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Establishing two-stage interaction between fly ash and NaOH by X-ray and infrared analyses

Bhagwanjee JHA,Nevin KOSHY,Devendra Narain SINGH

《环境科学与工程前沿（英文）》 2015年 第9卷 第2期   页码 216-221 doi: 10.1007/s11783-014-0630-8

摘要： The interaction of the fly ash and NaOH, in an open reflux hydrothermal system at 100°C, has been explored by several researchers and formation of fly ash zeolites has been confirmed based on the X-ray diffraction analysis of the residues. However, this method does not reveal much about the characteristic transitions (viz. elemental, electro-negativity and cation exchange capacity) of the residues. In this situation, resorting to Fourier transform-infrared radiation (FT-IR) spectroscopy on the residues obtained from two-stage hydrothermal treatment process, described in this manuscript, appears to be a novel idea to establish transitions in chemical bonds (viz., -Si-OH-Al-, OH-Na, OH-Al-), crystallinity and cation exchange capacity of these residues. Based on extensive studies, it has been demonstrated that FT-IR spectroscopy is extremely useful for 1) detection of chemical bonds in the residues, 2) evaluation of zeolites in the residues and 3) also establishing the superiority of the two-stage interaction of the fly ash with NaOH for synthesizing better fly ash zeolites (viz., Na-P1 and Hydroxysodalte) as compared to those obtained from the conventional single-stage treatment of the fly ash.

关键词： hydrothermal treatment     alkali activation     fly ash zeolites     X-ray diffraction (XRD) and Fourier transform-infrared radiation (FT-IR) spectroscopy    

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β-Nickel hydroxide cathode material for nano-suspension redox flow batteries

Yue LI, Cheng HE, Elena V. TIMOFEEVA, Yujia DING, Javier PARRONDO, Carlo SEGRE, Vijay RAMANI

《能源前沿（英文）》 2017年 第11卷 第3期   页码 401-409 doi: 10.1007/s11708-017-0496-0

摘要： As part of an effort to build a prototype flow battery system using a nano-suspension containing β-Ni(OH) nanoparticles as the cathode material, nano-sized β-Ni(OH) particles with well-controlled particle size and morphology were synthesized via the one-step precipitation of a NiCl precursor. The composition and morphology of the nanoparticles were characterized by scanning electronic microscopy (SEM) and X-ray diffraction (XRD). The XRD patterns confirmed that β-Ni(OH) was successfully synthesized, while SEM results showed that the particle sizes range from 70 to 150 nm. To ensure that Ni(OH) could be employed in the nano-suspension flow battery, the electrochemical performance of the synthesized β-Ni(OH) was initially tested in pouch cells through charge/discharge cycling. The phase transformations occurring during charge/discharge were investigated using X-ray absorption spectroscopy to obtain the shift in the oxidation state of Ni (X-ray adsorption near edge structure, XANES) and the distances between Ni and surrounding atoms in charged and discharged states (extended X-ray absorption fine structure, EXAFS). XANES results indicated that the electrode in the discharged state was a mixture of phases because the edge position did not shift back completely. XAFS results further proved that the discharge capacity was provided by β-NiOOH and the ratio between β-Ni(OH) and g-NiOOH in the electrode in the discharged state was 71:29. Preliminary nano-suspension tests in a lab-scale cell were conducted to understand the behavior of the nano-suspension during charge/discharge cycling and to optimize the operating conditions.

关键词： nano-suspension flow battery     β-Ni(OH)2     scanning electronic microscopy (SEM)     X-ray diffraction (XRD)     X-ray adsorption near edge structure (XANES)     extended X-ray absorption fine structure (EXAFS)    

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Adsorption of fluoride on clay minerals and their mechanisms using X-ray photoelectron spectroscopy

Junyi DU, Daishe WU, Huayun XIAO, Ping LI

《环境科学与工程前沿（英文）》 2011年 第5卷 第2期   页码 212-226 doi: 10.1007/s11783-010-0255-5

摘要： This research investigates the adsorption mechanisms of fluoride (F) on four clay minerals (kaolinite, montmorillonite, chlorite, and illite) under different F concentrations and reaction times by probing their fluoride superficial layer binding energies and element compositions using X-ray photoelectron spectroscopy (XPS). At high F concentrations ( = 5–1000 mg·L ), the amount of F adsorbed ( ), amount of hydroxide released by clay minerals, solution F concentration, and the pH increase with increasing . The increases are remarkable at >50 mg·L . The increases significantly by continuously modifying the pH level. At <5–100 mg·L , clay minerals adsorb H to protonate aluminum-bound surface-active hydroxyl sites in the superficial layers and induce F binding. As the increases, F , along with other cations, is adsorbed to form a quasi-cryolite structure. At >100 mg·L , new minerals precipitate and the product depends on the critical Al concentration. At [Al ]>10 mol·L , cryolite forms, while at [Al ]<10 mol·L , AlF is formed. At low (0.3–1.5 mg·L ), proton transfer occurs, and the F adsorption capabilities of the clay minerals increase with time.

关键词： clay mineral     fluoride (F)     adsorption mechanism     X-ray photoelectron spectroscopy (XPS)    

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采用白光X射线源和模拟阵列能量色散阵列探测器的高通量粉末衍射技术 Article

汪晓平, 董伟伟, 张鹏, 唐浩琪, 张澜庭, 杨铁莹, 刘鹏, 汪洪, 项晓东

《工程（英文）》 2022年 第10卷 第3期   页码 81-88 doi: 10.1016/j.eng.2021.05.023

摘要： text-align: justify;">在上海同步辐射光源（SSRF）的弯铁光束线上，利用由空间扫描硅漂移探测器（SDD）模拟获得的能量色散阵列探测器，对CeO2样品进行高通量白光X射线粉末衍射校正后的衍射图谱表明，由能量色散X 射线衍射（EDXRD）获得的不同衍射峰之间的相对强度与来自角度分辨X射线衍射（ARXRD）的相对强度一致，说明EDXRD结果可用于分析未知样品的晶体结构。实验同时采集了X射线荧光（XRF）信号。来自所有像素的XRF计数可直接在能量坐标下叠加，而衍射信号则需在d 空间下叠加，从而大大改善了阵列探测器的峰值强度和信噪比（S/N）。与ARXRD相比，白光X射线衍射信号强度是单色光衍射信号强度的104倍左右。

关键词： 高通量实验     白光X射线衍射     能量色散阵列探测器     能量色散X射线衍射     角分辨X射线衍射    

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Application and mechanism of polysaccharide extracted from Enteromorpha to remove nano-ZnO and humic acid in coagulation process

Jianzhang Sun, Baoyu Gao, Yuanxia Luo, Moxi Xue, Xing Xu, Qinyan Yue, Yan Wang

《环境科学与工程前沿（英文）》 2018年 第12卷 第3期 doi: 10.1007/s11783-018-1029-8

摘要： Enteromorpha polysaccharide (Ep) extracted from alga a novel green coagulant aid for nanoparticles (NPs) and heavy metal ions removal and the structure of EP was intensively studied in this study. The integration of Ep with polyaluminum chloride (PAC-Ep) coagulants exhibited higher coagulation performance than that of the polyaluminum chloride (PAC) because of the negatively charged NPs suspension and humic aid (HA) solution. Significant high removal efficiencies of dissolved organic matter (94.1%), turbidity (99.3%) and Zn ions (69.3%) were achieved by the PAC-Ep coagulants. The dual-coagulation properties of PAC-Ep for different pollutants was based on multiple mechanisms, including (i) Al charge neutralization; (ii) hydroxy aluminum hydroxyl bridging formed polynuclearhydroxy complexes bridge and sweep colloidal particles; (iii) adsorption and bridging of Ep chain for the NPs and heavy metal ions. Results indicated that the destabilization of colloid was induced by the coexisting HA and higher removal was achieved as ions adsorption was enhance in the presence of HA complexation. On the basis of that, the extraction of polysaccharide is a promising candidate for its high coagulation performance in water treatment.

关键词： Algal Extraction     Enteromorpha polysaccharide     1H-13C nuclear magnetic resonance (NMR)     Fourier transform infrared (FTIR)     X-ray photoelectron spectroscopy (XPS)     Coagulation mechanism.    

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Real time monitoring of bioreactor mAb IgG3 cell culture process dynamics via Fourier transform infraredspectroscopy: Implications for enabling cell culture process analytical technology?

Huiquan Wu, Erik Read, Maury White, Brittany Chavez, Kurt Brorson, Cyrus Agarabi, Mansoor Khan

《化学科学与工程前沿（英文）》 2015年 第9卷 第3期   页码 386-406 doi: 10.1007/s11705-015-1533-3

摘要： Compared to small molecule process analytical technology (PAT) applications, biotechnology product PAT applications have certain unique challenges and opportunities. Understanding process dynamics of bioreactor cell culture process is essential to establish an appropriate process control strategy for biotechnology product PAT applications. Inline spectroscopic techniques for real time monitoring of bioreactor cell culture process have the distinct potential to develop PAT approaches in manufacturing biotechnology drug products. However, the use of inline Fourier transform infrared (FTIR) spectroscopic techniques for bioreactor cell culture process monitoring has not been reported. In this work, real time inline FTIR Spectroscopy was applied to a lab scale bioreactor mAb IgG3 cell culture fluid biomolecular dynamic model. The technical feasibility of using FTIR Spectroscopy for real time tracking and monitoring four key cell culture metabolites (including glucose, glutamine, lactate, and ammonia) and protein yield at increasing levels of complexity (simple binary system, fully formulated media, actual bioreactor cell culture process) was evaluated via a stepwise approach. The FTIR fingerprints of the key metabolites were identified. The multivariate partial least squares (PLS) calibration models were established to correlate the process FTIR spectra with the concentrations of key metabolites and protein yield of in-process samples, either individually for each metabolite and protein or globally for all four metabolites simultaneously. Applying the 2 derivative pre-processing algorithm to the FTIR spectra helps to reduce the number of PLS latent variables needed significantly and thus simplify the interpretation of the PLS models. The validated PLS models show promise in predicting the concentration profiles of glucose, glutamine, lactate, and ammonia and protein yield over the course of the bioreactor cell culture process. Therefore, this work demonstrated the technical feasibility of real time monitoring of the bioreactor cell culture process via FTIR spectroscopy. Its implications for enabling cell culture PAT were discussed.

关键词： process analytical technology (PAT)     Fourier-transform infrared (FTIR) spectroscopy     partial least squares (PLS) regression     mouse IgG3     bioreactor cell culture process     real time process monitoring    

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Design of efficient Pt-based electrocatalysts through characterization by X-ray absorption spectroscopy

Nebojsa S. MARINKOVIC, Kotaro SASAKI, Radoslav R. ADZIC

《能源前沿（英文）》 2017年 第11卷 第3期   页码 236-244 doi: 10.1007/s11708-017-0487-1

摘要： A method is described to determine the internal structure of electrocatalyst nanoparticles by X-ray absorption spectroscopy (XAS). The nondestructive spectroscopic technique typically utilizing synchrotron radiation as the source measures changes in the X-ray absorption coefficient as a function of energy. The bulk technique has found its use for materials characterization in all scientific areas, including nanomaterials. The analysis of the internal structure of nanoparticles reveals interatomic distances and coordination numbers for each element, and their values and mutual relations indicate whether the elements form a homogeneous or heterogeneous mixture. The core-shell heterogeneous structure in which certain elements are predominantly located in the core, and others form the encapsulating shell is of particular importance in catalysis and electrocatalysis because it may reduce the amount of precious metals in nanoparticles by replacing the atoms in the core of nanoparticles with more abundant and cheaper alternatives. The examples of nanoparticle structures designed in the laboratory and the approach to model efficient catalysts through systematic analysis of XAS data in electrochemical systems consisting of two and three metals are also demonstrated.

关键词： X-ray absorption spectroscopy     EXAFS     XANES     nanocatalysts     core shell    

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A combined experimental and theoretical study of micronized coal reburning

Hai ZHANG, Jiaxun LIU, Jun SHEN, Xiumin JIANG

《能源前沿（英文）》 2013年 第7卷 第1期   页码 119-126 doi: 10.1007/s11708-012-0226-6

摘要： Micronized coal reburning (MCR) can not only reduce carbon in fly ash but also reduce NO emissions as compared to the conventional coal reburning. However, it has two major kinetic barriers in minimizing NO emission. The first is the conversion of NO into hydrogen cyanide (HCN) by conjunction with various hydrocarbon fragments. The second is the oxidation of HCN by association with oxygen-containing groups. To elucidate the advantages of MCR, a combination of Diffuse Reflection Fourier Transform Infrared (FTIR) experimental studies with Density Functional Theory (DFT) theoretical calculations is conducted in terms of the second kinetic barrier. FTIR studies based on Chinese Tiefa coal show that there are five hydroxide groups such as OH-π, OH-N, OH-OR , self-associated OH and free OH. The hydroxide groups increase as the mean particle size decreases expect for free OH. DFT calculations at the B3LYP/6-31 G(d) level indicate that HCN can be oxidized by hydroxide groups in three paths, HCN+OH→HOCN+H (path 1), HCN+OH→HNCO+H (path 2), and HCN+OH→CN+H O (path 3). The rate limiting steps for path 1, path 2 and path 3 are IM2→P1+H (170.66 kJ/mol activated energy), IM1→IM3 (231.04 kJ/mol activated energy), and R1+OH→P3+H O (97.14 kJ/mol activated energy), respectively. The present study of MCR will provide insight into its lower NO emission and guidance for further studies.

关键词： hydroxyl radicals     Fourier transform infrared spectroscopy (FTIR)     density functional theory (DFT)     homogeneous reaction mechanism     NOx    

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natural magnetite and siderite: Evidence from sorption kinetics, sequential extraction and extended X-rayabsorption fine-structure spectroscopy analysis

《环境科学与工程前沿（英文）》 2022年 第16卷 第9期 doi: 10.1007/s11783-022-1547-2

摘要：

• DPAA sorption followed pseudo-secondary and intra-particle diffusion models.

关键词： Diphenylarsinic acid (DPAA)     Sorption     Magnetite     Siderite     Sequential extraction     EXAFS    

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A study on quality evaluation for bituminous mixture using X-ray CT

Satoshi TANIGUCHI, Keiichiro OGAWA, Jun OTANI, Itaru NISHIZAKI

《结构与土木工程前沿（英文）》 2013年 第7卷 第2期   页码 89-101 doi: 10.1007/s11709-013-0197-7

摘要： The objective of this paper is to propose a new quality evaluation method for asphalt concrete mixture using X-ray CT scanner. To achieve this aim, asphalt mixtures should be subjected to the X-ray CT scanning and its characteristics should be clarified. The approach employed in this study was as follows: 1) Coarse aggregate, fine aggregate, filler and bitumen were prepared; 2) dense-graded, coarse-graded and porous asphalt mixtures were made; 3) materials and mixtures were subjected to the X-ray CT scanning; 4) frequency of CT-value, threshold value, average slice CT-value, average segment CT-value were computed. In the material examination, CT-value of aggregate becomes smaller in the order of coarse aggregate, fine aggregate and filler and CT image of bitumen was nearly homogeneous. In the mixture examination, histograms of CT-value and four segmentation images made from CT images expressed the material and mixture characterization such as particle size and the difference in bitumen content and mixture type visibly and the bitumen content varies with the threshold values. In addition, the average segment CT-value without threshold value by dividing the fine aggregate from the coarse aggregate and average CT-value of the coarse aggregate, especially is highly correlated with average CT-value of the bitumen.

关键词： asphalt concrete mixture     aggregate     bitumen     bitumen content     quality evaluation     X-ray CT    

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Thermogravimetric coupled with Fourier transform infrared analysis study on thermal treatment of monopotassium

Yuheng FENG, Xuguang JIANG, Yong CHI, Xiaodong LI, Hongmei ZHU

《环境科学与工程前沿（英文）》 2011年 第5卷 第2期   页码 186-192 doi: 10.1007/s11783-011-0322-6

摘要： In China, safe disposal of hazardous waste is more and more a necessity, urged by rapid economic development. The pyrolysis and combustion characteristics of a residue from producing monopotassium phosphate (monopotassium phosphate residue), considered as a hazardous waste, were studied using a thermogravimetric, coupled with Fourier transform infrared analyzer (TG-FTIR). Both pyrolysis and combustion runs can be subdivided into three stages: drying, thermal decomposition, and final devolatilization. The average weight loss rate during fast thermal decomposition stage in pyrolysis is higher than combustion. Acetic acid, methane, pentane, (acetyl) cyclopropane, 2,4,6-trichlorophenol, CO, and CO were distinguished in the pyrolysis process, while CO was the dominant combustion product.

关键词： hazardous waste     combustion     pyrolysis     thermogravimetric coupled with Fourier transform infrared analysis (TG-FTIR)     monopotassium phosphate residue    

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Error analysis of the parameters for non-coaxial grazing X-ray microscope

ZHAO Lingling, HU Jiasheng, LI Xiang

《机械工程前沿（英文）》 2007年 第2卷 第3期   页码 323-329 doi: 10.1007/s11465-007-0057-z

摘要： A non-coaxial grazing X-ray microscope, consisting of four spherical mirrors, is designed for diagnosis of inertial confinement fusion (ICF). The aberrations and imaging quality of the microscope are analyzed. To acquire excellent imaging quality, suitable tolerances for manufacturing and assembling the microscope are necessary. This paper researches the changes of Gauss parameters and aberrations due to component and subsystem parameters (such as the radius of the mirror, angle between mirrors, grazing angle, object distance, etc.). Here, spot diagrams and modulation transfer function (MTF) are first adopted to quantitatively evaluate the imaging quality of the microscope. Suitable manufacturing tolerances of components and assembly tolerances of the system are established on the basis of the discussion and analysis. A set of non-coaxial grazing X-ray microscopes is manufactured based on the tolerances. In site tests of ICF, the images with high resolution are obtained by the microscope.

关键词： non-coaxial     spherical     manufacturing     necessary     diagnosis    

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高压多晶X射线衍射方法的发展及其在地球深部研究中的应用 Review

张莉, 苑洪胜, 孟悦, 毛河光

《工程（英文）》 2019年 第5卷 第3期   页码 441-447 doi: 10.1016/j.eng.2019.02.004

摘要： 相对于同步辐射光源设备中可用的聚焦X射线光斑尺寸（3~5 μm），晶粒尺寸要小一个量级，所得到的X射线衍射（X-ray diffraction, XRD）图谱通常显示为衍射斑点和衍射环的混合。由于多相衍射峰重叠严重，粉晶X射线衍射法无法对新相和弱相进行鉴定，因此采用传统XRD技术测定高温高压下多相混合物非常困难。我们最近在高压研究中所发展的同步辐射多晶X射线衍射法可以通过测定多相组合中成千上百个晶粒各自的晶面取向，使多相体系中单晶的指标化成为可能。一旦完成指标化，多晶混合物中的每一个晶粒都可以看作是单晶。本文阐述了多相体系研究中的关键技术挑战，并通过高压多相X射线衍射法的成功应用实例，论证了该方法的独特能力。

关键词： 高压     同步辐射X射线     多晶     金刚石对顶压砧     矿物学     岩石学     地球内部    

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Removal of Zn

Feng XUE, Beicheng XIA, Rongrong YING, Shili SHEN, Peng ZHAO

《环境科学与工程前沿（英文）》 2013年 第7卷 第4期   页码 531-538 doi: 10.1007/s11783-013-0506-3

摘要： Biosorption of Zn from aqueous solutions by biomass of was investigated. The removal rates of Zn by under different parameters (e.g., solution pH, bio-sorbent dosage and initial Zn concentration) were studied. The inhibition of ’s biosorption by anionic ligands EDTA (Ethylene Diamine Tetraacetic Acid), acetate and citrate) implied that EDTA and citrate might be used as eluting reagents. Regular and simultaneous solution pH change and light metal ions release after biosorption indicated that an ion exchange mechanism was involved. From FT-IR (Fourier Transform Infrared) spectroscopy, the main functional groups participated in biosorption were found. Biosorption of Zn by could be well described by the Freundlich and Langmuir models. In conclusion, the biomass of showed high potential for the treatment of wastewater containing Zn .

关键词： biosorption     Agaricus bisporus     zinc     ion exchange     FT-IR     isotherms    

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analysis of soil failure on defective underground pipe due to cyclic water supply and drainage using X-ray

Toshifumi MUKUNOKI, Naoko KUMANO, Jun OTANI

《结构与土木工程前沿（英文）》 2012年 第6卷 第2期   页码 85-100 doi: 10.1007/s11709-012-0159-5

摘要： The ground subsidence on the underground pipe often is caused with the reduction of the effective stress and the loss of suction in the base course and then, soil drainage into the pipe. The final formation of the cavity growth in the ground was observed as the ground subsidence. Authors focused this problem and hence performed model tests with water-inflow and drainage cycle in the model ground. The mechanism of cavity generation in the model ground was observed using an X-ray Computed Tomography (CT) scanner. In those studies, water was supplied into the model grounds from the defected underground pipe model in case of the change of relative density and grain size distribution. As results, it was observed that the loosening area was generated from the defected part with water-inflow and some of the soil particles in the ground were drained into the underground pipe through the defected part. And afterward, the cavity was generated just above the defected part of the model pipe in the ground. Based on this observation, it might be said that the bulk density of soil around the defected pipe played one of key factor to generate the cavity in the ground. Moreover, the dimension of the defected part should be related to the magnification of the ground subsidence, in particular, crack width on a sewerage pipe and particle size would be the quantitative factor to evaluate the magnification of the ground subsidence. ?In this paper, it was concluded that the low relative density of soil would become the critical factor to cause the fatal failure of model ground if the maximum grain size was close to the dimension of crack width of defective part. The fatal collapse of the ground with high relative density more than 80% would be avoided in a few cycles of water inflow and soil drainage.

关键词： relative density     grain property     model test     road subsidence     underground pipe     image processing     X-ray CT    

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标题 作者 时间 类型 操作

Establishing two-stage interaction between fly ash and NaOH by X-ray and infrared analyses

Bhagwanjee JHA,Nevin KOSHY,Devendra Narain SINGH

期刊论文

β-Nickel hydroxide cathode material for nano-suspension redox flow batteries

Yue LI, Cheng HE, Elena V. TIMOFEEVA, Yujia DING, Javier PARRONDO, Carlo SEGRE, Vijay RAMANI

期刊论文

Adsorption of fluoride on clay minerals and their mechanisms using X-ray photoelectron spectroscopy

Junyi DU, Daishe WU, Huayun XIAO, Ping LI

期刊论文

采用白光X射线源和模拟阵列能量色散阵列探测器的高通量粉末衍射技术

汪晓平, 董伟伟, 张鹏, 唐浩琪, 张澜庭, 杨铁莹, 刘鹏, 汪洪, 项晓东

期刊论文

Application and mechanism of polysaccharide extracted from Enteromorpha to remove nano-ZnO and humic acid in coagulation process

Jianzhang Sun, Baoyu Gao, Yuanxia Luo, Moxi Xue, Xing Xu, Qinyan Yue, Yan Wang

期刊论文

Real time monitoring of bioreactor mAb IgG3 cell culture process dynamics via Fourier transform infraredspectroscopy: Implications for enabling cell culture process analytical technology?

Huiquan Wu, Erik Read, Maury White, Brittany Chavez, Kurt Brorson, Cyrus Agarabi, Mansoor Khan

期刊论文

Design of efficient Pt-based electrocatalysts through characterization by X-ray absorption spectroscopy

Nebojsa S. MARINKOVIC, Kotaro SASAKI, Radoslav R. ADZIC

期刊论文

A combined experimental and theoretical study of micronized coal reburning

Hai ZHANG, Jiaxun LIU, Jun SHEN, Xiumin JIANG

期刊论文

natural magnetite and siderite: Evidence from sorption kinetics, sequential extraction and extended X-rayabsorption fine-structure spectroscopy analysis

期刊论文

A study on quality evaluation for bituminous mixture using X-ray CT

Satoshi TANIGUCHI, Keiichiro OGAWA, Jun OTANI, Itaru NISHIZAKI

期刊论文

Thermogravimetric coupled with Fourier transform infrared analysis study on thermal treatment of monopotassium

Yuheng FENG, Xuguang JIANG, Yong CHI, Xiaodong LI, Hongmei ZHU

期刊论文

Error analysis of the parameters for non-coaxial grazing X-ray microscope

ZHAO Lingling, HU Jiasheng, LI Xiang

期刊论文

高压多晶X射线衍射方法的发展及其在地球深部研究中的应用

张莉, 苑洪胜, 孟悦, 毛河光

期刊论文

Removal of Zn

Feng XUE, Beicheng XIA, Rongrong YING, Shili SHEN, Peng ZHAO

期刊论文

analysis of soil failure on defective underground pipe due to cyclic water supply and drainage using X-ray

Toshifumi MUKUNOKI, Naoko KUMANO, Jun OTANI

期刊论文