Biomass-derived porous carbons have been considered one of the most effective adsorbents for CO capture, due to their porous structure and high specific surface area. In this study, we successfully synthesized porous carbon from celery biomass and examined the effect of external adsorption parameters including time, temperature, and pressure on CO uptake in experimental and molecular dynamics (MD) simulations. Furthermore, the influence of carbon's surface chemistry (carboxyl and hydroxyl functionalities) and nitrogen type on CO capture were investigated utilizing MD simulations. The results showed that pyridinic nitrogen has a greater tendency to adsorb CO than graphitic. It was found that the simultaneous presence of these two types of nitrogen has a greater effect on the CO sorption than the individual presence of each in the structure. It was also revealed that the addition of carboxyl groups (O=C-OH) to the carbon matrix enhances CO capture by about 10%. Additionally, by increasing the simulation time and the size of the simulation box, the average absolute relative error for simulation results of optimal structure declined to 16%, which is an acceptable value and makes the simulation process reliable to predict adsorption capacity under various conditions.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9135713 | PMC |
| http://dx.doi.org/10.1038/s41598-022-12596-5 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
APE1-Activated and NIR-II Photothermal-Enhanced Chemodynamic Therapy Guided by Amplified Fluorescence Imaging.
Anal Chem
January 2025
State Key Laboratory for the Chemistry and Molecular Engineering of Medicinal Resources, Key Laboratory for Chemistry and Molecular Engineering of Medicinal Resources (Ministry of Education of China), Collaborative Innovation Center for Guangxi Ethnic Medicine, School of Chemistry and Pharmaceutical Sciences, Guangxi Normal University, Guilin 541004, PR China.
The development of intelligent nanotheranostic technology that integrates diagnostic and therapeutic functions holds great promise for personalized nanomedicine. However, most of the nanotheranostic agents exhibit "always-on" properties and do not involve an amplification step, which may largely limit imaging contrast and restrict therapeutic efficacy. Herein, we construct a novel nanotheranostic platform (Hemin/DHPs/PDA@CuS nanocomposite) by assembling DNA hairpin probes (DHPs) and hemin on the surface of PDA@CuS nanosheets that enables amplified fluorescence imaging and activatable chemodynamic therapy (CDT) of tumors.
View Article and Find Full Text PDFAntimicrobial membranes based on polycaprolactone:pectin blends reinforced with zeolite faujasite for cloxacillin-controlled release.
Discov Nano
January 2025
National Nanotechnology Laboratory for Agriculture (LNNA), Embrapa Instrumentação, 1452 XV de Novembro St., São Carlos, SP, 13560-970, Brazil.
Multifunctional membranes applied to biomedical materials become attractive to support the biological agents and increase their properties. In this study, biopolymeric fibers based on polycaprolactone (PCL) and pectin (PEC) were reinforced with faujasite zeolite (FAU) for cloxacillin antibiotic (CLX) loading. FAU with a high specific surface area (347 ± 8 m g), high crystallinity and particles with a diameter of up to 100 nm were produced under optimized synthesis conditions (100 °C/4 h).
View Article and Find Full Text PDFElectrochemical aptasensor based on zirconium/copper oxides embedded in mesoporous carbon derived from bimetallic metal-organic framework for ultrasensitive detection of miR-21.
Mikrochim Acta
January 2025
Electroanalytical Chemistry Research Laboratory, Department of Analytical Chemistry, Faculty of Chemistry, University of Mazandaran, Babolsar, Iran.
A novel electrochemical aptasensor based on bimetallic zirconium and copper oxides embedded within mesoporous carbon (denoted as ZrOCuO@mC) was constructed to detect miRNA. The porous ZrOCuO@mC was created through the pyrolysis of bimetallic zirconium/copper-based metal-organic framework (ZrCu-MOF). The substantial surface area and high porosity of ZrOCuO@mC nanocomposite along with its robust affinity toward aptamer strands, facilitated the effective anchoring of aptamer strands on the ZrOCuO@mC-modified electrode surface.
View Article and Find Full Text PDFSolid-State Nuclear Magnetic Resonance Spectroscopy for Surface Characterization of Metal Oxide Nanoparticles: State of the Art and Perspectives.
J Am Chem Soc
January 2025
State Key Laboratory of Catalysis, Dalian National Laboratory for Clean Energy, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, 457 Zhongshan Road, Dalian 116023, China.
Metal oxide materials have found wide applications across diverse fields; in most cases, their functionalities are dictated by their surface structures and properties. A comprehensive understanding of the intricate surface features is critical for their further design, optimization, and applications, necessitating multi-faceted characterizations. Recent advances in solid-state nuclear magnetic resonance (ssNMR) spectroscopy have significantly extended its applications in the detailed analysis of multiple metal oxide nanoparticles, offering unparalleled atomic-level information on the surface structures, properties, and chemistries.
View Article and Find Full Text PDFMechanically Robust Bismuth-Embedded Carbon Microspheres for Ultrafast Charging and Ultrastable Sodium-Ion Batteries.
J Am Chem Soc
January 2025
State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Materials, Xiamen University, Xiamen 361005, China.
Advancements in the development of fast-charging and long-lasting microstructured alloying anodes with high volumetric capacities are essential for enhancing the operational efficiency of sodium-ion batteries (SIBs). These anodes, however, face challenges such as declined cyclability and rate capability, primarily due to mechanical degradation reduced by significant volumetric changes (over 252%) and slow kinetics of sodium-ion storage. Herein, we introduce a novel anode design featuring densely packed bismuth (Bi) embedded within highly conductive carbon microspheres to overcome the aforementioned challenges.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!