Journal of Chemistry and Environment最新文献

{"title":"Sequencing Initial Conditions in Physics-Informed Neural Networks","authors":"S. Hooshyar, Arash Elahi","doi":"10.56946/jce.v3i1.345","DOIUrl":"https://doi.org/10.56946/jce.v3i1.345","url":null,"abstract":"The scientific machine learning (SciML) field has introduced a new class of models called physics-informed neural networks (PINNs). These models incorporate domain-specific knowledge as soft constraints on a loss function and use machine learning techniques to train the model. Although PINN models have shown promising results for simple problems, they are prone to failure when moderate level of complexities are added to the problems. We demonstrate that the existing baseline models, in particular PINN and evolutionary sampling (Evo), are unable to capture the solution to differential equations with convection, reaction, and diffusion operators when the imposed initial condition is non-trivial. We then propose a promising solution to address these types of failure modes. This approach involves coupling Curriculum learning with the baseline models, where the network first trains on PDEs with simple initial conditions and is progressively exposed to more complex initial conditions. Our results show that we can reduce the error by 1 – 2 orders of magnitude with our proposed method compared to regular PINN and Evo.","PeriodicalId":29792,"journal":{"name":"Journal of Chemistry and Environment","volume":"89 18","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140377835","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":"0D-3D Superstructure of Biocarbon with FeCl3-Assisted for Electrochemical Symmetrical Supercapacitor","authors":"Sri Ayunda, R. Farma, Aria Yunita, I. Apriyani","doi":"10.56946/jce.v3i1.298","DOIUrl":"https://doi.org/10.56946/jce.v3i1.298","url":null,"abstract":"Biomass materials exhibit a diversity of macrostructures that can be derived or developed into various 0D-3D nanoscale structural designs with various different dimensions such as spherical, nanofiber, tubular, nanosheet, hierarchical, nanosphere, and honeycomb structures, when converted into activated carbon. This research converts oil palm empty fruit bunch fiber biomass into supercapacitor carbon material by optimizing the chemical activation process by varying the activating reagent. The active carbon conversion process includes precarbonization stages, chemical activation (KOH, FeCl3, and ZnCl2), carbonization, and physical activation. The resulting electrode was confirmed to have a morphology with a 0D to 3D structure (nanosphere, nanofiber and nanopore) due to the FeCl3 activator, so the resulting surface area was high (517.998 m/g). Biomass was successfully converted into carbon which was confirmed through through the resulting physical and electrochemical properties. The electrochemical performance of the sample supercapacitor cell was analyzed in a symmetric two-electrode system in 1 M H2SO4 electrolyte solution. The FeCl3-activated samples shows the highest specific capacitance of 256 F/g at a scan rate of 1 mV/s. In addition, oil palm empty fruit bunch fiber biomass is a potential raw material, as a carbon material for supercapacitor cells with high performance.","PeriodicalId":29792,"journal":{"name":"Journal of Chemistry and Environment","volume":"181 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140235698","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":"Seasonal Variation of Fe, Mn, and Pb in Groundwater of Northwestern Bangladesh","authors":"Md. Zahidul Islam, Md.Golam Mostafa","doi":"10.56946/jce.v3i1.296","DOIUrl":"https://doi.org/10.56946/jce.v3i1.296","url":null,"abstract":"Groundwater is one of the most significant natural resources on earth and also stands as the largest source of all-purpose water in Bangladesh. The higher concentrations of iron (Fe), manganese (Mn), and lead (Pb) in water constitute a threat to human health and the environment. The research aimed to assess the seasonal variations of heavy metal concentrations, including Fe, Mn, and Pb, and the water type controlling the geochemistry of groundwater. A total of sixty groundwater samples were collected over a year in three seasons and analyzed for several physicochemical parameters using the standard analysis methods The highest concentrations of Fe, Mn, and Pb in investigated groundwater samples were found to be 3.69, 2.50, and 0.17 mg/L, respectively. The study observed that the higher concentrations of Fe and Mn were in the pre-monsoon but Pb was in the post-monsoon. The contaminations of Fe, Mn, and Pb in the groundwater follows the order Fe > Mn > Pb in three seasons, and their concentrations of abundance follow the seasons: PRM > POM > MON. The groundwater samples showed the dominance of Ca++, Mg++, and HCO3-, indicating temporary hardness and the Ca-Mg-HCO3, hydrochemical  facies, controlling the groundwater geochemistry in the study area. These findings would provide an in-depth understanding of water quality, potential risks to human health, and coping mechanisms for sustainable drinking water management.","PeriodicalId":29792,"journal":{"name":"Journal of Chemistry and Environment","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140242828","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":"Simulation for migration and treatment of groundwater contamination in coal mining subsidence area: A case study of Datong dump, Huainan, China","authors":"Ayesha Selhaba, Guangquan Xu, Bao Hui, Amna Iqbal","doi":"10.56946/jce.v3i1.297","DOIUrl":"https://doi.org/10.56946/jce.v3i1.297","url":null,"abstract":"The liquid that seeps into the earth from landfills and removes garbage is called landfill leachate. Pollutants like organic and inorganic chemicals, xenobiotic substances, etc. are found in landfill leachate which contaminates groundwater. To study the contamination and treatment of landfill leachate to groundwater, Datong landfill was selected as a target zone. Samples of monitoring wells in the landfill site, the eastern collapse pond, and wells in groundwater from the goaf were tested and analyzed for TDS, conductivity, and dissolved oxygen (DO). To simulate all processes, various modules were built under different conditions. It was found that the leachate not only had polluted surface water but also groundwater. The simulation results showed that the pollution plume expanded spatially and temporally, mainly flowing from west to east and spreading to the north-south direction and reverse flow direction due to the low water level between the east and west sides. Anti-seepage walls and pumping-injection methods were used to control the migration and diffusion of pollution from landfill leachate. The simulation results also showed that both methods were effective in reducing the concentration and range of pollution plumes which would provide a theoretical basis for the treatment of pollutants in the Datong landfill site.","PeriodicalId":29792,"journal":{"name":"Journal of Chemistry and Environment","volume":"41 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140249175","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":"Properties of Electrode Materials and Electrolytes in Supercapacitor Technology","authors":"Syed Shaheen Shah, M. Aziz","doi":"10.56946/jce.v3i1.309","DOIUrl":"https://doi.org/10.56946/jce.v3i1.309","url":null,"abstract":"This thorough review article offers a cutting-edge analysis of the essential characteristics and developments in electrode materials and electrolytes for supercapacitor technology. We start by going over the basics of supercapacitors and how important characterization methods like electrochemical impedance spectroscopy, galvanostatic charge-discharge, and cyclic voltammetry work. Specific capacitance, energy, and power densities, three essential characteristics that are crucial for assessing supercapacitor performance, are carefully covered in this work. We also analyze the many kinds of capacitors, including hybrid supercapacitors, electric double-layer capacitors, pseudocapacitors, and supercapacitors, and explain their working principles and material-specific characteristics. The study highlights the importance of metal oxides and hydroxides, carbon-based materials, conductive polymers, and novel and hybrid materials such as MXenes and metal-organic frameworks. The special qualities of each material class, such as large surface area, electrical conductivity, and particular redox properties, are highlighted in this section. These qualities are crucial for maximizing the performance of supercapacitors. The topic of electrode materials is discussed in detail, including their benefits and the difficulties and chances to improve energy storage, stability, and affordability. Parallel to this, the study thoroughly examines various electrolyte kinds, a sometimes overlooked yet essential part of supercapacitor technology. Discussed include ionic conductivity, operating voltage windows, safety profiles, and electrochemical stability of aqueous, organic, ionic liquid, gel, and solid-state electrolytes. This paper highlights the relationship between supercapacitor performance and electrolyte type, explaining how electrolyte selection affects total energy density, power density, and operational longevity. This review article covers supercapacitor technology in detail and with a wide scope and is an invaluable resource. It is a fundamental work for scholars and practitioners new to the area. It offers sophisticated insights that may encourage creativity and application-specific advancement in this quickly changing field. The study presents a comprehensive analysis of the present and future developments in supercapacitor materials and technology, establishing it as a vital resource in the continuous search for cutting-edge energy storage solutions.","PeriodicalId":29792,"journal":{"name":"Journal of Chemistry and Environment","volume":"49 9","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140440140","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":"Recovery Optimization of Plant Derived Antioxidants And Their Incorporation in Cosmetic Creams to Enhance Antioxidant Potential","authors":"Maira Kaleem, Wajeeha Rafiq, Sofia Nosheen","doi":"10.56946/jce.v2i2.240","DOIUrl":"https://doi.org/10.56946/jce.v2i2.240","url":null,"abstract":"Plants waste is enriched with valuable antioxidants. Extraction optimization, quantification of Total phenolic content (TPC) and evaluation of their anti-aging potential was the prime goal of this research study. Lime, Neem, Radish leaves, and carrot pulp were extracted with two types of solvents under various extraction conditions. The highest TPC were extracted through boiling water (2-3min) for all plant materials as follow: Neem leaves (112.3mg GAE/g), Lime leaves (108.5mg GAE/g), Radish leaves (76.02mg GAE/g) and Carrot pulp (65.84mg GAE/g); Highest free radical scavenging activities were achieved in Neem Leaves (92.82%), Lime leaves (92.34%), Radish leaves (87.4%) and Carrot Pulp (81.22%) under different extraction conditions. Water as extraction solvent yielded greater TPC values than ethanol. Upon the addition of phytoextracts, a substantial increase in the antioxidant activity of the cream samples was detected. Upon loading 2% lime extract, one cream sample exhibited a rise in TPC content from 1.8 to 54.05mg GAE/g and antioxidant activity from 19.34% to 95.35%. Cream samples infused with phytoextracts also showed notable antimicrobial activities. Conclusively, waste derived phytoextracts can be cost-effectively utilized in formulation of skin anti-aging creams.","PeriodicalId":29792,"journal":{"name":"Journal of Chemistry and Environment","volume":"12 29","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138970760","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":"Plant Extract Mediated Biogenic Synthesis and Characterization of Nickel Oxide Nanoparticles and its Environmental and Antibacterial Applications","authors":"Muhammad Faizan, Mariyam Fatima, Faryal Shams, Muhammad Ibrahim, Shabab Hussain, Kehkashan Sabir, Syed Salman, Ihtisham Ahmed, Muhammad Muzamil Arshad, Immad Khan, Mahboob Subhani","doi":"10.56946/jce.v2i2.280","DOIUrl":"https://doi.org/10.56946/jce.v2i2.280","url":null,"abstract":"This research focuses on the green synthesis of Nickel Oxide nanoparticles (NiO NPs) using Musa paradisiaca, commonly known as banana plant, as a cost-effective and eco-friendly approach. Musa paradisiaca, utilized in traditional medicine, possesses various medicinal properties, including antioxidant, antibiotic, allogeneic, and hypoglycemic antimicrobial attributes. The peduncle extract of Musa paradisiaca serves as a reducing and capping agent for NiO nanoparticle synthesis. Characterization techniques such as XRD, EDX, and UV-vis spectroscopy were employed to analyze the properties of the synthesized NiO nanoparticles. XRD analysis confirmed an average grain size of 15.26nm, while SEM images revealed round cubic-shaped nanoparticles with a highly crystalline structure. The antibacterial activity of NiO nanoparticles was investigated against bacterial strains, including Escherichia coli, Staphylococcus aureus, Bordetella bronchiectasis, and Bacillus subtilis, demonstrating effective antibacterial properties. Furthermore, the catalytic power of the synthesized nanoparticles was evaluated through the degradation of methyl blue and methyl orange dyes under sunlight and UV light. The results indicated superior degradation efficiency under sunlight compared to UV light for both dyes. Additionally, the study explored the adsorption activity of NiO nanoparticles for chromium (VI) at various concentrations, with the best adsorption percentage recorded at 17.23% under pH 4.","PeriodicalId":29792,"journal":{"name":"Journal of Chemistry and Environment","volume":"490 ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139178851","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":"Physio-chemical and Thermal Characterization of Demineralized Poultry Litter using Mechanical Sizing Fractioning, Acid Solvents, and Deionized Water","authors":"Kevin Nyoni, Leungo Kelebopile","doi":"10.56946/jce.v2i2.153","DOIUrl":"https://doi.org/10.56946/jce.v2i2.153","url":null,"abstract":"Poultry litter is an organic waste composed of manure, feathers, and bedding, containing both organic and inorganic elements. Inorganic elements corrode and agglomerate the reactors when poultry litter is thermally converted to biochar, bio-oil or combusted. Demineralizing poultry litter through mechanical size fractioning, acid solvent, and deionized water can decrease the inorganic elements' composition. This study investigates to identify the effects of different demineralization methods on the physio-chemical and thermal characteristics of poultry litter. Statistical analysis (p-value of 0.001) showed that the pretreatment methods reduced the inorganic elements. Mechanically fractioned poultry litter with particle sizes of 1.19-2.36mm and 2.37-5.00mm showed a low inorganic element composition of 7.85% and 9.19% when demineralized. The acid solvent and PL:DI treatments varied their extraction effectiveness depending on the type of inorganic element removed, ranging from 9.65-11.73% of the total inorganic element composition. PL:AcOH treatment had the lowest ash content at 6.89% from 12.33%. Mechanical size fractioned samples had the lowest moisture content, ranging from 2.53% to 4.65%. All the samples had high fixed carbon content except for PL:<1.18mm sample. Volatile matter for PL: AcOH, PL: DI, and PL:2.37-5.00mm samples were higher than the UT: PL and other treated samples. The treated samples noted a low C, high O, S, N, H/C, and O/C and comparable H content with UT: PL sample. Removal of inorganic elements increased the sample's high heating value, with the PL:2.37-5.00mm sample having the highest at 17.60 MJ Kg-1. The FTIR spectra of the demineralized sample revealed a reduction in the transmittance band, indicating the decomposition of the cellulose and hemicellulose structures. TGA-DTG supported the findings by noting a shift in temperature increase with peak temperatures higher than UT: PL sample samples. The degradation occurred at temperatures up to 380°C, noting the degradation of the cellulose and hemicellulose structure of the demineralized poultry litter.","PeriodicalId":29792,"journal":{"name":"Journal of Chemistry and Environment","volume":"7 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136346582","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":"Experimental and Theoretical Aspects of MXenes-Based Energy Storage and Energy Conversion Devices","authors":"Salamat Ali, Awais Ahmad, Iftikhar Hussain, Syed Shoaib Ahmad Shah, Muhammad Sufyan Javed, Shafqat Ali, Asad Ali, Muhammad Sufyan Javed","doi":"10.56946/jce.v2i2.214","DOIUrl":"https://doi.org/10.56946/jce.v2i2.214","url":null,"abstract":"Transition metal carbides, nitrides, and carbonitrides (MXenes) have become an appealing framework for developing various energy applications. MXenes with van der Waals (vdW) interactions are facile, highly efficient, affordable, and self-assembled features that improve energy density. MXenes exhibit large surface area, high electric conductivity, and excellent electrochemical characteristics for various energy applications. This review summarizes and emphasizes the current developments in MXene with improved performance for energy storage or conversion devices, including supercapacitors (SCs), various types of rechargeable batteries (RBs), solar cells, and fuel cells. We discuss the crystal structures of MXenes properties of MXenes and briefly discuss them for different types of energy applications. Finally, the critical outlook and perspective for the MXene progress for applications in energy applications are also described.","PeriodicalId":29792,"journal":{"name":"Journal of Chemistry and Environment","volume":"53 6","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135725108","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":"Sustainable Catalysis: Navigating Challenges and Embracing Opportunities for a Greener Future","authors":"Umair Habib, Farooq Ahmad, Muhammad Awais, Namisa Naz, Maira Aslam, Malka Urooj, Anam Moqeem, Hira Tahseen, Aimen Waqar, Muhammad Sajid, Muhammad Jamshaid Shabbir","doi":"10.56946/jce.v2i2.205","DOIUrl":"https://doi.org/10.56946/jce.v2i2.205","url":null,"abstract":"Catalysis plays a crucial role in sustainable chemistry, as demonstrated in this review article. The introduction highlights the importance of catalysis in sustainability and summarizes catalysis research. In this review, we discussed sustainable catalysis, including green chemistry, sustainable catalysis criteria, and catalytic reactions. These examples demonstrate CO2 conversion, alcohol dehydrogenation, alkene oxidation, and biomass-to-biofuel conversion using zeolites. This study also examines sustainable catalysis difficulties like stability, synthesis, design, recovery, reuse, scale-up, and commercialization. Sustainable catalysis can be achieved via bio-inspired catalysts, renewable energy sources, nano-catalysis methods, computational methods, and innovative catalysts developed for sustainable chemistry. This study also includes sustainable catalysis case studies for CO2, biomass, water treatment, and renewable energy conversion. The review finishes with sustainable catalysis research directions. These directions include studying metal-free catalysis, integrating catalysis with other sustainable fuel cell technologies, implementing sustainable catalysis in industry, and its environmental and societal impacts. The topic covers photocatalysis, heterogeneous catalysis, and electrocatalysis, highlighting their environmental and economic effects. This comprehensive study of sustainable catalysis shows its potential to transform chemical reactions while emphasizing environmental and social concerns, improving green chemistry.","PeriodicalId":29792,"journal":{"name":"Journal of Chemistry and Environment","volume":"19 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135590286","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}