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关键词

小波变换 2

物元变换 2

CP）；符号间干扰（inter symbol interference， ISI）；载波间干扰（inter carrier interference 1

HHT 1

Hilbert变换 1

ICI）；最大似然估计（maximum likelihood estimation 1

MLE） 1

Mallat算法 1

Meyer小波变换 1

OFDM）；快速傅立叶变换（Fast Fourier transform， FFT）；循环前缀（cyclic prefix 1

Walsh循环谱 1

X射线自由电子激光 1

一氧化碳氧化 1

严格雪崩准则 1

中轴变换；包络；插值；蒙皮；圆 1

信号处理 1

傅立叶红外光谱 1

傅里叶变换 1

傅里叶变换红外成像 1

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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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Pyrolysis behaviors of oil sludge based on TG/FTIR and PY-GC/MS

Wei SONG, Jianguo LIU, Yongfeng NIE,

《环境科学与工程前沿（英文）》 2010年 第4卷 第1期   页码 59-64 doi: 10.1007/s11783-009-0152-y

摘要： Pyrolysis is an alternative technology for oil sludge treatment. Thermogravimetric Analysis-Fourier Transform Infrared Spectroscopy and Pyrolysis-Gas Chromatography/Mass Spectrometry were employed to investigate the pyrolysis process and products of oil sludge. The pyrolysis process was divided into five stages: drying and gas desorption, oil volatilization, main pyrolysis, semi-coke charring, and mineral decomposition. The main reaction temperatures ranged from 497.6 K to 753.2 K. The products were mainly composed of pairs of alkane and alkene (carbon number ranges from 1 to 27). The mechanisms consisted of random chain scission followed by end chain scission at high temperatures with volatilization occurring during the whole process. This study is useful not only for the proper design of a pyrolysis system, but also for improving the utilization of liquid oil products.

关键词： oil sludge     pyrolysis     Thermogravimetric Analysis-Fourier Transform Infrared Spectroscopy (TG-FTIR)     Pyrolysis-Gas Chromatography/Mass Spectrometry (PY-GC/MS)    

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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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使用傅里叶变换红外成像进行高通量筛选 Article

Erdem Sasmaz, Kathleen Mingle, Jochen Lauterbach

《工程（英文）》 2015年 第1卷 第2期   页码 234-242 doi: 10.15302/J-ENG-2015040

摘要： 在这些技术中，快速扫描傅里叶变换红外(FTIR) 成像是最快、最通用的筛选技术。本文介绍了16 通道高通量反应器的新设计，并给出了其准确性和重复性试验结果。

关键词： 高通量     傅里叶变换红外成像     筛选     氧化钴     一氧化碳氧化    

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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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碱处理对桉木纤维挤压结合机理的影响

彭万喜,林芝,李年存

《中国工程科学》 2014年 第16卷 第4期   页码 64-68

摘要：

采用桉木纤维为原料，探讨碱处理对板材挤压结合机理的影响。结果表明：碱处理对木质素、半纤维素都有不同程度的降解作用；在热压制板过程中，经过降解作用的木材成分经适当的热压工艺能够发生聚合反应从而粘合成板；强碱（NaOH）对桉木纤维的影响大于弱碱溶液（Na2CO3），且处理时间为10 h 较适宜；碱处理过程产生的活性羟基，热压后可以缔合形成氢键，增加了纤维之间的结合力，有利于桉木纤维自身粘合成板。

关键词： 桉木纤维     碱处理     傅立叶红外光谱     扫描电子显微镜（SEM）    

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Utilization of nano/micro-size iron recovered from the fine fraction of automobile shredder residue for phenol degradation in water

Jiwan SINGH, Yoon-Young CHANG, Jae-Kyu YANG, Seon-Hong KANG, Janardhan Reddy KODURU

《环境科学与工程前沿（英文）》 2016年 第10卷 第4期 doi: 10.1007/s11783-016-0848-8

摘要： Phenol removal by n/m Fe in the presence of H O was highly effective. Increasing the amounts of n/m Fe and H O ?increased the phenol removal rate. Phenol removal was decreased with an increase in the concentration of phenol. The natural pH (6.9) of the solution was highly effective for phenol removal. The pseudo-first-order kinetics was best fitted for the degradation of phenol. The study investigates the magnetic separation of Fe from automobile shredder residue (ASR) (<0.25 mm) and its application for phenol degradation in water. The magnetically separated Fe was subjected to an ultrasonically assisted acid treatment, and the degradation of phenol in an aqueous solution using nano/micro-size Fe (n/m Fe) was investigated in an effort to evaluate the possibility of utilizing n/m Fe to remove phenol from wastewater. The prepared n/m Fe was analyzed by scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FTIR). The effects of the dosages of n/mFe, pH, concentration of phenol and amount of H O on phenol removal were evaluated. The results confirm that the phenol degradation rate was improved with an increase in the dosages of n/mFe and H O ; however, the rate is reduced when the phenol concentration is higher. The degradation of phenol by n/mFe followed the pseudo-first-order kinetics. The value of the reaction rate constant ( was increased as the amounts of n/m Fe and H O increased. Conversely, the value of was reduced when the concentration of phenol was increased. The probable mechanism behind the degradation of phenol by n/m Fe is the oxidation of phenol through hydroxyl radicals which are produced during the reaction between H O and n/m Fe.

关键词： Automobile shredder residue (ASR)     Fe     Phenol     Scanning electron microscopy (SEM) and Fourier transform infrared spectroscopy (FTIR)     Mechanism    

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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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Predicting the elemental compositions of solid waste using ATR-FTIR and machine learning

《环境科学与工程前沿（英文）》 2023年 第17卷 第10期 doi: 10.1007/s11783-023-1721-1

摘要：

● A method based on ATR-FTIR and ML was developed to predict CHNS contents in waste.

关键词： Elemental composition     Infrared spectroscopy     Machine learning     Moisture interference     Solid waste     Spectral noise    

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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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Understanding the behavior of recycled aggregate concrete by using thermogravimetric analysis

Subhasis PRADHAN, Shailendra KUMAR, Sudhirkumar V. BARAI

《结构与土木工程前沿（英文）》 2020年 第14卷 第6期   页码 1561-1572 doi: 10.1007/s11709-020-0640-5

摘要： The physio-chemical changes in concrete mixes due to different coarse aggregate (natural coarse aggregate and recycled coarse aggregate (RCA)) and mix design methods (conventional method and Particle Packing Method (PPM)) are studied using thermogravimetric analysis of the hydrated cement paste. A method is proposed to estimate the degree of hydration ( ) from chemically bound water ( ). The PPM mix designed concrete mixes exhibit lower . Recycled aggregate concrete (RAC) mixes exhibit higher and after 7 d of curing, contrary to that after 28 and 90 d. The chemically bound water at infinite time ( ) of RAC mixes are lower than the respective conventional concrete mixes. The lower , Ca(OH) bound water, free Ca(OH) content and FT-IR analysis substantiate the use of pozzolanic cement in the parent concrete of RCA. The compressive strength of concrete and cannot be correlated for concrete mixes with different aggregate type and mix design method as the present study confirms that the degree of hydration is not the only parameter which governs the macro-mechanical properties of concrete. In this regard, further study on the influence of interfacial transition zone, voids content and aggregate quality on macro-mechanical properties of concrete is needed.

关键词： recycled aggregate concrete     Particle Packing Method     thermogravimetric analysis     chemically bound water     degree of hydration     Fourier transform infrared spectroscopy    

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Laboratory investigation of emulsified asphalt binder modified with wood-derived nano-cellulose and nano paper-cellulose

Yunge WEI; Jiayu WANG; Ruoyu LI; Ling XU; Feipeng XIAO

《结构与土木工程前沿（英文）》 2022年 第16卷 第11期   页码 1474-1485 doi: 10.1007/s11709-022-0869-2

摘要： Emulsified asphalt is the primary material for preventive maintenance and cold-mix paving, but its low cohesive strength and poor mechanical properties limit its wide application, even with polymer modification. In this study, Styrene-Butadiene Rubber (SBR) emulsified asphalt was modified with nano-cellulose materials, namely nano paper-cellulose (NPC) and wood-derived nano-cellulose (WDC), to improve its properties. A novel preparation method of nano-cellulose solution was developed, including blending, ultrasonic stirring, and centrifugal treatment. Four types of nano-cellulose solution (0.5% NPC, 0.5%, 1.0%, and 1.5% WDC by weight of water) were selected. The microscopy analysis indicated that 0.5% WDC emulsion had a smaller particle size than 1.5% WDC emulsion. The rheology test indicated that WDC modified residue improved rutting resistance with the increased solution dosage due to the cross-linking effect, but its creep-and-recovery performance was worse than that of SBR emulsion residue. The NPC modified binder had a higher rutting factor than WDC modified binder at the same dosage after short-term aging. In addition, 1.0% WDC could be regarded as the optimal dosage in terms of fatigue and low-temperature performance. Furthermore, Fourier Transform Infrared Spectroscopy (FTIR) results showed that 0.5% NPC modified residue performed better in long-term aging resistance compared with 0.5%WDC modified asphalt.

关键词： nano-cellulose     emulsified asphalt binder     dispersion     rheological properties     Fourier transform infrared spectroscopy    

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中国首个地基高分辨率傅里叶变换光谱观测站的大气成分长期观测研究 Article

刘诚, 孙友文, 单唱功, 王薇, Justus Notholt, Mathias Palm, 殷昊, 田园, 高吉熹, 毛慧琴

《工程（英文）》 2023年 第22卷 第3期   页码 201-214 doi: 10.1016/j.eng.2021.11.022

摘要：

长期观测主要大气成分的体积混合比（VMR）廓线和柱总量对掌握中国气候变化和碳收支具有重要意义。本文对我国首个全球碳总柱观测网（TCCON）高分辨率傅里叶变换光谱仪（FTS）地基观测站，即合肥观测站开展了系统性研究。该观测站可观测30多种大气成分的柱总量和VMR廓线。本文公布了2014年以来合肥观测站观测到的部分关键大气成分的时间序列，总结了迄今为止该站点取得的主要研究成果，包括光谱反演表征和归一化、关键大气成分的总体演变特征、排放估计、卫星和化学传输模式（CTM）校验以及对大气污染来源和传输的相关研究。同时，本文还对合肥观测站的观测、科学研究和未来研究计划进行了展望。中国明确提出2030年二氧化碳排放达到峰值，2060年实现碳中和。合肥观测站将为中国政府制定绿色经济政策、实现碳中和及《巴黎协定》目标提供科学支撑。

关键词： 遥感     傅里叶变换     大气污染     温室气体     气候变化    

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Identification of faults through wavelet transform vis-à-vis fast Fourier transform of noisy vibration

null

《机械工程前沿（英文）》 2014年 第9卷 第2期   页码 130-141 doi: 10.1007/s11465-014-0298-6

摘要：

Fault diagnosis of rolling element bearings requires efficient signal processing techniques. For this purpose, the performances of envelope detection with fast Fourier transform (FFT) and continuous wavelet transform (CWT) of vibration signals produced from a bearing with defects on inner race and rolling element, have been examined at low signal to noise ratio. Both simulated and experimental signals from identical bearings have been considered for the purpose of analysis. The bearings have been modeled as spring-mass-dashpot systems and the simulated signals have been obtained considering transfer functions for the bearing systems subjected to impulsive loads due to the defects. Frequency B spline wavelets have been applied for CWT and a discussion on wavelet selection has been presented for better effectiveness. Results show that use of CWT with the proposed wavelets overcomes the short coming of FFT while processing a noisy vibration signals for defect detection of bearings.

关键词： Fault detection     spline wavelet     continuous wavelet transform     fast Fourier transform    

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Factors influencing near infrared spectroscopy analysis of agro-products: a review

Xiao XU, Lijuan XIE, Yibin YING

《农业科学与工程前沿（英文）》 2019年 第6卷 第2期   页码 105-115 doi: 10.15302/J-FASE-2019255

摘要：

The near infrared (NIR) spectroscopy technique has wide applications in agriculture with the advantages of being nondestructive, sensitive, safe and rapid. However, there are still more than 40 error sources influencing the robustness and accuracy of its calibration and operation. Environmental, sample and instrument factors that influence the analysis are discussed in this review, including temperature, humidity and other factors that introduce uncertainty. Error sources from livestock products, fruit and vegetables, which are the most common objects in the field of NIR analysis, are also emphasized in the second part. In addition, studies utilizing different instruments, spectral pretreatments, variable selection methods, wavelength ranges, detection modes and calibration methods are tabulated to illustrate the complications they introduce and how they influence NIR analysis. It is suggested that large scale of data with abundant varieties can be used to build a more robust calibration model, in order to improve the robustness and accuracy of the NIR analytical model, and overcome problems caused by confining analysis to too many uniform samples.

关键词： agro-product     error source     influence factor     near infrared spectroscopy    

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标题 作者 时间 类型 操作

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

Pyrolysis behaviors of oil sludge based on TG/FTIR and PY-GC/MS

Wei SONG, Jianguo LIU, Yongfeng NIE,

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

使用傅里叶变换红外成像进行高通量筛选

Erdem Sasmaz, Kathleen Mingle, Jochen Lauterbach

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

碱处理对桉木纤维挤压结合机理的影响

彭万喜,林芝,李年存

期刊论文

Utilization of nano/micro-size iron recovered from the fine fraction of automobile shredder residue for phenol degradation in water

Jiwan SINGH, Yoon-Young CHANG, Jae-Kyu YANG, Seon-Hong KANG, Janardhan Reddy KODURU

期刊论文

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

Predicting the elemental compositions of solid waste using ATR-FTIR and machine learning

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

Understanding the behavior of recycled aggregate concrete by using thermogravimetric analysis

Subhasis PRADHAN, Shailendra KUMAR, Sudhirkumar V. BARAI

期刊论文

Laboratory investigation of emulsified asphalt binder modified with wood-derived nano-cellulose and nano paper-cellulose

Yunge WEI; Jiayu WANG; Ruoyu LI; Ling XU; Feipeng XIAO

期刊论文

中国首个地基高分辨率傅里叶变换光谱观测站的大气成分长期观测研究

刘诚, 孙友文, 单唱功, 王薇, Justus Notholt, Mathias Palm, 殷昊, 田园, 高吉熹, 毛慧琴

期刊论文

Identification of faults through wavelet transform vis-à-vis fast Fourier transform of noisy vibration

null

期刊论文

Factors influencing near infrared spectroscopy analysis of agro-products: a review

Xiao XU, Lijuan XIE, Yibin YING

期刊论文