EDHB. EPHB had nearly no ability to collect scheelite, thus confirming the first principle calculation and FTIR analysis. In addition, PG has a stronger ability to collect scheelite than BHA without activation by any metallic ions. Overall, PG is a promising scheelite collector for application and the activate polyphenolic hydroxyl groups offer a new insight for the development of flotation collectors.

CAS / MDL: 41556-26-7 142-55-2
研究领域: 矿物加工工程 · 理论化学 · 材料科学
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ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH · 2024 ·Vol. 31 ·期 16 ·23822-23838 · IF 0

Adsorption characteristics of Ag+ on sphalerite surface: a combined experimental and first-principle study

Yu Heng,Zhang Hongliang,Zhang Chenyang,Sun Wei,Han Mingjun,Wang Rong,Wei Xin,Li Songjiang

The rapid development of industrial society is also accompanied by the generation of a large amount of heavy metal wastewater, which has caused serious harm to the ecological environment and human society. Natural sphalerite has an important value in the environmental field due to its own semiconducting properties. In order to effectively remove Ag + from wastewater containing silver, this study develops a natural mineral-based Ag + adsorbent material (sphalerite) based on elemental affinity qualities and mineralization principles. The results of batch experiments showed that the initial Ag + concentration of 50 mg/L reduced to 0.094 mg/L with a reaction duration of 15 min, a sphalerite dose of 5 g/L, an initial particle size of −400 mesh (38 μm), a reaction temperature of 25 °C, and a pH of 5. The highest adsorption capacity is 19.77 mg/g, and the adsorption behavior is consistent with the Freundlich isotherm model and pseudo-second-order adsorption kinetics. The results of solution chemical analysis indicate that the presence of Ag + is primarily influenced by the presence of S 2− . Further analysis using SEM-EDS, FTIR, and XPS techniques reveals that Ag + is chemically adsorb onto the mineral surface, resulting in the formation of Ag 2 S. DFT calculations further confirm the overlap between the Ag 4d orbitals and the S 3p orbitals on the surface of sphalerite, further confirming its chemical adsorption. Mulliken populations suggest that charge transfer occurs between Ag + and S atoms in the sphalerite surface. This research systematically reveals the Ag + adsorption mechanism on sphalerite surface and expands research ideas for treating heavy metal wastewater.

研究领域: 环境科学 · 材料科学 · 化学工程 · 物理化学 · 计算化学
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MOLECULES · 2018 ·Vol. 24 ·期 1 ·128 · IF 3.098

Chemical Property Changes and Thermal Analysis during the Carbonizing Process of the Pollen Grains of Typha

Mingliang Gao,Beihua Bao,Yudan Cao,Mingqiu Shan,Fangfang Cheng,Miao Jiang,Peidong Chen,Li Zhang

Carbonized pollen grains of Typha (CPT) were widely used in clinical for antithrombosis, wound and bleeding in China. In order to ensure the role of drugs, it is very important to control the quality of drugs. However, there is a lack of monitoring methods in the process of charcoal preparation. To characterize the process of CPT, we used thermal analysis, scanning electron microscope (SEM), color measurement, Fourier transform infrared spectrometry (FTIR) and HPLC. In this study, 7 min was the optimal processing time and the heating process condition should be controlled under 272.35 ± 7.23 °C. This comprehensive strategy to depict the whole carbonizing process would provide new ideas for researches on quality control of Traditional Chinese Medicine (TCM) and processing theory of charcoal medicine.Keywords:pollen grains of Typha;thermal analysis;carbonizing process;Fourier transform infrared spectrometry (FTIR)

CAS / MDL: 123-92-2 7664-38-2
研究领域: 药学 · 热分析 · 中医 · 光谱学
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SEPARATION AND PURIFICATION TECHNOLOGY · 2023 · IF 8.6

Adsorption mechanisms of activated surface of quartz and feldspar with mixed NaOL/DDA

Lingfeng Shen,Ning Sun,Rui Xu,Wei Sun,Li Wang

In this paper, the flotation separation of quartz and feldspar was studied with CaCl 2 as activators and mixed sodium oleate/ dodecylamine (NaOL/DDA) collectors under alkaline condition, and the action mechanism of mixed NaOL/DDA collectors on the quartz and feldspar surfaces were systematically explored. The results of micro-flotation test showed that there were 90.98% quartz and 13.08% feldspar were floated with 0.5 mmol/L CaCl 2 and 2.8 mmol/L mixed NaOL/DDA collectors with molar ratio of 8/1 at pH 10.0. And the artificial mixed minerals flotation manifested these two minerals were able to efficient separation with CaCl 2 and mixed NaOL/DDA collectors at pH 10 ∼ 11. These outcomes indicated that DDA could increase recovery of quartz obviously and reduce about a half dosage of NaOL (from 0.5 mmol/L to 0.25 mmol/L) in flotation under alkaline condition; Meanwhile, mixed NaOL/DDA collectors were able to decreased the flotation separation pH from 12 to 10 on quartz and feldspar. Infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS) results revealed that when NaOL collector was added alone, it could adsorb on activated quartz surface but hardly detected on feldspar surface at pH 10. However, they all were found on both quartz and felspar surface when mixed NaOL/DDA collectors were introduced as collectors. Quartz microcrystal balance with dissipation (QCM-D) experiment confirmed that mixed NaOL/DDA collectors showed a higher adsorption mass and more stable adsorption layer on quartz compared with NaOL was introduced as collector alone. In addition, whether CaCl 2 , NaOL or mixed NaOL/DDA, the adsorption mass on quartz sensor were larger than that on feldspar senor, which might cause difference of hydrophobicity on the surface of quartz and feldspar in flotation. The above experiments showed that the mixed NaOL/DDA collectors can significantly improve hydrophobic difference between quartz and feldspar after activating with CaCl 2 and expand the floated pH range of quartz compared with using NaOL as collector alone, which were efficient reagents to separate quartz and feldspar in flotation.

CAS / MDL: 10043-52-4
研究领域: 矿物加工 · 表面化学 · 材料科学
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Environmental Science-Nano · 2025 · IF 5.1

Unveiling the promoting effect of water on formaldehyde oxidation over Pt/TiO2: insights from H/D kinetic isotope effect, in situ FTIR, and DFT

Lu Wang,Siyuan Zhang,Jukun Xiong,Meicheng Wen

Formaldehyde (HCHO), a prevalent indoor volatile organic compound, poses significant health risks to humans even at very low concentrations. As a result, its efficient degradation at room temperature is of utmost importance. However, the detailed mechanism for catalytic oxidation of formaldehyde remains unclear, particularly regarding the role of water vapor, which has been subject to considerable debate. In this study, we synthesized Pt-supported TiO2 glass fiber catalysts (Pt/TiO2 GF) via NaBH4 reduction to investigate the reaction pathways and clarify the influence of water vapor on the oxidation process. The reaction mechanism and intermediates were systematically studied at room temperature using in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), kinetic isotope effect (KIE) analysis, and density functional theory (DFT) calculations. Results revealed a clear reaction pathway of HCHO → DOM → HCOO− → CO2, with formate C–H bond cleavage (HCOO−* + O* → CO2 + OH*) identified as the rate-determining step. Both experimental KIE results and theoretical calculations confirmed that water vapor substantially reduces the activation barrier for this step, significantly promoting formate decomposition and subsequent CO2 formation. This work provides critical insights into the role of water in enhancing formaldehyde oxidation and offers theoretical support for developing efficient catalysts suitable for humid environments.

CAS / MDL: 16941-12-1
研究领域: 环境化学 · 催化 · 材料科学 · 表面科学
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Processes · 2024 ·Vol. 12 ·期 11 ·2598 · IF 2.8

Effects of L-Aspartic Acid on Cr(VI) Adsorption onto the Lepidocrocite with Different Exposed Facets: Batch Experiments and In Situ ATR-FTIR Analysis

Xiaofei Li,Tianfu Li,Xiaohu Jin,Yanfu Wei,Yanping Bao,Qian Yao,Fuhua Li,Weicheng Xu,Xiaolian Wu

The adsorption of toxic metals onto iron oxides is a prevalent geochemical process in natural environments. Organic acids are known to modify the adsorption features of toxic ions through either competitive or cooperative effects. Nowadays, the toxic metal adsorption influenced by organic acids on iron oxides with varying facet exposures is not fully understood. This study explored how L-Aspartic acid (LA) influences Cr(VI) adsorption on two different exposure facets of lepidocrocite through batch adsorption experiments, in situ ATR-FTIR spectroscopy, and 2D-COS analysis. The results reveal that LA competes for available binding sites on lepidocrocite, consequently inhibiting the adsorption of Cr(VI). Rod-shaped lepidocrocite (R-LEP) owns more (001) facets and shows stronger Cr(VI) adsorption and LA competition than plate-like lepidocrocite (P-LEP), which mainly has (010) facets. The data for Cr(VI) uptake on both P-LEP and R-LEP within the effect of LA are well-fitted by the pseudo-second-order kinetics and the Freundlich isotherm model, suggesting chemical interaction as the dominant process for Cr(VI) coordination on lepidocrocite. Cr(VI) ions favor interaction with R-LEP over P-LEP, forming inner-sphere complexes on (001) facets. Concurrently, LA’s carboxyl groups can compete for the active sites on the lepidocrocite surfaces, engaging in anion exchange with hydroxyl groups, and forming outer-sphere and inner-sphere structures. This competitive effect is particularly pronounced in the R-LEP system. The current findings are expected to broaden insights into how the exposed facets of lepidocrocite influence the fate of Cr(VI) in the organic acid coexistence environment.

CAS / MDL: 1652591-82-6
研究领域: 环境科学 · 化学
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Journal of Physical Chemistry C · 2025 · IF 3.2

Revealing the Ligand Effect of Axially Coordinated Poly(iron phthalocyanine) Catalysts for Oxygen Reduction Reaction by an In Situ ATR-FTIR CO-Probe Method

Guang Li,Xiufang Zheng,Xu-Yuan Nie,Rui Huang,Bin-Wei Zhang,Yan-Xia Jiang,Shi-Gang Sun

Identifying the structure–activity relationship of transition metal–nitrogen–carbon (MNC) catalysts during the oxygen reduction reaction (ORR) remains a challenge due to the complexity of active sites and the lack of effective methodologies. In this study, an in situ attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) CO-probe method is developed to investigate the electronic effects and structural changes of MNC catalysts, using axial-ligand poly(iron phthalocyanine) (PFePc-X2, X = F, Cl, Br, I) model catalysts. These axial ligands modified the electronic structure of the central Fe atoms, leading to the blue–red shift in the in situ ATR-FTIR CO adsorption (COad) wavenumber. By comparing the COad wavenumbers of PFePc-X2 catalysts, the electronic effects of the axial ligand on the active sites were clarified as follows: F > Cl > Br > I. Moreover, structural changes involving the isoindole nitrogen (N), bridge carbon (C), and benzene-ring carbon (C), collectively assigned as the NCC group, indicated that weaker coordinating ligands were more susceptible to desorption during CO adsorption. These results demonstrate that the in situ ATR-FTIR CO-probe method is an effective strategy for investigating ligand effects in MNC catalysts and holds promise as a potential activity descriptor for ORR performance.

CAS / MDL: 712-74-3 7720-78-7
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ENERGY · 2022 · IF 8.857

Research on the co-pyrolysis of coal slime and lignin based on the combination of TG-FTIR, artificial neural network, and principal component analysis

Zhanshi Ni,Haobo Bi,Chunlong Jiang,Hao Sun,Wenliang Zhou,Zhicong Qiu,Liqun He,Qizhao Lin

Confronted with the shortage of fossil energy, the large inventory and the serious pollution of industrial solid waste, the development of clean and efficient industrial solid waste disposal methods have become a trend. In this study, Thermogravimetric-Fourier transform infrared spectrometry was utilized to carry out the co-pyrolysis experiment of coal slime and lignin. Pyrolysis experiments were carried out following 7 different mass mixing ratios. The initial pyrolysis temperatures of CS, S9G1, S7G3, S5G5, S3G7, S1G9, and LIG were 414.5, 373.3, 287.6, 233.3, 225.8, 218.6, and 209.6 °C, respectively. By observing the evolution of the gaseous products of the sample pyrolysis, the results showed that the gaseous products mainly include hydrocarbons, aldehydes, ethers, and alcohols. The ratio of lignin in the mixture was changed, and the interaction between the sample particles was different. The principal component analysis method provided helps to understand the mechanism of co-pyrolysis of coal slime and lignin. The relative error of the established artificial neural network prediction was less than 2.5%. This paper comprehensively analyzed the interaction and gas evolution law during the co-pyrolysis of coal slime and lignin.

CAS / MDL: 9005-53-2
研究领域: 能源与燃料 · 环境科学
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Materials Science & Engineering C-Materials for Biological Applications · 2016 · IF 3.42

Deposition of calcium phosphate coatings using condensed phosphates (P2O74 − and P3O105 −) as phosphate source through induction heating

Huan Zhou,Saisai Hou,Mingjie Zhang,Mengmeng Yang,Linhong Deng,Xinbo Xiong,Xinye Ni

In present work condensed phosphates (P 2 O 7 4   − and P 3 O 10 5   − ) were used as phosphate source in induction heating to deposit calcium phosphate coatings. The phase, morphology, and composition of different phosphate-related coatings were characterized and compared using XRD, FTIR, and SEM analyses. Results showed that P 2 O 7 4   −   formed calcium pyrophosphate hydrate coatings with interconnected cuboid-like particles. The as-deposited calcium tripolyphosphate hydrate coating with P 3 O 10 5   − was mainly composed of flower-like particles assembled by plate-like crystals. The bioactivity and cytocompatibility of the coatings were also studied. Moreover, the feasibility of using hybrid phosphate sources for preparing and depositing coatings onto magnesium alloy was investigated.

研究领域: 材料科学 · 生物材料 · 表面工程
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SEPARATION AND PURIFICATION TECHNOLOGY · 2021 · IF 7.312

Highly efficient purification of natural coaly graphite via an electrochemical method

Ying Quan,Qinfu Liu,Kuo Li,Hao Zhang,Liang Yuan

Due to the fine granularity of CG with the dissemination of non-graphite minerals, highly efficient purification of natural coaly graphite (CG) by low-cost, low-energy consumption and low-pollution methods remains a challenge. In this study, a novel and efficient electrochemical method is demonstrated for purifying natural CG. The electrochemical purification is carried out in a mixed electrolyte containing 0.5 M (NH 4 ) 2 SO 4 and 10% HF with an optimum potential sequence starting at + 2.5 V for a few minutes followed by a short burst of + 5 V. The CG purification mechanism is proposed based on the experimental results. There are three main factors, namely, the type of the graphite anode, the electrolyte and the applied voltage are critical for effectively electrochemical purification. It is interesting to find that the main purified products are graphene mixed with graphite aggregates at a yield of 68%. Raman analysis indicates that the purified CG has fewer structural defects than the natural CG after removing the non-graphite minerals. Moreover, the XPS and FTIR analysis demonstrate that no other functional groups are grafted onto the parent graphite during this purification process. In comparison with the electrolyte only containing HF, the adding of 0.5 M (NH 4 ) 2 SO 4 in the HF electrolyte could reduce the amount of HF by more than 50%, which cuts the cost and alleviates the impact on the environment.

CAS / MDL: 7783-20-2
研究领域: 材料科学 · 化学工程 · 环境科学
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APPLIED CATALYSIS B-ENVIRONMENTAL · 2011 · IF 4.749

Photocatalytic reforming of C3-polyols for H2 production: Part II. FTIR study on the adsorption and photocatalytic reforming reaction of 2-propanol on Pt/TiO2

Quan Gu,Xianliang Fu,Xuxu Wang,Shifu Chen,Dennis Y.C. Leung,Xiuqiang Xie

The adsorption behavior and the photocatalytic reforming (PR) process of 2-propanol over Pt (1   wt.%)/TiO 2 (PT) photocatalyst have been investigated by Fourier transform infrared (FTIR) spectroscopy. Both the adsorption complexes and the reforming intermediates formed on the PT and the gas-phase were determined and identified by FTIR spectra. The results indicated that the first layer surface of the PT mainly consisted of chemisorbed 2-propanol (Ti–OCH(CH 3 ) 2 ) through the condensation of 2-propanol with surface Ti–OH or dissociative adsorption with undercoordinated Ti atoms, while the second layer consisted of physisorbed 2-propanol by interaction with the chemisorbed one or the formed H 2 O via hydrogen-bond. Under UV irradiation, a rapidly deprotonation of 2-propoxide occurred by the attack of holes (h + ) and resulted in the formation of acetone, which was then slowly oxidized to acetate and formate species by the hydroxyl radicals ( OH). The carboxylates finally decarboxylate over the PT to evolve CO 2 and CH 4 via the photo-Kolbe reaction. According to the results, a reforming mechanism was proposed. The role of the OH groups contained in 2-propanol and its intermediates were found to serve as anchors for their adsorption and to involve the formation of h + transport ways.

研究领域: 光催化 · 氢能 · 表面科学 · 红外光谱学 · 环境催化
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