Collinshart8844

With the trend of portable and miniaturization, Raman spectrometer requires more advanced analytical methods providing more rapid and accurate analysis performance for in-situ analysis. In this work, a hybrid variable selection method based on V-WSP and variable importance measurement (VIM) coupled with random forest (RF) was used to improve the quantitative analysis performance of portable laser Raman instruments for quantitative analysis of methanol content in methanol gasoline. First, five preprocessing methods were applied to reduce the infection information in the raw spectra, respectively. Based on the spectra data processed by multivariate scattering correction (MSC), V-WSP was employed to filter the infection or redundant information in Raman spectroscopy, and 579 variables were obtained when the correlation threshold is 0.9600. Then, the variables were further eliminated by VIM. Finally, 43 variables were obtained by the V-WSP-VIM method. In data processing, out of bag (OOB) error estimation and 10-flod cross validation (CV) were applied to optimize the parameters of preprocessing methods, V-WSP, VIM and RF model. The results fully demonstrated that compared with the RF model based on raw spectra, the RF model based on V-WSP-VIM method can achieve a better prediction performance for the quantitative analysis of methanol content in methanol-gasoline, with the coefficients of determination of cross-validation (R2CV) improving from 0.9100 to 0.9662, the root mean square error of cross-validation (RMSECV) reducing from 0.0572 to 0.0365%, the coefficients of determination of prediction set (R2P) improving from 0.9214 to 0.9407, the root mean square error of prediction set (RMSEP) reducing from 0.0420 to 0.0382%, the variables reducing from 1044 to 43 and the modeling time reducing from 72.94 to 6.41 s. The results indicates that V-WSP-VIM coupled with RF is an effective method to improve the performance of portable laser Raman spectrometer for quantitative analysis of methanol content in methanol gasoline.This work aims to understand the origin of the electronic spectra of Fe3+ (d5), Cr3+ (d3), and V3+ (d2) containing jarosites. The electronic spectrum of the Fe-jarosite is currently assigned to spin forbidden transitions. This work shows that the spectra essentially arise due to the tetragonal distortion of the coordination symmetry of the Fe3+ ion in the jarosite crystal, and thereby obviates the need for invoking spin forbidden transitions. The absorption spectra of Cr- and V-jarosite are also assigned to transitions predicted for the tetragonal distortion of the metal ion coordination. The electronic term symbols are worked out using the correlation diagram and Tanabe-Sugano diagram for orbital splitting for all three systems employing ab initio and DFT methods. The bandgaps were computed and corroborated with the experimentally measured values to support the low symmetry at the metal center.Perovskites with flexible texture structures and excellent catalytic properties have attracted considerable attention in peroxymonosulfate (PMS) activation for addressing organic contaminants in water. In this study, the role of copper to promote PMS activation performance of LaMnO3 was investigated. 100% sulfamethoxazole (SMX) degradation and 34% mineralization were achieved over copper doped LaMnO3 while only 60% SMX was removed without TOC removal by LaMnO3. Especially, compared with LaMnO3, the pseudo-first-order reaction rate constant was increased by 8.30 times when the atomic ratio of Cu/Mn was 13. It proved that only 1O2 was generated in LaMnO3 while 1O2, especially •OH and SO4•- were all detected in Cu-LaMnO3/PMS system. The characterization results showed that Cu induced the formation of LaMnO3 and La2CuO4 heterostructure with enhanced content of relatively low-valence Mn and Cu and abundant oxygen vacancies (OVs). Hence, the efficient PMS activation by Cu-LaMnO3 was due to regulating the produced reactive oxygen species (ROS). A radical dominant instead of 1O2 involved PMS activation mechanism over LaMnO3-La2CuO4 was proposed for efficient degradation of SMX. Finally, the possible degradation pathways of SMX were discussed based on HPLC-MS analysis. This study provided a new insight of improving the catalytic activity of perovskites in PMS activation in water treatment.In a lab-scale anaerobic baffled reactor (ABR) with eight compartments, the heterotrophic and sulfur autotrophic processes were combined to remove perchlorate. And then, the step-feeding distribution ratio of the heterotrophic perchlorate reduction unit (HPR unit) was optimized to achieve efficient removal of high concentration perchlorate. Under the optimized step-feeding distribution ratio, the perchlorate removal efficiency reached to 99.8% with the influent concentration of 1300 mg/L, indicating that the removal performance of step-feeding was better than that of normal-feeding. A mass balance results showed that the perchlorate removal capacity of the C1-C5 compartments were 11.8 ± 0.6, 13.2 ± 0.2, 11.7 ± 1.0, 8.8 ± 0.2 and 9.8 ± 1.0 g/d during the stage VIII, indicating that the step-feeding can effectively relieve pollutant loading of C1 compartment and improve the perchlorate removal capacity of the C2-C5 compartments. Selleck Oxidopamine Moreover, the high-throughput sequencing analysis showed that bacterial community was significant difference between the HPR and sulfur autotrophic perchlorate removal (SAPR) units. Principal component analysis (PCA) showed that perchlorate removal was more positive correlation with the forward compartments than the posterior compartments of HPR unit. The study confirms that the optimized step-feeding ratio is beneficial to remove the high concentration perchlorate via combining heterotrophic and sulfur autotrophic processes.Although phosphate (PO43-) may play a decisive role in enriching toxic arsenic (As) in the groundwater of many Asian deltas, knowledge gaps exist regarding its interactions with As. This study investigates the simultaneous immobilisation of PO43- and As in aquifer sediments at a redox transition zone in the Red River Delta of Vietnam. The majority of PO43- and As was found to be structurally bound in layers of Fe(III)-(oxyhydr)oxide precipitates, indicating that their formation represents a dominant immobilisation mechanism. This immobilisation was also closely linked to sorption. In the surface sorbed sediment pools, the molar ratios of total P to As were one order of magnitude higher than found in groundwater, reflecting a preferential sorption of PO43- over As. However, this competitive sorption was largely dependent on the presence of Fe(III)-(oxyhydr)oxides. Ongoing contact of the aquifer sediments with iron-reducing groundwater resulted in the reductive dissolution of weakly crystalline Fe(III)-(oxyhydr)oxides, which was accompanied by decreased competition for sorption sites between PO43- and As.