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

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(TGFTIR).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_(2) were distinguished in the pyrolysis process,while CO_(2) was the dominant combustion product.

Equidistant combination wavelength screening and step-by-step phase-out method for the near-infrared spectroscopic analysis of serum urea nitrogen

We applied near-infrared(NIR)spectroscopy with chemometrics for the rapid and reagent-fee analysis of serum urea nitrogen(SUN).The modeling is based on the average effect of multiple sample partitions to achieve parameter selection with stability.A multiparameter optimization platform with Norris derivative filter-partial least squares(Norris-PLS)was developed to select the most suitable mode(d=2,s=33,g=15).Using equidistant combination PLS(EC-PLS)with four parameters(initial wavelength I,number of wavelengths N,number of wavelength gaps G and latent variables LV),we performed wavelength screening after eliminating high-absorption wavebands.The optimal EC-PLS parameters were I=1228 nm,N=26,G=16 and LV=12.The root-mean square error(SEP),correlation coefficient(R_(p))for prediction and ratio of performance-to-deviation(RPD)for validation were 1.03 mmol L^(-1),0.992 and 7.6,respectively.We proposed the wavelength step-by-step phase-out PLS(WSP-PLS)to remove redun-dant wavelengths in the top 100 EC-PLS models with improved prediction performance.The combination of 19 wavelengths was identifed as the optimal model for SUN.The SEP,Rp and RPD in validation were 1.01 mmol L^(-1),0.992 and 7.7,respectively.The prediction effect and wavelength complexity were better than those of EC-PIS.Our results showed that NIR spectroscopy combined with the EC-PLS and WSP-PLS methods enabled the high-precision analysis ofSUN.WSP-PLS is a secondary optimization method that can further optimize any wavelength moc odel obtained through other continuous or discrete strategies to establish a simple and better model.

Moving-window bis-correlation coefficients method for visible and near-infrared spectral discriminant analysis with applications

The moving window bis corelation coefficients(MW BiCC)was proposed and employed for the discriminant analysis of transgenic sugarcane leaves and B-thalassemia with visible and near-infrared(Vis NIR)spectroscopy.The well-performed moving window principal component analysis linear discriminant analysis(MWPCA-LDA)was also conducted for comparison.A total of 306 transgenic(positive)and 150 nont ransgenic(negative)leave samples of sugarcane were collected and divided to calibration,prediction,and validation.The diffuse reflection spectra were corected using Savitzky-Golay(SG)smoothing with first-order derivative(d=1),third-degree polynomial(p=3)and 25 smpothing points(m=25).The selected waveband was 736-1054nm with MW-BiCC,and the positive and negative validation recognition rates(V_REC^(+),VREC^(-))were 100%,98.0%,which achieved the same effect as MWPCA-LDA.Another example,the 93 B-thalassemia(positive)and 148 nonthalassemia(negative)of human hemolytic samples were colloctod.The transmission spectra were corrected using SG smoothing withd=1,p=3 and m=53.Using M W-BiCC,many best wavebands were selected(e.g.,1116-1146,17941848 and 22842342nm).The V_REC^(+)and V_REC^(-)were both 100%,which achieved the same effect as MW-PCA-LDA.Importantly,the BICC only required ca lculating correlation cofficients between the spectrum of prediction sample and the average spectra of two types of calibration samples.Thus,BiCC was very simple in algorithm,and expected to obtain more applications.The results first confirmed the feasibility of distinguishing B-thalassemia and normal control samples by NIR spectroscopy,and provided a promising simple tool for large population thalassemia screening.

Coconut Fiber Pyrolysis: Bio-Oil Characterization for Potential Application as an Alternative Energy Source and Production of Bio-Degradable Plastics

The current energy crisis could be alleviated by enhancing energy generation using the abundant biomass waste resources. Agricultural and forest wastes are the leading organic waste streams that can be transformed into useful alternative energy resources. Pyrolysis is one of the technologies for converting biomass into more valuable products, such as bio-oil, bio-char, and syngas. This work investigated the production of bio-oil through batch pyrolysis technology. A fixed bed pyrolyzer was designed and fabricated for bio-oil production. The major components of the system include a fixed bed reactor, a condenser, and a bio-oil collector. The reactor was heated using a cylindrical biomass external heater. The pyrolysis process was carried out in a reactor at a pressure of 1atm and a varying operating temperature of 150˚C, 250˚C, 350˚C to 450˚C for 120 minutes. The mass of 1kg of coconut fiber was used with particle sizes between 2.36 mm - 4.75 mm. The results show that the higher the temperature, the more volume of bio-oil produced, with the highest yield being 39.2%, at 450˚C with a heating rate of 10˚C/min. The Fourier transformation Infrared (FTIR) Spectroscopy analysis was used to analyze the bio-oil components. The obtained bio-oil has a pH of 2.4, a density of 1019.385 kg/m3, and a calorific value of 17.5 MJ/kg. The analysis also showed the presence of high-oxygenated compounds;carboxylic acids, phenols, alcohols, and branched oxygenated hydrocarbons as the main compounds present in the bio-oil. The results inferred that the liquid product could be bestowed as an alternative resource for polycarbonate material production.

Infrared Spectroscopy Study of Structural Nature of Geopolymeric Products

The bonding status and chemical environment of SiO4 and AlO4 tetrahedras of three types of geopolymeric products were systematically investigated by infrared spectroscopy. The relationship between amorphous geopolymeric products and zeolite crystals with the same overall chemical compositions was also discussed. The infrared evidence shows that SiO4 tetrahedra is partially bonded by AlO4 during the hydration process of geopolymeric cement. The two types of tetrahedras jointly construct the three dimensional framework structures of the geopolymeric products. The mutual transformation between geopolymeric products and corresponding zeolite crystals will take place once the reaction condition is suitable, which reveals that the nature ofgeopolymeric products are probably the amorphous equivalent of the corresponding zeolite crystals.

Characteristic wavelength selection of volatile organic compounds infrared spectra based on improved interval partial least squares

As important components of air pollutant,volatile organic compounds(VOCs)can cause great harm to environment and human body.The concentration change of VOCs should be focused on in real-time environment monitoring system.In order to solve the problem of wavelength redundancy in full spectrum partial least squares(PLS)modeling for VOCs concentration analysis,a new method based on improved interval PLS(iPLS)integrated with Monte-Carlo sampling,called iPLS-MC method,was proposed to select optimal characteristic wavelengths of VOCs spectra.This method uses iPLS modeling to preselect the characteristic wavebands of the spectra and generates random wavelength combinations from the selected wavebands by Monte-Carlo sampling.The wavelength combination with the best prediction result in regression model is selected as the characteristic wavelengths of the spectrum.Different wavelength selection methods were built,respectively,on Fourier transform infrared(FTIR)spectra of ethylene and ethanol gas at different concentrations obtained in the laboratory.When the interval number of iPLS model is set to 30 and the Monte-Carlo sampling runs 1000 times,the characteristic wavelengths selected by iPLS-MC method can reduce from 8916 to 10,which occupies only 0.22%of the full spectrum wavelengths.While the RMSECV and correlation coefficient(Rc)for ethylene are 0.2977 and 0.9999 ppm,and those for ethanol gas are 0.2977 ppm and 0.9999.The experimental results show that the iPLS-MC method can select the optimal characteristic wavelengths of VOCs FTIR spectra stably and effectively,and the prediction performance of the regression model can be significantly improved and simplified by using characteristic wavelengths.

Influence of Different Medium Aging on Advanced Composite T300/5405

The aging properties of advanced composite T300/5405 which soaked in 15# hydraulic oil, 4010 lubricating oil, RP-3 kerosene and AHC-1 cleaner were studied. The absorption and mechanical properties of the composites were measured, and the scanning electron microscopy （SEIVO, dynamic mechanical analysis （DMA） and the infrared analysis （IR） were used to investigate the properties＇ changes of the composite. The aging mechanism of composite T300/5405 was also discussed. The experimental results show that the absorption of the composite in AHC-1 was the biggest, and the other three mediums had little effect on the composites. The mechanical properties declined in the aging. The composites have undergone chemical change in the test; Tg rose or declined atter the aging, and the AHC-1 cleaner and 4010 lubricating oil had the greatest influence on the Tg.

Post-annealing effect on the structural and mechanical properties of multiphase zirconia films deposited by a plasma focus device

Nanostructured multiphase zirconia films （MZFs） are deposited on Zr substrate by the irradiation of energetic oxygen ions emanated from a plasma focus device. The oxygen operating gas pressure of 1 mbar （1 bar=105 Pa） provides the most appropriate ion energy flux to deposit crystalline ZrO2 films. X-ray diffraction （XRD） patterns reveal the formation of polycrystalline ZrO2 films. The crystallite size （CS）, crystal growth, and dislocation densities are attributed to increasing focus shots, sample axial distances, and working gas pressures. Phase and orientation transformations from t-ZrO2 to m-ZrO2 and c-ZrO2 are associated with increasing focus shots and continuous annealing. For lower （200 ℃） annealing temperature （AT）, full width at half maximum （FWHM） of diffraction peak, CS, and dislocation density （δ） for （020） plane are found to be 0.494, 16.6 nm, and 3.63×10-3 nm-2 while for higher （400 ℃） AT, these parameters for （111） plane are found to be 0.388, 20.87 nm, and 2.29×10-3 nm-2, respectively. Scanning electron microscope （SEM） results demonstrate the formation of rounded grains with uniform distribution. The estimated values of atomic ratio （O/Zr） in ZrO2 films deposited for different axial distances （6 cm, 9 cm, and 12 cm） are found to be 2.1, 2.2, and 2.3, respectively. Fourier transform infrared （FTIR） analysis reveals that the bands appearing at 441 cm-1 and 480 cm-1 belong to m-ZrO2 and t-ZrO2 phases, respectively. Maximum microhardness （8.65±0.45 GPa） of ZrO2 film is ～ 6.7 times higher than the microhardness of virgin Zr.

Theoretical Study on the Photodegradation Mechanism of Pyrethroid Insecticide Fenvalerate in Water

The photodegradation mechanism of fenvalerate in water has been investigated by density functional theory（DFT）.The geometries of reactants,transition states,intermediates and products are optimized at the B3LYP/6-31G＊ level.The calculated results indicate that the reaction process mainly includes the nucleophilic attack and the substitution reaction by hydroxyl radical to the carbonyl group.By vibrational frequency analysis and intrinsic reaction coordinate（IRC） method,the transition state and its reaction pathway are confirmed.Moreover,the changes of natural population analysis（NPA）,calculated using the Natural bond orbital（NBO） method,are analyzed along with the degradation reaction which can explain the variation of chemical bonds.Additionally,the solvent effect is also investigated and the results show that the reaction preferably takes place in water.

Estimation of lunar FeO abundance based on imaging by LRO Diviner

Understanding the abundance and distribution characteristics of FeO on the surface of the Moon is important for investigating its evolution. The current high resolution maps of the global FeO abundance are mostly produced with visible and near infrared reflectance spectra. The Christiansen Feature （CF） in mid-infrared has strong sensitivity to lunar minerals and correlates to major elements composing minerals. This paper investigates the possibility of mapping global FeO abundance using the CF values from the Diviner Lunar Radiometer Experiment aboard the Lunar Reconnaissance Orbiter （LRO） mission. A high correlation between the CF values and FeO abundances from the Apollo samples was found. Based on this high correlation, a new global map （±60°） of FeO was produced using the CF map. The results show that the global FeO average is 8.2 wt.%, the highland average is 4.7 wt.%, the global modal abundance is 5.4 wt.% and the lunar mare mode is 15.7 wt.%. These results are close to those derived from data provided by Clementine, the Lunar Prospector Gamma Ray Spectrometer （LP-GRS） and the Chang＇e-1 Interference Imaging Spectrometer （IIM）, demonstrating the feasibility of estimating FeO abundance based on the Diviner CF data. The near global FeO abundance map shows an enrichment of lunar major elements.

Sintering characteristics, crystal structure and dielectric properties of cobalt-tungsten doped molybdate-based ceramics at microwave frequency

In this study,a sequence of Ce_(2)[Zr_(1-x)(Co_(1/2)W_(1/2))_(x)]_(3)(MoO_(4))_(9)(CZ_(1-x)(CW)_(x)M)(x=0.02e0.10)ceramics with excellent microwave dielectric properties were obtained by the traditional solid-phase method.The crystal structure,dielectric properties,and chemical bond characters of the ceramics were characterized and analyzed.X-ray diffraction and Rietveld refinement analysis show that CZ_(1-x)(CW)_(x)M could form a single-phase of the triangular crystal system in the entire doping range.The microstructure of the ceramic samples was obtained by scanning electron microscopy.The sintering temperature was reduced and the gain of the sample was refined as the increase of doping ion content.Furthermore,the intrinsic factors affecting the properties of CZ_(1-x)(CW)_(x)M were analyzed by employing P-V-L theory and through in-depth infrared analysis.When x was 0.04 and the sintering temperature was 750C,the best dielectric properties of the samples were achieved,includingεr=9.95,Q·f=80,803 GHz(at 9.99 GHz),and tf=-9.10 ppm/℃.

Physical,Thermal and Partial Discharge Evaluation of Nano Alumina Filled Silicone Rubber in an Inclined Plane Test

Silicone rubber(SiR)composite material is a modern-day insulator for high voltage outdoor applications.The imperfection attributed to SiR is its weak resistance to tracking and erosion when exposed to an outdoor polluted environment which reduces its operational lifetime.This paper investigates the performance of SiR with the addition of 0,1,2.5,5,10 and 20%by weight contents of nano alumina(Al_(2)O_(3)).Inclined plane tests are performed according to IEC 60587 using the step up tracking voltage method with an initial voltage of 3.0 kV and the contaminant solution flow rate is maintained at 0.3 ml/min using a peristaltic pump.The applied voltage level is increased at a rate of 0.25 kV/h.Results suggest that physical tracking,erosion,RMS leakage current and surface partial discharge(PD)performance of samples is improved with the addition of nano alumina.The tracking length,eroded mass,RMS leakage current and average PD magnitude are measured 22%,79%,30%and 52%lesser in 20 wt%relative to 0 wt%,respectively.A thermal distribution analysis is undertaken with infrared camera and it is discovered that heat is accumulated in the discharge area of the liquid flow.The maximum temperature on the insulating specimen is decreased with increasing nanofiller contents.The above promising findings can be due to better thermal stability with low chain mobility at the interaction zone of SiR and alumina.Moreover,less liquid evaporation due to better thermal conduction and improved physical bonding between SiR and nano alumina are possible reasons behind the excellent performance of nanocomposites.