ChemEngineering最新文献

{"title":"An Integrated Approach to the Hydrothermal Carbonization of Sewage Sludge: Simulation, Modeling, and Life Cycle Assessment","authors":"Riccardo Bacci di Capaci, A. Tasca, R. Gori, S. Vitolo, M. Puccini, G. Pannocchia","doi":"10.3390/chemengineering7030044","DOIUrl":"https://doi.org/10.3390/chemengineering7030044","url":null,"abstract":"Sewage sludge management at wastewater treatment plants is becoming a more and more challenging task. Here, an innovative integrated modeling approach is developed to investigate the optimization of a municipal wastewater treatment plant (MWWTP) by the inclusion of hydrothermal carbonization (HTC). To this aim, two alternative plant layouts have been considered: (i) a conventional activated sludge-based treatment plant, i.e., based on thickening, stabilization, conditioning, and dewatering; (ii) additional hydrothermal carbonization and integrated treatment of the spent liquor in the sludge line. An Italian MWWTP has been selected as a case study, and three different scenarios have been implemented in the process simulation software World Wide Engine for Simulation Training and Automation (WEST) by considering the effect of the different digestion times in the aerobic reactor. Then, according to the Design of Experiment (DoE) methodology applied both on simulated and experimental data, and by the use of a Python code, the desired models have been developed and compared. Finally, a Life Cycle Assessment (LCA) study has been carried out to estimate the impacts on human health, ecosystems, and resources. The integration of HTC corresponds to the generation of a valuable product (the hydrochar), whereas the conventional layout is associated with high disposal costs of the sewage sludge. According to LCA results, a sludge age of 40 days is recommended due to the lowest impacts estimated, both with and without a HTC section. This has been ascribed mainly to the electricity demand of the sludge line, which increases with the excess sludge flow rate, i.e., as the sludge age decreases.","PeriodicalId":9755,"journal":{"name":"ChemEngineering","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2023-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41931009","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhancement of Photocatalytic Activity and Microstructural Growth of Cobalt-Substituted Ba1−xCoxTiO3 {x = 0, …, 1} Heterostructure","authors":"Sana Jebali, M. Meftah, C. Mejri, A. Ben Haj Amara, W. Oueslati","doi":"10.3390/chemengineering7030043","DOIUrl":"https://doi.org/10.3390/chemengineering7030043","url":null,"abstract":"The photocatalytic degradation process and absorption kinetics of the aqueous solution of the Cibacron Brilliant Yellow 3G-P dye (Y) were investigated under UV-Vis light. Pure barium titanate BaTiO3 (BT) and cobalt ion-substituted barium Ba1−xCoxTiO3 (x = 0, …, 1) nano-compound powders (BCT) were synthesized using the sol–gel method and colloidal solution destabilization, and utilized as photocatalysts. The powder X-ray diffraction (PXRD) crystal structure analysis of the BT nanoparticles (NPs) revealed a prominent reflection corresponding to the perovskite structure. However, impurities and secondary phase distributions were qualitatively identified in the PXRD patterns for x ≥ 0.2 of cobalt substitution rate. Rietveld refinements of the PXRD data showed that the BCT nano-compound series undergoes a transition from perovskite structure to isomorphous ilmenite-type rhombohedral CoTiO3 (CT) ceramic. The nanoparticles produced displayed robust chemical interactions, according to a Fourier transform infrared spectroscopy (FTIR) analysis. The BT and BCT nanoparticles had secondary hexagonal phases that matched the PXRD results and small aggregated, more spherically shaped particles with sizes ranging from 30 to 114 nm, according to transmission electron microscopy (TEM). Following a thorough evaluation of BCT nano-compounds with (x = 0.6), energy-dispersive X-ray (EDX) compositional elemental analysis revealed random distributions of cobalt ions. Through optical analysis of the photoluminescence spectra (PL), the electronic structure, charge carriers, defects, and energy transfer mechanisms of the compounds were examined. Due to the cobalt ions being present in the BT lattice, the UV-visible absorption spectra of BCT showed a little red-shift in the absorption curves when compared to pure BT samples. The electrical and optical characteristics of materials, such as their photon absorption coefficient, can be gathered from their UV-visible spectra. The photocatalytic reaction is brought about by the electron–hole pairs produced by this absorption. The estimated band gap energies of the examined compounds, which are in the range of 3.79 to 2.89 eV, are intriguing and require more investigation into their potential as UV photocatalysts. These nano-ceramics might be able to handle issues with pollution and impurities, such as the breakdown of organic contaminants and the production of hydrogen from water.","PeriodicalId":9755,"journal":{"name":"ChemEngineering","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2023-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44886985","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A Machine Learning-Based Study of Li+ and Na+ Metal Complexation with Phosphoryl-Containing Ligands for the Selective Extraction of Li+ from Brine","authors":"N. Kireeva, V. Baulin, A. Tsivadze","doi":"10.3390/chemengineering7030041","DOIUrl":"https://doi.org/10.3390/chemengineering7030041","url":null,"abstract":"The growth of technologies concerned with the high demand in lithium (Li) sources dictates the need for technological solutions garnering Li supplies to preserve the sustainability of the processes. The aim of this study was to use a machine learning-based search for phosphoryl-containing podandic ligands, potentially selective for lithium extraction from brine. Based on the experimental data available on the stability constant values of phosphoryl-containing organic ligands with Li+ and Na+ cations at 4:1 THF:CHCl3, candidate di-podandic ligands were proposed, for which the stability constant values (logK) with Li+ and Na+ as well as the corresponding selectivity values were evaluated using machine learning methods (ML). The modelling showed a reasonable predictive performance with the following statistical parameters: the determination coefficient R2= 0.75, 0.87 and 0.83 and root-mean-square error RMSE = 0.485, 0.449 and 0.32 were obtained for the prediction of the stability constant values with Li+ and Na+ cations and Li+/Na+ selectivity values, respectively. This ML-based analysis was complemented by the preliminary estimation of the host–guest complementarity of metal–ligand 1:1 complexes using the HostDesigner software.","PeriodicalId":9755,"journal":{"name":"ChemEngineering","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2023-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43462077","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Lignin Valorization for Added-Value Chemicals: Kraft Lignin versus Lignin Fractions","authors":"Carina A. E. Costa, Filipa M. Casimiro, Carlos A. Vega-Aguilar, A. Rodrigues","doi":"10.3390/chemengineering7030042","DOIUrl":"https://doi.org/10.3390/chemengineering7030042","url":null,"abstract":"Lignin is a raw material that can potentially be converted into valuable compounds through depolymerization reactions in addition to its use as a polymer or material. However, the chemical recalcitrance and the heterogeneous composition and structure of lignin make it challenging to establish processes that add value to this complex aromatic biopolymer. In this work, solvent fractionation was applied to obtain lignin fractions with a narrowed molecular weight and specific structural characteristics, improving its homogeneity and purity. A kraft lignin was submitted to fractionation using different ratios of acetone, ranging from 60 to 15% v/v, in aqueous mixtures. The composition, structure, and molecular weight of each fraction were studied and their potential applications were evaluated. The most water-soluble fraction has more phenolic OH, less aliphatic OH groups, and shows the lowest content of aryl-ether linkages, which is in accordance with its highest degree of condensation. On the other hand, the insoluble fraction from the mixture with 60% of acetone has the lowest molecular weight and the highest content of inorganic material. Radar plots were applied for lignin fractions evaluation and the fraction with the highest potential (IF 30:70) was submitted to alkaline oxidation with O2. The results were compared with the products yielded from kraft lignin. An increase of about 13 and 19% was found for vanillin and syringaldehyde, respectively, when the fraction IF 30:70 was submitted to oxidation. In conclusion, the proposed fractionation process showed to be an effective method to obtain lignin fractions with specific composition and structural characteristics that could improve its potential as a source of high added-value monomeric phenolic compounds.","PeriodicalId":9755,"journal":{"name":"ChemEngineering","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2023-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42298396","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Quantitative Analysis of Separated Impurities inside Filter Cakes with Phantom-Aided X-ray Tomography","authors":"Judith Miriam Friebel, Diana Neuber, Thomas Buchwald, Ralf Ditscherlein, U. Peuker","doi":"10.3390/chemengineering7030040","DOIUrl":"https://doi.org/10.3390/chemengineering7030040","url":null,"abstract":"This study presents a new approach in the quantification of the deposited amount of impurity inside a filter cake made up of filter aid material. For this purpose, three-dimensional imaging by X-ray tomography is applied. Based on the X-ray attenuation properties, a model system consisting of kieselguhr as filter aid and barium sulphate as impurity is chosen. Due to the impurity particle size being smaller than the spatial resolution of the measuring setup, a calibration approach is necessary to gain insight into subvoxel information. A so-called phantom of similar material composition is prepared. The grey values are linearly correlated with the impurity volume fraction resulting in a calibration function, which facilitates the calculation of impurity volume fraction based on grey values measured inside the filter cake. First results are presented, showing that the approach delivers valid results for the chosen material system and reveals unexpected characteristics of the filter cake structure. Challenges in the context of the phantom approach and their influence on the obtained results are discussed.","PeriodicalId":9755,"journal":{"name":"ChemEngineering","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2023-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46338715","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Kinetic Study of Acid Hydrolysis of the Glucose Obtained from Banana Plant","authors":"Mónica Abril-González, Angélica Vele-Salto, V. Pinos-Vélez","doi":"10.3390/chemengineering7020039","DOIUrl":"https://doi.org/10.3390/chemengineering7020039","url":null,"abstract":"The biomass of crops in rotation, such as that generated by the banana plant, is an interesting source of lignocellulose due to its composition and availability. This research aimed to compare the amount of glucose obtained from different parts of the banana plant (leaves, rachis, and pseudostem) by hydrolysis with sulfuric acid at 100 °C. This reaction was analyzed to determine the amount of water and reagents consumed versus the glucose obtained. The optimal time and acid concentration were studied between 0–30 min and 3–5% v/v, respectively. The best results were obtained with the pseudostem of 13.02 gL−1 of glucose in a reaction time of 20 min and an acid concentration of 5%. In addition, the kinetic study of hydrolysis was carried out. The adjustment to the Saeman model was R2 0.96, which represents a first-order reaction and kinetic constants K1 = 0.5 and K2 = 0.3 min−1. This study has shown that these residues can be used as raw materials to generate value-added products due to their high glucose content.","PeriodicalId":9755,"journal":{"name":"ChemEngineering","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2023-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48607622","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis and Characteristics of Composite Material with a Plant-Based Filler","authors":"N. Cherkashina, Z. Pavlenko, D. S. Matveenko, S. Domarev, Dar’ya Vasil’yevna Pushkarskaya, Dar’ya Aleksandrovna Ryzhikh","doi":"10.3390/chemengineering7020038","DOIUrl":"https://doi.org/10.3390/chemengineering7020038","url":null,"abstract":"The article presents the results of synthesis of polymeric composite material based on epoxy binder and plant-based filler. Pre-dried and powdered wheat straw was used as a plant-based filler. The wheat straw content in the composite varied from 10 to 50 wt.%. Thermal, mechanical, and surface properties of composites depending on the wheat straw content were researched. In addition, the samples were studied for resistance to corrosive environments. The hydrophobic–hydrophilic surface balance of composites was evaluated, and their free surface energy was studied. Introduction of wheat straw in small amounts (up to 30 wt.%) increases bending strength of polymer from 18.65 ± 1.12 MPa to 22.61 ± 0.91 MPa; when the content is more than 40 wt.%, reduction of strength is observed. Even with a wheat straw powder content of 50 wt.%, the bending strength is 11.52 ± 1.03 MPa, which corresponds to the strength of the construction material. The upper limit of working temperature for the epoxy binder is 306 °C, and for the composite with the wheat straw content of 30 wt.%—264 °C. The surface of the pure polymer shows a hydrophilic character. The average value of the water wetting contact angle of the pure epoxy sample is 84.96 ± 9.03°. The introduction of 30 wt.% of wheat straw powder filler transforms the surface into hydrophobic one (average value of water wetting contact angle is 96.69 ± 5.71°). The developed composites can be applied in furniture production including tabletops or panels for floors. Future research will focus on expanding the types of plant-based fillers for polymer composites.","PeriodicalId":9755,"journal":{"name":"ChemEngineering","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2023-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41990736","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"One-Step Crystallization of Gahnite Glass-Ceramics in a Wide Thermal Gradient","authors":"G. Shakhgildyan, R. O. Alekseev, N. Golubev, Vitaliy I. Savinkov, A. S. Naumov, Natalia N. Presnyakova, V. Sigaev","doi":"10.3390/chemengineering7020037","DOIUrl":"https://doi.org/10.3390/chemengineering7020037","url":null,"abstract":"The glass crystallization regime plays a crucial role in the fabrication of glass ceramics: it affects both phase composition and microstructure, and thus the properties of the final product. In the search for new glass-ceramic materials, the development of a proper heat-treatment schedule involves the utilization of numerous glass samples that need to be thermally treated and then investigated to determine the values of the target characteristics. In this study, we evaluated the effect of crystallization temperature on the glass structure, phase composition, and hardness of glass ceramics in the ZnO-MgO-Al2O3-SiO2 system containing TiO2 and ZrO2 as nucleators. To maximize the number of heat treatments, we performed polythermal crystallization of the glass in a wide temperature range with the help of a gradient furnace. Using X-ray diffraction, Raman spectroscopy, and transmission electron microscopy, we showed the precipitation of gahnite nanocrystals as the main phase in the bulk of a single glass sample and observed a gradual change in its microstructure, transparency, and hardness. The dependence of Vickers hardness values on heat treatment temperature was found to follow a non-linear trend, revealing the optimal thermal range for glass crystallization.","PeriodicalId":9755,"journal":{"name":"ChemEngineering","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2023-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47868256","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effect of Rigid Xanthan Gums (RXGs) on Flow and Pressure Drops to Improve Drag Reduction Rates in Horizontal Pipe Flow","authors":"B. J. Kadhim, Omar S. Mahdy, Sajda S. Alsaedi, H. Majdi, Z. Shnain, Asawer A. Alwaiti, A. AbdulRazak","doi":"10.3390/chemengineering7020036","DOIUrl":"https://doi.org/10.3390/chemengineering7020036","url":null,"abstract":"Drag reduction in turbulent flow may be significantly reduced by adding tiny quantities of fiber, polymer, and surfactant particles to the liquid. Different drag-reduction agents have proven to be effective in enhancing the flowability of the liquid when added. This study investigated the potential of decreasing the drag, turbulent flow, and pressure drop in horizontal pipe flow by using a mixture of modified xanthan gums (XGs). Xanthan gums are an environmentally friendly natural polymer complex. They can be extracted from xanthan gum plants and utilized to formulate different concentrations of complexes. The flowability of the xanthan gum was experimentally investigated in a 1-m-long pipe by using addition concentrations of 300 to 950 ppm, an inner diameter of 0.254 inches, and four different flow rates. The results revealed that the pressure drop was reduced considerably with an increase in the concentration of the additives. The mixture (xanthan gums plus water) resulted a favorable reduction in the pressure, which reached 65% at a concentration of 950 ppm. The results of the computational fluid dynamic simulation using the COMSOL simulator showed a change in the fluid velocity profiles, which became more parabolic. This occurred because of an increase in the mean fluid velocity due to the addition of the drag-reducing polymers.","PeriodicalId":9755,"journal":{"name":"ChemEngineering","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2023-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45096267","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Green Fractionation Approaches for the Integrated Upgrade of Corn Cobs","authors":"João Fialho, Patrícia Moniz, L. C. Duarte, F. Carvalheiro","doi":"10.3390/chemengineering7020035","DOIUrl":"https://doi.org/10.3390/chemengineering7020035","url":null,"abstract":"Corn cob is an abundant agricultural residue worldwide, with high potential and interesting composition, and its valorization still needs to be studied. Selectively fractionating its structural components (hemicellulose, cellulose, and lignin), value-added products can be produced, eliminating waste. In this work, integrated fractionation approaches were developed and evaluated. First, an organosolv process was optimized (ethanol:water, 50:50, w/w). Then, as a comparative method, alkaline delignification (using NaOH, 1–2%) was also studied. The organosolv process allowed a significant delignification of the material (79% delignification yield) and, at the same time, a liquid phase containing a relevant concentration (14.6 g/L) of xylooligosaccharides (XOS). The resulting solid fraction, rich in cellulose, showed an enzymatic digestibility of 90%. The alkaline process increased the delignification yield to 94%, producing a solid fraction with a cellulose enzymatic digestibility of 83%. The two later techniques were also used in a combined strategy of hydrothermal processing (autohydrolysis) followed by delignification. The first allowed the selective hydrolysis of hemicellulose to produce XOS-rich hydrolysates (26.8 g/L, 67.3 g/100 g initial xylan). The further delignification processes, alkaline or organosolv, led to global delignification yields of 76% and 93%, respectively. The solid residue, enriched in glucan (above 75% for both combined processes), also presented high enzymatic saccharification yields, 89% and 90%, respectively. The fractionation strategies proposed, and the results obtained are very promising, enabling the integrated upgrading of this material into a biorefinery framework.","PeriodicalId":9755,"journal":{"name":"ChemEngineering","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2023-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47558330","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}