Near infrared spectrometer technology under a wavelength range of 918-1045 nm was used to rapidly detect paddy rice that was stored at 5℃, 15℃ and 25℃. A total of 121 paddy rice samples were collected from artifici...Near infrared spectrometer technology under a wavelength range of 918-1045 nm was used to rapidly detect paddy rice that was stored at 5℃, 15℃ and 25℃. A total of 121 paddy rice samples were collected from artificial infection with moulds to build the calibration models to calculate the total number colony of moulds based on the principal component regression method and multiple linear regression method. The results of statistical analysis indicated that multiple linear regression method was applicable to the detection of the total number colony of moulds. The correlation of calibration data set was 0.943. The correlation of prediction data set was 0.897. Therefore, the result showed that near infrared spectroscopy could be a useful instrumental method for determining the total number colony of moulds in paddy rice. The near infrared spectroscopy methodology could be applied for monitoring mould contamination in postharvest paddy rice during storage and might become a powerful tool for monitoring the safety of the grain.展开更多
The prickly pear fruit helps in combating viral based infections.It is used to treat diabetes and declared to possess hypoglycemic effects.There is also record of the usage of the fruit in the olden days as a remedy f...The prickly pear fruit helps in combating viral based infections.It is used to treat diabetes and declared to possess hypoglycemic effects.There is also record of the usage of the fruit in the olden days as a remedy for diabetes,lipid disorders,inflammation,ulcers,and pharmacologic side effects.The chemical composition and nutritional values of skin,flesh and seed of prickly pear fruit were investigated and discussed on a dry weight situation.The infrared spectra as well as scanning electron microscopy(SEM)techniques were used to identify the functional groups of carbohydrates,amino acids,and protein.The infrared spectral data of all three(skin,flesh,and seeds)species were recorded and assigned to the presence of distinguish peaks that referred to the three different sugars(glucose,fructose and saccharose)and cyclic aliphatic hydrocarbons moieties.On the other hand,the SEM is a powerful tool to investigate the morphological features of the components.SEM assays were examined on the surfaces of skin,flesh and seed branches showing a small particle that tends to form clusters with different shapes compared to each other.The Energy-dispersive X-ray spectroscopy(EDX)is an analytical technique used for the elemental analysis or chemical characterization of a sample.The EDX spectral technique of the skin,flesh and seeds were confirmed the presence of different essential and useful elements such as carbon,oxygen,magnesium,calcium,potassium,sulfur,aluminum,silicon,chloride,and phosphorus.展开更多
Identification of plant-pathogenic fungi is time-consuming due to cultivation and microscopic examination and can be influenced by the interpretation of the micro-morphological characters observed.The present investig...Identification of plant-pathogenic fungi is time-consuming due to cultivation and microscopic examination and can be influenced by the interpretation of the micro-morphological characters observed.The present investigation aimed to create a simple but sophisticated method for the identification of plant-pathogenic fungi by Fourier transform infrared(FTIR)spectroscopy.In this study,FTIR-attenuated total reflectance(ATR)spectroscopy was used in combination with chemometric analysis for identification of important pathogenic fungi of horticultural plants.Mixtures of mycelia and spores from 27fungal strains belonging to nine different families were collected from liquid PD or solid PDA media cultures and subjected to FTIR-ATR spectroscopy measurements.The FTIR-ATR spectra ranging from 4 000to 400cm-1 were obtained.To classify the FTIRATR spectra,cluster analysis was compared with canonical vitiate analysis(CVA)in the spectral regions of3 050~2 800and 1 800~900cm-1.Results showed that the identification accuracies achieved 97.53%and99.18%for the cluster analysis and CVA analysis,respectively,demonstrating the high potential of this technique for fungal strain identification.展开更多
A series of soy protein isolate(SPI)films plasticized by glycerol(Gly)were studied using attenuated total reflectance-Fourier transform infrared spectroscopy(ATR/FTIR).Perturbation-correlation movingwindow two-dimensi...A series of soy protein isolate(SPI)films plasticized by glycerol(Gly)were studied using attenuated total reflectance-Fourier transform infrared spectroscopy(ATR/FTIR).Perturbation-correlation movingwindow two-dimensional(PCMW2D)and two-dimensional correlation(2DCOS)analyses were applied to the amideⅠband and thus the hydrogen bond interaction between SPI and Gly was systematically investigated.When Gly concentrations were in the range 0~35%,the hydrogen bond amongβ-sheets was replaced by the one between SPI chain and Gly molecule,which caused these protein chains being changed toα-helix.However,the transformation ofβ-sheet toα-helix was saturated and both of them tend to change to random coil when Gly concentrations were in the range 35%~60%.展开更多
In sub nanometer carbon nanotubes,water exhibits unique dynamic characteristics,and in the high-frequency region of the infrared spectrum,where the stretching vibrations of the internal oxygen-hydrogen(O-H)bonds are c...In sub nanometer carbon nanotubes,water exhibits unique dynamic characteristics,and in the high-frequency region of the infrared spectrum,where the stretching vibrations of the internal oxygen-hydrogen(O-H)bonds are closely related to the hydrogen bonds(H-bonds)network between water molecules.Therefore,it is crucial to analyze the relationship between these two aspects.In this paper,the infrared spectrum and motion characteristics of the stretching vibrations of the O-H bonds in one-dimensional confined water(1DCW)and bulk water(BW)in(6,6)single-walled carbon nanotubes(SWNT)are studied by molecular dynamics simulations.The results show that the stretching vibrations of the two O-H bonds in 1DCW exhibit different frequencies in the infrared spectrum,while the O-H bonds in BW display two identical main frequency peaks.Further analysis using the spring oscillator model reveals that the difference in the stretching amplitude of the O-H bonds is the main factor causing the change in vibration frequency,where an increase in stretching amplitude leads to a decrease in spring stiffness and,consequently,a lower vibration frequency.A more in-depth study found that the interaction of H-bonds between water molecules is the fundamental cause of the increased stretching amplitude and decreased vibration frequency of the O-H bonds.Finally,by analyzing the motion trajectory of the H atoms,the dynamic differences between 1DCW and BW are clearly revealed.These findings provide a new perspective for understanding the behavior of water molecules at the nanoscale and are of significant importance in advancing the development of infrared spectroscopy detection technology.展开更多
This review paper reports near-infrared(NIR)imaging studies using a newly-developed NIR camera,Compovision.Compovision can measure a significantly wide area of 150mm×250mm at high speed of between 2and 5s.It enab...This review paper reports near-infrared(NIR)imaging studies using a newly-developed NIR camera,Compovision.Compovision can measure a significantly wide area of 150mm×250mm at high speed of between 2and 5s.It enables a wide spectral region measurement in the 1 000~2 350nm range at 6nm intervals.We investigated the potential of Compovision in the applications to industrial problems such as the evaluation of pharmaceutical tablets and polymers.Our studies have demonstrated that NIR imaging based on Compovision can solve several issues such as long acquisition times and relatively low sensitivity of detection.NIR imaging with Compovision is strongly expected to be applied not only to pharmaceutical tablet monitoring and polymer characterization but also to various applications such as those to food products,biomedical substances and organic and inorganic materials.展开更多
Background:The majority of attenuated total reflection Fourier transform infrared(ATR FT-IR)investigations of cotton are focused on the fiber tissue for biological mechanisms and understanding of fiber development and...Background:The majority of attenuated total reflection Fourier transform infrared(ATR FT-IR)investigations of cotton are focused on the fiber tissue for biological mechanisms and understanding of fiber development and maturity,but rarely on other cotton biomass comp on ents.This work examined in detail the ATR FT-IR spectral features of various cott on tissues/organs at reproductive and maturation stages,an a lyzed and discussed their biological implications.Results:The ATR FT-IR spectra of these tissues/organs were an a lyzed and compared with the focus on the lower wavenumber fingerprinting range.Six outstanding FT-IR bands at 1730,1620,1525,1235,1050 and 895 cm^(-1) represented the major C=O stretching,protein Amide I,Amide II,the O-H/N-H deformation,the total C-O-C stretching and the β-glycosidic linkage in celluloses,respectively,and impacted differently between these organs with the two growth stages.Furthermore,the band intensity at 1620,1525,1235,and 1050 cm^(-1) were exclusively and significantly correlated to the levels of protein(Amide I bond),protein(Amide II bond),cellulose,and hemicellulose,respectively,whereas the band at 1730 cm^(-1) was negatively correlated with ash content.Conclusions:The resulting observations indicated the capability of ATR FT-IR spectroscopy for monitoring changes,transportation,and accumulation of the major chemical components in these tissues over the cotton growth period.In other words,this spectral technology could be an effective tool for physiological,biochemical,and morphological research related to cotton biology and development.展开更多
Background Fiber maturity is a key cotton quality property,and its variability in a sample impacts fiber processing and dyeing performance.Currently,the maturity is determined by using established protocols in laborat...Background Fiber maturity is a key cotton quality property,and its variability in a sample impacts fiber processing and dyeing performance.Currently,the maturity is determined by using established protocols in laboratories under a controlled environment.There is an increasing need to measure fiber maturity using low-cost(in general less than $20000)and small portable systems.In this study,a laboratory feasibility was performed to assess the ability of the shortwave infrared hyperspectral imaging(SWIR HSI)technique for determining the conditioned fiber maturity,and as a comparison,a bench-top commercial and expensive(in general greater than $60000)near infrared(NIR)instrument was used.Results Although SWIR HSI and NIR represent different measurement technologies,consistent spectral characteristics were observed between the two instruments when they were used to measure the maturity of the locule fiber samples in seed cotton and of the well-defined fiber samples,respectively.Partial least squares(PLS)models were established using different spectral preprocessing parameters to predict fiber maturity.The high prediction precision was observed by a lower root mean square error of prediction(RMSEP)(<0.046),higher R_(p)^(2)(>0.518),and greater percentage(97.0%)of samples within the 95% agreement range in the entire NIR region(1000-2500 nm)without the moisture band at 1940 nm.Conclusion SWIR HSI has a good potential for assessing cotton fiber maturity in a laboratory environment.展开更多
This feature article illustrates the potential of polarization modulation infrared reflection absorption spectroscopy(PM IRRAS)to provide molecular-level information about the structure,orientation and conformation of...This feature article illustrates the potential of polarization modulation infrared reflection absorption spectroscopy(PM IRRAS)to provide molecular-level information about the structure,orientation and conformation of constituents of thin films at electrode surfaces.PM IRRAS relies on the surface selection rules stating that the p-polarized IR beam is enhanced,while the s-polarized beam is attenuated at the metal surface.The difference between p-and s-polarized beams eliminates the background of the solvent and provides IR spectra at a single electrode potential.In contrast,two other popular in situ IR spectroscopic techniques,namely,subtractively normalized interfacial Fourier transform infrared spectroscopy(SNIFTIRS)and surface-enhanced infrared reflection absorption spectroscopy(SEIRAS),provide potential difference spectra to remove the signal from the bulk solution.In this feature article,we provide a brief tutorial on how to run the PM IRRAS experiment and describe the methods used for background elimination first.The application of the PM IRRAS in the biomimetic research is then illustrated by three examples:construction of a tethered bilayer,reconstitution of colicin into a phospholipid bilayer and determination of the orientation of nucleolipids in a monolayer assembled at a gold electrode surface.Finally,the structural changes of graphene oxide during its electrochemical reduction are described to highlight the promising application of PM IRRAS in materials science.展开更多
The effects of B2O3 addition on both the sintering behavior and microwave dielectric properties of CaO-B2O3-SiO2 （CBS） glass ceramics were investigated by Fourier transform infrared spectroscopy （FTIR）, X-ray diff...The effects of B2O3 addition on both the sintering behavior and microwave dielectric properties of CaO-B2O3-SiO2 （CBS） glass ceramics were investigated by Fourier transform infrared spectroscopy （FTIR）, X-ray diffractometry （XRD） and scanning electron microscopy （SEM）. The results show that the increasing amount of B203 causes the increase of the contents of [BO3], [BO4] and [SiO4], which deduces the increase of CaB204 and a-SiO2 and the decrease of CaSiO3 correspondingly. No new phase is observed throughout the entire experiments. A bulk density of 2.54 g/cm3, a thermal expansion coefficient value of 11.95× 10-6 ℃-1 （20-500℃）, a dielectric constant er value of 6.42 and a dielectric loss tanδ value of 0.000 9 （measured at 9.7 GHz） are obtained for CBS glass ceramics containing 35%-B203 （mass fraction） sintered at 850 ℃ for 15 min.展开更多
The selective catalytic reduction reaction belongs to the gas-solid multiphase reaction, and the adsorption of NH3 and NO on CuO/γ-Al2O3 catalysts plays an important role in the reaction. Performance of the CuO/γ-Al...The selective catalytic reduction reaction belongs to the gas-solid multiphase reaction, and the adsorption of NH3 and NO on CuO/γ-Al2O3 catalysts plays an important role in the reaction. Performance of the CuO/γ-Al2O3 catalysts was explored in a fixed bed adsorption system. The catalysts maintain nearly 100% NO conversion efficiency at 350℃. Comprehensive tests were carried out to study the adsorption behavior of NH3 and NO over the catalysts. The desorption experiments prove that NH3 and NO are adsorbed on CuO/γ-Al2O3 catalysts. The adsorption behaviors of NH3 and NO were also studied with the in-situ diffusion reflectance infrared Fourier transform spectroscopy methods. The results show that NH3 could be strongly adsorbed on the catalysts, resulting in coordinated NH3 and NH4＋. NO adsorption leads to the formation of bridging bidentate nitrate, chelating bidentate nitrate, and chelating nitro. The interaction of NH3 and NO molecules with the Cu2＋ present on the CAl2O3 （100） surface was investigated by using a periodic density functional theory. The results show that the adsorption of all the molecules on the Cu2＋ site is energetically favorable, whereas NO bound is stronger than that of NH3 with the adsorption site, and key information about the structural and energetic properties was also addressed.展开更多
基金Supported by the National 12th Five-year Plan for Science&Technology Support Fund(2012BAK08B04-02)the Heilongjiang Science and Technology Plan(GC12B404)
文摘Near infrared spectrometer technology under a wavelength range of 918-1045 nm was used to rapidly detect paddy rice that was stored at 5℃, 15℃ and 25℃. A total of 121 paddy rice samples were collected from artificial infection with moulds to build the calibration models to calculate the total number colony of moulds based on the principal component regression method and multiple linear regression method. The results of statistical analysis indicated that multiple linear regression method was applicable to the detection of the total number colony of moulds. The correlation of calibration data set was 0.943. The correlation of prediction data set was 0.897. Therefore, the result showed that near infrared spectroscopy could be a useful instrumental method for determining the total number colony of moulds in paddy rice. The near infrared spectroscopy methodology could be applied for monitoring mould contamination in postharvest paddy rice during storage and might become a powerful tool for monitoring the safety of the grain.
基金Taif University Researches Supporting Project number(TURSP-2020/01),Taif University,Taif,Saudi Arabia。
文摘The prickly pear fruit helps in combating viral based infections.It is used to treat diabetes and declared to possess hypoglycemic effects.There is also record of the usage of the fruit in the olden days as a remedy for diabetes,lipid disorders,inflammation,ulcers,and pharmacologic side effects.The chemical composition and nutritional values of skin,flesh and seed of prickly pear fruit were investigated and discussed on a dry weight situation.The infrared spectra as well as scanning electron microscopy(SEM)techniques were used to identify the functional groups of carbohydrates,amino acids,and protein.The infrared spectral data of all three(skin,flesh,and seeds)species were recorded and assigned to the presence of distinguish peaks that referred to the three different sugars(glucose,fructose and saccharose)and cyclic aliphatic hydrocarbons moieties.On the other hand,the SEM is a powerful tool to investigate the morphological features of the components.SEM assays were examined on the surfaces of skin,flesh and seed branches showing a small particle that tends to form clusters with different shapes compared to each other.The Energy-dispersive X-ray spectroscopy(EDX)is an analytical technique used for the elemental analysis or chemical characterization of a sample.The EDX spectral technique of the skin,flesh and seeds were confirmed the presence of different essential and useful elements such as carbon,oxygen,magnesium,calcium,potassium,sulfur,aluminum,silicon,chloride,and phosphorus.
基金the National Natural Science Foundation of China(31201473)the Science and Technology Innovation Program of the Chinese Academy of Agricultural Sciences(CAAS-ASTIP-IVFCAAS)funded by the Key Laboratory of Biology and Genetic Improvement of Horticultural Crops,Ministry of Agriculture,P.R.China
文摘Identification of plant-pathogenic fungi is time-consuming due to cultivation and microscopic examination and can be influenced by the interpretation of the micro-morphological characters observed.The present investigation aimed to create a simple but sophisticated method for the identification of plant-pathogenic fungi by Fourier transform infrared(FTIR)spectroscopy.In this study,FTIR-attenuated total reflectance(ATR)spectroscopy was used in combination with chemometric analysis for identification of important pathogenic fungi of horticultural plants.Mixtures of mycelia and spores from 27fungal strains belonging to nine different families were collected from liquid PD or solid PDA media cultures and subjected to FTIR-ATR spectroscopy measurements.The FTIR-ATR spectra ranging from 4 000to 400cm-1 were obtained.To classify the FTIRATR spectra,cluster analysis was compared with canonical vitiate analysis(CVA)in the spectral regions of3 050~2 800and 1 800~900cm-1.Results showed that the identification accuracies achieved 97.53%and99.18%for the cluster analysis and CVA analysis,respectively,demonstrating the high potential of this technique for fungal strain identification.
文摘A series of soy protein isolate(SPI)films plasticized by glycerol(Gly)were studied using attenuated total reflectance-Fourier transform infrared spectroscopy(ATR/FTIR).Perturbation-correlation movingwindow two-dimensional(PCMW2D)and two-dimensional correlation(2DCOS)analyses were applied to the amideⅠband and thus the hydrogen bond interaction between SPI and Gly was systematically investigated.When Gly concentrations were in the range 0~35%,the hydrogen bond amongβ-sheets was replaced by the one between SPI chain and Gly molecule,which caused these protein chains being changed toα-helix.However,the transformation ofβ-sheet toα-helix was saturated and both of them tend to change to random coil when Gly concentrations were in the range 35%~60%.
基金Supported by the Natural Science Foundation of China(51705326,52075339)。
文摘In sub nanometer carbon nanotubes,water exhibits unique dynamic characteristics,and in the high-frequency region of the infrared spectrum,where the stretching vibrations of the internal oxygen-hydrogen(O-H)bonds are closely related to the hydrogen bonds(H-bonds)network between water molecules.Therefore,it is crucial to analyze the relationship between these two aspects.In this paper,the infrared spectrum and motion characteristics of the stretching vibrations of the O-H bonds in one-dimensional confined water(1DCW)and bulk water(BW)in(6,6)single-walled carbon nanotubes(SWNT)are studied by molecular dynamics simulations.The results show that the stretching vibrations of the two O-H bonds in 1DCW exhibit different frequencies in the infrared spectrum,while the O-H bonds in BW display two identical main frequency peaks.Further analysis using the spring oscillator model reveals that the difference in the stretching amplitude of the O-H bonds is the main factor causing the change in vibration frequency,where an increase in stretching amplitude leads to a decrease in spring stiffness and,consequently,a lower vibration frequency.A more in-depth study found that the interaction of H-bonds between water molecules is the fundamental cause of the increased stretching amplitude and decreased vibration frequency of the O-H bonds.Finally,by analyzing the motion trajectory of the H atoms,the dynamic differences between 1DCW and BW are clearly revealed.These findings provide a new perspective for understanding the behavior of water molecules at the nanoscale and are of significant importance in advancing the development of infrared spectroscopy detection technology.
文摘This review paper reports near-infrared(NIR)imaging studies using a newly-developed NIR camera,Compovision.Compovision can measure a significantly wide area of 150mm×250mm at high speed of between 2and 5s.It enables a wide spectral region measurement in the 1 000~2 350nm range at 6nm intervals.We investigated the potential of Compovision in the applications to industrial problems such as the evaluation of pharmaceutical tablets and polymers.Our studies have demonstrated that NIR imaging based on Compovision can solve several issues such as long acquisition times and relatively low sensitivity of detection.NIR imaging with Compovision is strongly expected to be applied not only to pharmaceutical tablet monitoring and polymer characterization but also to various applications such as those to food products,biomedical substances and organic and inorganic materials.
基金supported in part by the U.S. Department of Agriculture, Agricultural Research Service
文摘Background:The majority of attenuated total reflection Fourier transform infrared(ATR FT-IR)investigations of cotton are focused on the fiber tissue for biological mechanisms and understanding of fiber development and maturity,but rarely on other cotton biomass comp on ents.This work examined in detail the ATR FT-IR spectral features of various cott on tissues/organs at reproductive and maturation stages,an a lyzed and discussed their biological implications.Results:The ATR FT-IR spectra of these tissues/organs were an a lyzed and compared with the focus on the lower wavenumber fingerprinting range.Six outstanding FT-IR bands at 1730,1620,1525,1235,1050 and 895 cm^(-1) represented the major C=O stretching,protein Amide I,Amide II,the O-H/N-H deformation,the total C-O-C stretching and the β-glycosidic linkage in celluloses,respectively,and impacted differently between these organs with the two growth stages.Furthermore,the band intensity at 1620,1525,1235,and 1050 cm^(-1) were exclusively and significantly correlated to the levels of protein(Amide I bond),protein(Amide II bond),cellulose,and hemicellulose,respectively,whereas the band at 1730 cm^(-1) was negatively correlated with ash content.Conclusions:The resulting observations indicated the capability of ATR FT-IR spectroscopy for monitoring changes,transportation,and accumulation of the major chemical components in these tissues over the cotton growth period.In other words,this spectral technology could be an effective tool for physiological,biochemical,and morphological research related to cotton biology and development.
基金supported partially by the USDA-ARS Research Project#6054-44000-080-00D.
文摘Background Fiber maturity is a key cotton quality property,and its variability in a sample impacts fiber processing and dyeing performance.Currently,the maturity is determined by using established protocols in laboratories under a controlled environment.There is an increasing need to measure fiber maturity using low-cost(in general less than $20000)and small portable systems.In this study,a laboratory feasibility was performed to assess the ability of the shortwave infrared hyperspectral imaging(SWIR HSI)technique for determining the conditioned fiber maturity,and as a comparison,a bench-top commercial and expensive(in general greater than $60000)near infrared(NIR)instrument was used.Results Although SWIR HSI and NIR represent different measurement technologies,consistent spectral characteristics were observed between the two instruments when they were used to measure the maturity of the locule fiber samples in seed cotton and of the well-defined fiber samples,respectively.Partial least squares(PLS)models were established using different spectral preprocessing parameters to predict fiber maturity.The high prediction precision was observed by a lower root mean square error of prediction(RMSEP)(<0.046),higher R_(p)^(2)(>0.518),and greater percentage(97.0%)of samples within the 95% agreement range in the entire NIR region(1000-2500 nm)without the moisture band at 1940 nm.Conclusion SWIR HSI has a good potential for assessing cotton fiber maturity in a laboratory environment.
基金This research was funded by Discovery Grants from the Natural Sciences and Engineering Research Council of Canada(JL:RGPIN-2022-03958AC:RGPIN-2022-04238).
文摘This feature article illustrates the potential of polarization modulation infrared reflection absorption spectroscopy(PM IRRAS)to provide molecular-level information about the structure,orientation and conformation of constituents of thin films at electrode surfaces.PM IRRAS relies on the surface selection rules stating that the p-polarized IR beam is enhanced,while the s-polarized beam is attenuated at the metal surface.The difference between p-and s-polarized beams eliminates the background of the solvent and provides IR spectra at a single electrode potential.In contrast,two other popular in situ IR spectroscopic techniques,namely,subtractively normalized interfacial Fourier transform infrared spectroscopy(SNIFTIRS)and surface-enhanced infrared reflection absorption spectroscopy(SEIRAS),provide potential difference spectra to remove the signal from the bulk solution.In this feature article,we provide a brief tutorial on how to run the PM IRRAS experiment and describe the methods used for background elimination first.The application of the PM IRRAS in the biomimetic research is then illustrated by three examples:construction of a tethered bilayer,reconstitution of colicin into a phospholipid bilayer and determination of the orientation of nucleolipids in a monolayer assembled at a gold electrode surface.Finally,the structural changes of graphene oxide during its electrochemical reduction are described to highlight the promising application of PM IRRAS in materials science.
基金Project(2007AA03Z0455) supported by the National High-Technology Research and Development Program of ChinaProject(BE2009168) supported by the Natural Science Foundation of Jiangsu Province in ChinaProject supported by the Priority Academic Program Development of Jiangsu Higher Education Institution,China
文摘The effects of B2O3 addition on both the sintering behavior and microwave dielectric properties of CaO-B2O3-SiO2 （CBS） glass ceramics were investigated by Fourier transform infrared spectroscopy （FTIR）, X-ray diffractometry （XRD） and scanning electron microscopy （SEM）. The results show that the increasing amount of B203 causes the increase of the contents of [BO3], [BO4] and [SiO4], which deduces the increase of CaB204 and a-SiO2 and the decrease of CaSiO3 correspondingly. No new phase is observed throughout the entire experiments. A bulk density of 2.54 g/cm3, a thermal expansion coefficient value of 11.95× 10-6 ℃-1 （20-500℃）, a dielectric constant er value of 6.42 and a dielectric loss tanδ value of 0.000 9 （measured at 9.7 GHz） are obtained for CBS glass ceramics containing 35%-B203 （mass fraction） sintered at 850 ℃ for 15 min.
基金Projects(50806025, 51021065, 50976038) supported by the National Natural Science Foundation of ChinaProject(20100480893) supported by the China Postdoctoral Science FoundationProject(1001022B) supported by the Postdoctoral Research Fund of Jiangsu Province, China
文摘The selective catalytic reduction reaction belongs to the gas-solid multiphase reaction, and the adsorption of NH3 and NO on CuO/γ-Al2O3 catalysts plays an important role in the reaction. Performance of the CuO/γ-Al2O3 catalysts was explored in a fixed bed adsorption system. The catalysts maintain nearly 100% NO conversion efficiency at 350℃. Comprehensive tests were carried out to study the adsorption behavior of NH3 and NO over the catalysts. The desorption experiments prove that NH3 and NO are adsorbed on CuO/γ-Al2O3 catalysts. The adsorption behaviors of NH3 and NO were also studied with the in-situ diffusion reflectance infrared Fourier transform spectroscopy methods. The results show that NH3 could be strongly adsorbed on the catalysts, resulting in coordinated NH3 and NH4＋. NO adsorption leads to the formation of bridging bidentate nitrate, chelating bidentate nitrate, and chelating nitro. The interaction of NH3 and NO molecules with the Cu2＋ present on the CAl2O3 （100） surface was investigated by using a periodic density functional theory. The results show that the adsorption of all the molecules on the Cu2＋ site is energetically favorable, whereas NO bound is stronger than that of NH3 with the adsorption site, and key information about the structural and energetic properties was also addressed.
