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FTIR
Minerals · 2018 ·Vol. 8 ·期 4 ·149 · IF 1.835

Developing Effective Separation of Feldspar and Quartz While Recycling Tailwater by HF Pretreatment

Weiqing Wang,Jinyao Cong,Jie Deng,Xiaoqing Weng,Yiming Lin,Yang Huang,Tiefeng Peng

The effect of hydrofluoric acid (HF) pretreatment on flotation of feldspar and quartz using dodecylamine (DDA) as collector was investigated by micro-flotation, zeta potential, pyrene fluorescence spectroscopy, attenuated total reflection flourier transformed infrared spectroscopy (ATR-FTIR), scanning electron microscope (SEM), X-ray photoelectron spectroscopy (XPS) and bench scale flotation. The micro-flotation tests revealed that there was little difference in the flotation of feldspar and quartz at pH 2, using H2SO4as pH regulator. After HF pretreatment, the floatability of feldspar significantly increased while the floatability of quartz showed no change. HF pretreatment resulted in leaching of SiO2and enrichment of Na, K and Al on the feldspar surface. Consequently, the negative surface charge of feldspar increased at pH 2, which allowed for the flotation separation of the feasible minerals. This took place via an increased electrostatic adsorption between DDA and Na, K, Al on the feldspar surface, which effectively increased its hydrophobicity and as a result, improved the floatability of feldspar. An alternative process which exhibited effective separation of quartz and feldspar while recycling the tailwater from the flotation was proposed.Keywords:hydrofluoric acid;flotation;DDA;ATR-FTIR

研究领域: 矿物加工工程 · 材料科学与工程
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Frontiers in Environmental Chemistry · 2021 · IF 0

In-Situ FTIR Study of Heterogeneous Oxidation of SOA Tracers by Ozone

Wang Runhua,Huang Yajuan,Hu Qian,Cao Gang,Zhu Rongshu

Secondary organic aerosols (SOA) play an important role in global climate change and air quality, and SOA tracers can directly characterize the source and reaction mechanism of SOA. However, it is not well known that whether the tracers can be oxidized or how the instability of the tracers in the atmosphere. In this paper, in-situ FTIR was used to analyze the chemical structure changes of erythritol, analogue of 2-methyl erythritol (AME) that is, a tracer of isoprene SOA, and 2, 3-dihydroxy-4-oxopentanoic acid (DHOPA), a tracer of toluene SOA, when exposed to high concentration of ozone for short periods. Under the condition of 20 ppm ozone exposure for 30 min, the change rate of absorption area of AME at 3,480 and 1700 cm−1 was −0.0134 and 0.00117 int.abs/s, respectively, and the change rate of the absorption area of DHOPA at 1,640 and 3340cm−1 was −0.00191 and 0.00218 int.abs/s, respectively. The pseudo-first-order reaction rate constant kapp were 1.89 × 10−8 and 2.12 × 10−7 s−1, and the uptake coefficients of ozone on the surface of AME and DHOPA were (1.3 ± 0.8) × 10−8 and (4.5 ± 2.7) × 10−8, respectively. These results showed the oxidation processes of AME and DHOPA were slow in the presence of high concentrations of ozone, which implied that AME and DHOPA could be considered to be stable in the atmospheric environment with ozone as the main oxidant.

研究领域: 环境科学 · 大气化学
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JOURNAL OF CULTURAL HERITAGE · 2025 · IF 3.3

Rapid and non-destructive identification of the leather artifacts using FTIR-PCA

Mingrui Zhang,Zonghuan Ba,Jie Liu,Yong Lei,Mǎdǎlina Georgiana Albu Kaya,Keyong Tang

Due to the variations in deterioration and the diversity of tanning processes, the identification of leather artifacts is a challenge. In the present work, a non-destructive and rapid identification method is provided by combining Fourier transform infrared spectroscopy (FTIR) with principal component analysis (PCA). By analyzing a total of 4 types, encompassing with 30 model sets, this method has been proven effective in eliminating interference related to the deterioration and overcoming key obstacles in identifying the leather manufacturing process of the leather artifacts. Two pieces of leather artifacts representing different periods, regions, and animal types were studied using the proposed method. Further high-performance liquid chromatography (HPLC) was performed to verify the identification results and method accuracy. In addition, by evaluating against the models, the alkaline treated sample showed higher reliability compared to the acid treated one. This method effectively addressed the challenges in accurately identifying the leather tanning processes and demonstrated the importance of analyzing and conserving a wider range collagen-based artifacts.

CAS / MDL: 1310-73-2
研究领域: 文物保护 · 化学分析 · 材料科学
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BIORESOURCE TECHNOLOGY · 2019 · IF 6.669

Characterization of moxa floss combustion by TG/DSC, TG-FTIR and IR

Yuan Zhang,Liping Kang,Hongmei Li,Xianzhang Huang,Xiaoyu Liu,Lanping Guo,Luqi Huang

The combustion of moxa floss was investigated by thermogravimetric/differential scanning calorimeter (TG/DSC), thermogravimetric/Fourier transform infrared spectroscopy (TG-FTIR) and an infrared radiation spectrum-detecting system. The average mass loss rate at the major stage of combustion was 1.08%/min with a peak at 7.86%/min. Moxa floss burning released the integral heat of 9188 mJ/mg from the temperature of 200 °C to 500 °C. The peak heat flow during char combustion stage was higher than those of other stages. The results indicated the combustion of moxa floss was a mild and slow process, releasing heat continuously and steadily. The infrared radiation spectra of burning moxa stick were in a range of 2.5–13.0 µm and showed double peaks at 3.75 µm and 8.75 µm. Thus, this study provided insight into why moxa floss biomass is the optimal material for thermal therapy and is beneficial for the development of electric thermal stimulation alternative.

CAS / MDL: 64-17-5 7758-19-2
研究领域: 热疗研究 · 生物医学工程 · 材料科学
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POLYMER · 2026 · IF 4.5

Polyacrylonitrile Powder Dissolution Behavior in Organic Solvents via Time-Resolved FTIR-ATR Spectroscopy

Songsong Li,Chunqi Wang,Yunjiao Deng,Shiling Jia,Zhongyu Fu,Huixuan Zhang

The dissolution mechanism of polyacrylonitrile (PAN) in solvent (dimethyl sulfoxide (DMSO), N, N-dimethylacetamide (DMAC) or N, N-dimethylformamide (DMF)) was investigated by theoretical and experimental approach. Theoretical simulation revealed DMAc and DMF adopt planar two-dimensional structures with a resonance-stabilized N–C=O group, whereas DMSO exhibits a three-dimensional configuration. The dominant role of the interaction between free-state solvent molecules and PAN chains in the dissolution process was confirmed through analysis of zero-point energy between solvent–solvent and solvent–PAN. The interaction peaks assignment between solvent and PAN were identified by analyzing the Fourier transform infrared spectroscopy (FTIR) characteristic peaks of red or blue shift. By performing peak fitting on time- resolved attenuated total reflection FTIR spectroscopy revealed the mechanism of microscopic dissolution. Viscosity measurements showed an initial increase followed by a decrease and eventual stabilization of viscosity, demonstrating a swelling–dissolution mechanism.

CAS / MDL: 75-05-8
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Crystals · 2020 ·Vol. 10 ·期 10 ·922 · IF 2.404

Study on Co-Crystallization of LCZ696 Using In Situ ATR-FTIR and Imaging

Xiao Juan Liu,Yang Zhang,Xue Zhong Wang

In situ ATR-FTIR spectroscopy and imaging and image analysis were applied to the study of the multicomponent co-crystallization process involvingS-valsartan and sacubitril in which LCZ696 crystals were formed. LCZ696 is a combination drug for use in heart failure that was approved by the FDA in 2015 following development by Novartis Pharmaceuticals. Though much work was reported on LCZ696 about its pharmacokinetic and pharmacodynamic effects in the evaluation and clinical testing, less attention was paid to study on the co-crystallization process. LCZ696 crystals have shown difficulties in filtration mainly due to the small particle size. In this work, LCZ696 crystals were prepared successfully byS-valsartan and sacubitril, and characterized by SEM, XRPD, TG-DSC and ATR-FTIR. ATR-FTIR and imaging and image analysis were used to monitoring solution concentration and investigating the co-crystallization mechanism. It revealed that the nucleation process was very slow compared with the transformation process, which is indication that the co-crystallization was controlled by nucleation. LCZ696 crystals are composed of very thin hexagonal plates, which seems indicating that LCZ696 crystals grow mainly in two size dimensions. Stirrer speed and crystal seeds were found to have noticeable effect on the induction time, transformation time and crystal size distribution. The Johnson-Mehl-Avrami equation was found to be able to describe the co-crystallization process.Keywords:S-valsartan and sacubitril co-crystallization;LCZ696;ATR-FTIR;On-line process imaging

CAS / MDL: 137862-53-4
研究领域: 药学 · 材料科学 · 分析化学
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Journal of Energetic Materials · 2017 · IF 1.557

Compatibility of 2, 4, 6, 8, 10,12-Hexanitrohexaazaisowurtzitane with a Selection of Insensitive Explosives

Xi Li,Qiu-han Lin,Xin-Ying Zhao,Zhi-Wei Han,Bo-liang Wang

Thermal techniques (differential scanning calorimetry (DSC) and the vacuum stability test (VST)), according to STANAG 4147, and non-thermal techniques (Fourier transform infrared (FTIR) spectrometry and X-ray diffractometry (XRD)) were used to examine compatibility issues for 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane (CL-20) with a selection of insensitive explosives, including nitroguanidine (NQ), 2,4,6-trinitrotoluene (TNT), 2,6-diamino-3,5-dinitropyridine-1-oxide (ANPyO), 2,4,6-triamino-1,3,5-trinitrobenzene (TATB), 3-nitro-1,2,4-triazol-5-one (NTO) and 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105). DSC measurements showed that ANPyO, TATB, NTO and LLM-105 were compatible with CL-20. The compatibility of CL-20/NQ, CL-20/TNT, CL-20/ANPyO, CL-20/TATB, CL-20/NTO and CL-20/LLM-105 mixtures was further explored using the VST, which revealed that all the selected insensitive explosives were compatible with CL-20. Possible chemical interactions were suspected for CL-20/TATB from the FTIR results and for CL-20/NTO from XRD analysis. In summary, ANPyO and LLM-105 demonstrated the optimal compatibility with CL-20.

研究领域: 材料科学 · 化学工程 · 爆炸物研究
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Journal of Environmental Chemical Engineering · 2023 · IF 7.7

Insights into the performance and mechanism of Cr(VI) and U(VI) removal in water using innovative cross-linked chitosan adsorbent

Peng Cheng,Zhiyang Wei,Yara Arbid,Tengfei Fu,Xiaowei Liu,Olivier Monfort

The primary aim of this work is to test a novel adsorbent prepared by cross-linking of tetrafluoroterephthalonitrile with chitosan (CS-TFT) for the removal of Cr(VI) and U(VI). The CS-TFT is stable until 250 °C and possesses amino functional groups due to the presence of CS that remain intact even after the cross-linking reaction, thus being a benefit for adsorption properties; while the TFT brought roughness to CS-TFT that keeps its high porosity. The adsorption efficiency of CS-TFT is evaluated in the batch experiment of Cr(VI) and U(VI) adsorption along with the effect of different experimental parameters (pH, time, temperature, initial concentrations, and co-existing inorganic cations). The maximum adsorption capacity of CS-TFT for adsorption of Cr(VI) and U(VI) was 265.96 mg·g -1 at pH = 3 and 346.06 mg·g -1 at pH = 5, respectively, at 298 K and the corresponding partition coefficients were 12,454 and 6181 mg g -1 mM -1 , respectively. The kinetics of the adsorption process is identified as a pseudo-second-order model and the Langmuir isotherm model is considered. The CS-TFT shows satisfactory reusability since it can be used after 6 cycles of regeneration with a removal efficiency of Cr(VI) and U(VI) higher than 90 %. The adsorption mechanism is also proposed based on investigation of CS-TFT by FTIR, XPS and SEM-EDS before and after adsorption. The results show that hydroxy (–OH) and amino (–NH 2 ) groups play a key role in the chemical adsorption . All these findings suggest that CS-TFT could be a promising adsorbent for wastewaters treatment .

CAS / MDL: 9012-76-4 1835-49-0
研究领域: 环境科学 · 材料科学
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MOLECULES · 2018 ·Vol. 23 ·期 9 ·2163 · IF 3.098

Identification of Three Dalbergia Species Based on Differences in Extractive Components

Xiaoqian Yin,Anmin Huang,Shifeng Zhang,Ru Liu,Fang Ma

Dalbergia cultrate,Dalbergia latifolia, andDalbergia melanoxylonare precious and valuable traded timber species of the genusDalbergia. For chemotaxonomical discrimination between these easily confused species, the total extractive content of the three wood species was determined using four different organic solvents. Fourier transform infrared (FTIR) spectroscopy was used to analyze functional group differences in the extractive components, inferring the types of principal chemical components according to characteristic peak positions, intensities, and shapes. Gas chromatography-mass spectrometry (GC-MS) was carried out a detailed characterization of the extractive components. The relative content of individual chemical components was determined by area normalization. Results revealed differences in the chemical components and total and individual extract contents of the threeDalbergiaspecies, indicating that FTIR and GC-MS spectroscopy can be applied to identify and discriminate betweenDalbergia cultrate,Dalbergia latifolia, andDalbergiamelanoxylon.Keywords:Dalbergiaspp.;distinction;extractives;FTIR;GC-MS

研究领域: 植物学 · 林学 · 分析化学
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JOURNAL OF THE ENERGY INSTITUTE · 2025 · IF 6.2

TG-FTIR analysis of co-pyrolysis behavior between petroleum coke and model lignocellulosic biomass

Haoxin Jiang,Yuyan Zheng,Zhuoya Dong,Hui Ming,Xuqiang Guo,Lihua Cheng,Libo Zhang

The co-pyrolysis of petroleum coke with lignocellulosic biomass components offers a promising route for the high-value utilization of petroleum-refining by-products and sustainable biomass conversion. This study employs coupled Thermogravimetric analysis-Fourier-transform infrared spectroscopy (TGA-FTIR) to systematically examine the co-pyrolysis behaviour and interaction mechanisms between petroleum coke and model lignocellulosic components (cellulose, hemicellulose and lignin) across the temperature range 30–850 °C at heating rates of 5, 10, 15 and 20 °C·min −1 . The results demonstrate that the cellulose–petroleum coke system exhibits optimal volatile-release kinetics at 10 °C·min −1 , with a diffusion coefficient (D = 9.65 × 10 −10  min −2  °C −3 ) and a maximum mass-loss rate (DTG max  = −1.47 %·min −1 ). In contrast, the lignin–petroleum coke system shows pronounced synergistic effects at high temperatures (>600 °C), as supported by activation energies of 57.60–84.14 kJ mol −1 and Gibbs free-energy changes (ΔG = 72.23–98.01 kJ mol −1 ), indicating catalytic and flame-retardant potential. Mechanistic insights reveal that lignocellulosic components exert phase-dependent modulation on pyrolysis dynamics, suppressing petroleum-coke hydration, fine-tuning volatile-diffusion kinetics and facilitating graphitization via co-carbonization pathways. These findings provide a scientific basis for the precise engineering of pyrolysis-product characteristics and advance the development of tailored thermochemical conversion strategies.

研究领域: 能源工程 · 化学工程 · 热分析 · 可持续能源 · 材料科学
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JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS · 2020 · IF 3.905

Comparative chemical analysis of pyrolyzed bio oil using online TGA-FTIR and GC-MS

Mudassir Hussain Tahir,Xingxing Cheng,Rana Muhammad Irfan,Rizwan Ashraf,Yiteng Zhang

The present study proposed successfully TG-FTIR as a novel technique for high quality bio oil production having desirable concentration of targeted products especially phenols and acids. TG-FTIR analysis of pine waste was performed to calculate yield of desirable chemical compounds at different temperature ranged 350−600 °C. While, bio oil was produced at each corresponded temperatures and GC–MS analysis was carried out to support TG-FTIR analysis which showed high consistency. Additionally, efficient extraction of phenolic compounds was performed via complex method using Ca 2+ as a complex agent under alkaline conditions which showed that 95 % phenols were extracted successfully. Meanwhile, production of calcium acetate in residue bio oil turns this study highly valuable for future scientific research.

研究领域: 生物质能 · 分析化学 · 环境科学
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COMBUSTION AND FLAME · 2022 · IF 5.767

Mechanism study on arabinose pyrolysis by combining TG-FTIR-GC–MS and theoretical calculations

Junrui Duan,Haowei Hu,Jie Ji

In this study, arabinose was selected as the model compound of hemicellulose . The pyrolysis experiments were conducted by combined thermogravimetry-Fourier infrared spectroscopy-gas chromatography-mass spectrometry (TG-FTIR-GC–MS) technique. The evolution of functional groups was observed. Experimental results indicated that the main gas products were H 2 O, CO 2 , and CH 4 . And volatiles also contained many furan derivatives, sugar derivatives, aromatic hydrocarbon derivatives, and other trace products. In addition, the quantum chemistry calculations were utilized to reveal the formation mechanisms and pathways of the significant products from arabinose pyrolysis. Initially, arabinose prefers to undergo a ring-opening reaction to form acyclic D-arabinose with the activation energy of 177.6 kJ/mol, which is the primary source of each product. Furfural (PD) is the most abundant furan derivative. The ring-condensation reaction first of arabinose and the isomerization reaction first of D-arabinose are the favorable paths to form it in terms of energy. The C1-C2 bond scission of D-arabinose is more favorable to form furan (PA) and formic acid . The dehydration mechanism first of arabinose is the dominant path to generate 2,7-dioxabicyclo[2.2.1]heptan-5-one (PE). The formation of acetic acid (PB) is kinetically and thermodynamically favorable. Once it is formed, it is easy to decompose into CO 2 and CH 4 . The formation of 2(5H)-furanone (PC) is restricted by the decarboxylation reaction of D-arabinose, which has a high energy barrier of 384.8 kJ/mol. To conclude, a deep understanding of the pyrolysis mechanism of arabinose could be obtained through the combination of experiments and quantum chemistry calculations.

CAS / MDL: 10323-20-3
研究领域: 生物质能 · 化学工程 · 理论化学
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