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Pressure and temperature influence the efficacy of metal-organic frameworks for carbon capture and conversion

Lin et al. | May 07, 2023

Pressure and temperature influence the efficacy of metal-organic frameworks for carbon capture and conversion

Metal-organic frameworks (MOFs) are promising new nanomaterials for use in the fight against climate change that can efficiently capture and convert CO2 to other useful carbon products. This research used computational models to determine the reaction conditions under which MOFs can more efficiently capture and convert CO2. In a cost-efficient manner, this analysis tested the hypothesis that pressure and temperature affect the efficacy of carbon capture and conversion, and contribute to understanding the optimal conditions for MOF performance to improve the use of MOFs for controlling greenhouse CO2 emissions.

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Capturing Harmful Air Pollutants Using an Electrospun Mesh Embedded with Zinc-based Nanocrystals

Doppalapudi et al. | May 12, 2020

Capturing Harmful Air Pollutants Using an Electrospun Mesh Embedded with Zinc-based Nanocrystals

Zeolithic imidazolate framework-8 (ZIF-8) is a specific metal-organic framework that has favorable qualities for use in an air filter and is known to be capable of adsorbing particulate matter. Therefore, the objective of this experiment was to determine the effectiveness of ZIF-8 in adsorbing polar, gaseous air pollutants, specifically nitrogen dioxide and hydrogen sulfide. In order to determine effectiveness, the percent change in concentration for various gases after the application of ZIF-8 crystals was measured via Fourier-transform infrared spectroscopy (FTIR). The work highlights crystals as a potentially promising alternative or addition to current filter materials to reduce atmospheric pollution.

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Effect of Different Growth Media on Algae’s Ability for Carbon Dioxide Biofixation

Chaudhuri et al. | Oct 12, 2020

Effect of Different Growth Media on Algae’s Ability for Carbon Dioxide Biofixation

In this study, the authors investigate the effects of different algal growth media on algae's ability to perform carbon dioxide biofixation, or utilize carbon dioxide by fixing it into fatty acids within the cells. More specifically, carbon dioxide biofixation of Chlorella vulgaris was cultured in one of four media options and carbon dioxide was measured and compared to controls. The study results demonstrated that the use of media can enhance algae's capacity for biofixation and this has important implications for developing methods to reduce carbon dioxide in the environment.

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Impact of carbon number and atom number on cc-pVTZ Hartree-Fock Energy and program runtime of alkanes

Pan et al. | Mar 06, 2024

Impact of carbon number and atom number on cc-pVTZ Hartree-Fock Energy and program runtime of alkanes
Image credit: The authors

It's time-consuming to complete the calculations that are used to study nuclear reactions and energy. To uncover which computational chemistry tools are useful for this challenge, Pan, Vaiyakarnam, Li, and McMahan investigated whether the Python-based Simulations of Chemistry Framework’s Hartree-Fock (PySCF) method is an efficient and accurate way to assess alkane molecules.

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