2020
DOI: 10.3390/nano10020344
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Adsorption and Diffusion of Hydrogen in Carbon Honeycomb

Abstract: Carbon honeycomb has a nanoporous structure with good mechanical properties including strength. Here we investigate the adsorption and diffusion of hydrogen in carbon honeycomb via grand canonical Monte Carlo simulations and molecular dynamics simulations including strength. Based on the adsorption simulations, molecular dynamics simulations are employed to study the effect of pressure and temperature for the adsorption and diffusion of hydrogen. To study the effect of pressure, we select the 0.1, 1, 5, 10, 15… Show more

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Cited by 12 publications
(8 citation statements)
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“…Therefore, wastewaters containing this type of dyes were highlighted as one of the most important threatening factors in environmental and public health [2,5]. Different studies have reported that there are several methods for removing dyes from textile wastewaters, including the application of photodecomposition [6], electrolysis [7,8], adsorption [9][10][11][12][13][14][15][16][17][18], oxidation [19], biodegradation [20], combined sonochemical and adsorption [21], coagulation-flocculation [22,23], etc.…”
Section: Introductionmentioning
confidence: 99%
“…Therefore, wastewaters containing this type of dyes were highlighted as one of the most important threatening factors in environmental and public health [2,5]. Different studies have reported that there are several methods for removing dyes from textile wastewaters, including the application of photodecomposition [6], electrolysis [7,8], adsorption [9][10][11][12][13][14][15][16][17][18], oxidation [19], biodegradation [20], combined sonochemical and adsorption [21], coagulation-flocculation [22,23], etc.…”
Section: Introductionmentioning
confidence: 99%
“…[7][8][9][10] Among all hydrogen storage materials, metal hydride hydrogen storage systems are thought to be preferential choices for meeting the requirements of mobile facilities. 11 The application goal has been achieved by some reported hydrogen storage materials. What is more, some AB 2 -type and other alloys appear regularly in daily life.…”
Section: Introductionmentioning
confidence: 99%
“…Recent numerical simulation by GCMC carried out by Qin et al [138] have shown that it is possible to reach 4.5 wt.% of hydrogen uptake at 77 K and 2 MPa with a carbon nanomaterial having…”
Section: Other Carbon Materialsmentioning
confidence: 99%
“…Recent numerical simulation by GCMC carried out by Qin et al [138] have shown that it is possible to reach 4.5 wt.% of hydrogen uptake at 77 K and 2 MPa with a carbon nanomaterial having a honeycomb structure. Li et al [139] obtained excess uptakes in the range 4.70-5.94 wt.% at 77 K and 2 MPa using polyacrylonitrile-based porous carbons with high A BET , between 2565 and 3049 m 2 g −1 .…”
Section: Other Carbon Materialsmentioning
confidence: 99%