In this work, ACs were originated from two different bio-waste sources of Date and Jujube seeds (DS and JS). The influence of the precursor type as well as KOH chemical activator ratio on the structural properties and CO adsorption performances of synthesized ACs were assessed. Impact of pre-treatment of raw material via functionalization with urea on the performance of prepared adsorbents was also evaluated. Functionalized DS-based AC possessed the highest surface area and largest micropore volume equal to 864 m/g and 0.33 cm/g, respectively. CO adsorption behavior of ACs was experimentally evaluated via TGA at different adsorption temperatures of 25 and 50 °C and CO concentrations of 10 and 90 vol% under atmospheric pressure. Based on the TGA results, functionalized and non-functionalized DS-prepared ACs with KOH: biochar weight ratio of 2:1, demonstrated great CO capture capacity up to 1.3 and 1.2 mmol/g, respectively under realistic condition of 10 vol% CO and 25 °C. The urea-nitrogenation and KOH-activation as economical and simple approaches sensitively assisted preparation of a novel and promising N-doped porous AC from bio-waste resources which can be exploited for superior CO capture applications.
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http://dx.doi.org/10.1016/j.envres.2024.120017 | DOI Listing |
Environ Monit Assess
January 2025
College of the Environment and Ecology, Xiamen University, Xiamen, 361102, Fujian, China.
Synthetic organic dye such as methylene blue (MB) is non-biodegradable and highly toxic, released from textile wastewater. This work investigates the applicability of Ni@ZnO polymer nanocomposite for MB removal from the wastewater. To understand their differences before and after MB adsorption, composites' surface morphology was characterized by various techniques including scanning electron microscope (SEM), thermogravimetric analysis (TGA), X-ray diffraction (XRD), energy dispersive spectroscopy (EDS), Fourier transformation infrared (FT-IR) and UV-Vis spectrophotometer.
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January 2025
Department of Chemistry, Chaudhary Bansi Lal University, Bhiwani, Haryana, 127031, India.
Adsorption seemed like an excellent physicochemical process employed for wastewater treatment. In the last few decades, significant improvements have been made in efficiency and economy to remove contaminants from wastewater using several adsorbents. However, less attention was paid to the regeneration of used adsorbents.
View Article and Find Full Text PDFChemistryOpen
January 2025
Laboratory of Electrochemical Engineering, Department of Chemical Engineering, University of the Philippines Diliman, Quezon City, Metro Manila, 1101, Philippines.
In this study, we identified features with the largest contributions and property trends in predicting the adsorption energies of carbon, hydrogen, and oxygen adsorbates on transition metal (TM) surfaces by performing Density Functional Theory (DFT)-based calculations and Machine Learning (ML) regression models. From 26 monometallic and 400 bimetallic fcc(111) TM surfaces obtained from Catalysis-hub.org, three datasets consisting of fourteen elemental, electronic, and structural properties were generated using DFT calculations, site calculations, and online databases.
View Article and Find Full Text PDFChemistryOpen
January 2025
Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 61519, Egypt.
The potential of the two-dimensional ruthenium carbide (RuC) nanosheet to detect highly toxic environmental compounds - namely, Furan (Fur) and 1,n-Dioxane (1,n-Diox) - was investigated utilizing the density functional theory (DFT) approach. The adsorption features of the Fur and 1,n-Diox molecules on the RuC nanosheet were evaluated in parallel and vertical configurations. From energetic manifestations, Fur and 1,n-Diox molecules preferred to be adsorbed in the parallel configuration rather than the vertical one on the RuC nanosheet with negative E values of -27.
View Article and Find Full Text PDFChemphyschem
January 2025
Hefei Institutes of Physical Science Chinese Academy of Sciences: Chinese Academy of Sciences Hefei Institutes of Physical Science, Physics, , Hefei, 230031, Hefei, CHINA.
This study employs first-principles methods to investigate the ORR catalytic activity of As-doped and AsN co-doped graphene. As atoms, as catalytic active sites, exhibit excellent catalytic activity. Due to the strong interaction between As and N, the stability of the As-N co-doped substrate is enhanced.
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