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6 results for “Flue Gas”

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zenodo48/100

Planetary Boundaries Assessment of Flue Gas Valorization into Ammonia and Methane

<p>Dataset associated with the publication &quot;Planetary Boundaries Assessment of Flue Gas Valorization into Ammonia and Methane&quot; by Sebastiano C. D&#39;Angelo, Julian Mache, and Gonzalo Guill&eacute;n-Gos&aacute;lbez,&nbsp;available at&nbsp;<a href="https://doi.org/10.1021/acssuschemeng.1c01915">https://doi.org/10.1016/B978-0-323-95879-0.50134-X</a>. The dataset includes the numeric&nbsp;data associated with Table 1 and Figure 2, converted into a machine-readable format.</p> <p>The structure of the dataset is here elucidated sheet by sheet:</p> <ul> <li><strong>StreamTable</strong>: numerical values associated with full set of streams depicted in Figure 1, among which a selection is reported in Table 1.</li> <li><strong>LCA-Results</strong>: numerical values associated with the breakdown of the environmental impacts for the selection of scenarios&nbsp;reported in Figure 2, for all the assessed control variables.</li> </ul>

opencc-by-4.0Jul 2022View details →
zenodo40/100

N-containing carbons derived from microporous coordination polymers for use in post-combustion flue gas capture

<p>Datasets for the plots shown in the article entitled:&nbsp;N-containing carbons derived from microporous coordination polymers for use in post-combustion flue gas capture&nbsp;</p>

opencc-by-4.0Jan 2023View details →
zenodo36/100

Multi-Scale Computational Screening to Accelerate Discovery of IL/COF Composites for Flue Gas Separation

<p>Covalent organic frameworks (COFs) have emerged as novel adsorbents and membranes for gas separation. Incorporation of ionic liquids (ILs) into COFs is important to exceed the current performance limits of COFs. However, synthesis and testing of a nearly unlimited number of IL/COF combinations are simply impractical. Herein, we used a multi-scale computational screening approach combining COnductor-like Screening MOdel for Realistic Solvents (COSMO-RS) method, Grand Canonical Monte Carlo (GCMC), molecular dynamics (MD) simulations, and density functional theory (DFT) calculations to unlock both the adsorption- and membrane-based CO<sub>2</sub>/N<sub>2 </sub>separation performances of IL/COF composites. Several adsorbent and membrane performance assessment metrics including selectivity, working capacity, regenerability, adsorbent performance score, and permeability were computed. Our results revealed that IL-incorporation into COFs significantly improved CO<sub>2</sub>/N<sub>2</sub> adsorption selectivities (from 12 to 26) and adsorbent performance scores (from 3.7 to 12 mol/kg). By performing DFT calculations, the nature of the interactions between CO<sub>2</sub>, N<sub>2</sub>, COFs and their IL-incorporated composites were evaluated. The high CO<sub>2</sub> selectivity of IL/COF composites was attributed to the cooperative intermolecular effects induced by the COF and the IL. Finally, IL/COF membranes were studied, and results showed that they achieve significantly higher CO<sub>2</sub> permeabilities (2.4 10<sup>4</sup>-9.4 10<sup>5</sup> Barrer) than polymeric and zeolite membranes and comparable selectivities (up to 15.7), which hold great promise to replace conventional materials in membrane-based flue gas separation applications. Our results will be useful in accelerating experimental efforts to design new IL/COF composites that can achieve high-performance CO<sub>2</sub> separation.</p>

opencc-by-4.0Dec 2021View details →
dryad32/100

Preparation of Phosphorus doping modification of porous boron nitride and its adsorption characteristics for heavy metals in flue gas

Boron nitride, known as "white graphene", have attracted extensive attention to the fields of adsorption, catalysis and hydrogen storage due to their excellent chemical properties. In this paper, the phosphorus doped boron nitride material (P-BN), was successfully prepared by red phosphorus as a dopant for the preparation of porous boron nitride precursors, the phosphorus content in P-BN was adjusted by the addition rate of phosphorus. The tendency of specific surface area of P-BN increased firstly and then decreased with the increasing of phosphorus addition rate, and the maximum specific surface area was 837.08m2/g when the phosphorus addition rate was 0.50. The P-BN, prepared by the experimental, used as an adsorbent had been proved its adsorption capacity for heavy metal flue gas. In particular, P-BN had a stronger adsorption selectivity for Zinc compared with other heavy metals, and the adsorption capacity of P-BN for Zinc reached 5~38 times higher than that of other heavy metals. However, the maximum adsorption capacities of P-BN for Zinc and Copper in the single heavy metal atmosphere were 69.45mg/g and 53.80mg/g, respectively.

opencc-zeroAug 2020View details →
zenodo32/100

O2-tolerant CO dehydrogenase via tunnel redesign for the removal of CO from industrial flue gas

<p>Molecular dynamics simulations for CODH enzymes studied in &quot;<strong>O<sub>2</sub>-tolerant CO dehydrogenase via tunnel redesign for </strong><strong>the </strong><strong>removal of CO from industrial flue gas</strong><strong>&quot;.</strong></p> <p>The repository contains&nbsp;the 10&nbsp;nanoseconds of NAMD simulation of CODH enzymes.</p>

opencc-by-4.0Aug 2022View details →
dryad32/100

Preparation of Phosphorus doping modification of porous boron nitride and its adsorption characteristics for heavy metals in flue gas

Open the record for dataset details and reuse information.

publicAug 2020View details →

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