59 research outputs found

    Research on the Abnormal Isothermal Adsorption of Shale

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    The adsorption content of the shale sample and pure clay minerals decreased at a high pressure and clearly declined for pure clay minerals. With the increase in the test pressure, the degree of deviation between the gaseous phase CH<sub>4</sub> density increment rate and the adsorbed phase CH<sub>4</sub> mass increment rate decreased, which resulted in a decrease in the methane adsorption values calculated at a high pressure. As the test pressure increased, the measurement volume of the shale sample and the pure clay minerals decreased. In the adsorption measurement, the diameter of CH<sub>4</sub> is larger than that of He, with the development of the micropores in shale; the actual measurement volume was larger compared to that in the buoyancy measurement. Accompanied by the increase in the test pressure and adsorption, the volume of the adsorbed phase CH<sub>4</sub> should also be considered in the calculation performed in the adsorption measurement. All of these factors have reinforced the calculated degree of reduction of methane adsorption at a high pressure. Besides the adsorption capacities of different pure clay minerals being different, the content and types of pure clay minerals also affected the adsorption capacity of shale at a high pressure

    Hydrogenation-Assisted Graphene Origami and Its Application in Programmable Molecular Mass Uptake, Storage, and Release

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    The malleable nature of atomically thin graphene makes it a potential candidate material for nanoscale origami, a promising bottom-up nanomanufacturing approach to fabricating nanobuilding blocks of desirable shapes. The success of graphene origami hinges upon precise and facile control of graphene morphology, which still remains as a significant challenge. Inspired by recent progresses on functionalization and patterning of graphene, we demonstrate hydrogenation-assisted graphene origami (HAGO), a feasible and robust approach to enabling the formation of unconventional carbon nanostructures, through systematic molecular dynamics simulations. A unique and desirable feature of HAGO-enabled nanostructures is the programmable tunability of their morphology <i>via</i> an external electric field. In particular, we demonstrate reversible opening and closing of a HAGO-enabled graphene nanocage, a mechanism that is crucial to achieve molecular mass uptake, storage, and release. HAGO holds promise to enable an array of carbon nanostructures of desirable functionalities by design. As an example, we demonstrate HAGO-enabled high-density hydrogen storage with a weighted percentage exceeding the ultimate goal of US Department of Energy

    Mechanisms of CO Activation, Surface Oxygen Removal, Surface Carbon Hydrogenation, and C–C Coupling on the Stepped Fe(710) Surface from Computation

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    To understand the initial steps of Fe-based Fischer–Tropsch synthesis, systematic periodic density functional theory computations have been performed on the single-atom stepped Fe(710) surface, composed by <i>p</i>(3 × 3) Fe(100)-like terrace and <i>p</i>(3 × 1) Fe(110)-like step. It is found that CO direct dissociation into surface C and O is more favored kinetically and thermodynamically than the H-assisted activation via HCO and COH formation. Accordingly, surface O removal by hydrogen via H<sub>2</sub>O formation is the only way. On the basis of surface CH<sub><i>x</i></sub> hydrogenation (<i>x</i> = 0, 1, 2, 3), surface CH<sub><i>x</i></sub> + CH<sub><i>x</i></sub> coupling and CO + CH<sub><i>x</i></sub> insertion resulting in CH<sub><i>x</i></sub>CO formation followed by C–O dissociation, surface C hydrogenation toward CH<sub>3</sub> formation is more favored kinetically than the formation of CH<sub><i>x</i></sub>-CH<sub><i>x</i></sub> and CH<sub><i>x</i></sub>CO, as well as thermodynamically. Starting from CH<sub>3</sub>, the formation of CH<sub>4</sub> and CH<sub>3</sub>CO has similar barriers and endothermic reaction energies, while CH<sub>3</sub>CO dissociation into CH<sub>3</sub>C + O has low barrier and is highly exothermic. Therefore, turning the H<sub>2</sub>/CO ratio should change the selectivity toward C–C formation and propagation

    Plans to Siege the Towns of Tábor and Brno During the Thirty Years' War in the Light of Interdisciplinary Study

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    Katedra obecné antropologieDepartment of General AnthropologyFaculty of HumanitiesFakulta humanitních studi

    Additional file 2: of Compositional and mutational rate heterogeneity in mitochondrial genomes and its effect on the phylogenetic inferences of Cimicomorpha (Hemiptera: Heteroptera)

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    Conventional chi-squared test of each gene and dataset with each codon position. P < 0.05 indicated heterogeneity. PCG1, the first codon position of PCG. PCG2, the second codon position of PCG. PCG3, the third codon position of PCG. PCGRY1, the first codon position was RY recoded. PCGRY3, the third codon position was RY recoded. (TIFF 502 kb

    Additional file 5: of Compositional and mutational rate heterogeneity in mitochondrial genomes and its effect on the phylogenetic inferences of Cimicomorpha (Hemiptera: Heteroptera)

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    Model-based saturation plots for amino acid and nucleotide datasets. Plots of patristic distances of datasets (PCG, AA and PCG12) as estimated from the CAT+GTR tree, compared to distances estimated from the observed distances (uncorrected P-distances). (TIFF 459 kb

    Additional file 9: of Compositional and mutational rate heterogeneity in mitochondrial genomes and its effect on the phylogenetic inferences of Cimicomorpha (Hemiptera: Heteroptera)

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    Complete or nearly complete mt-genomes used in this study. Mt-genome sequences of 5 newly sequenced species and 24 species generated from our previous studies were highlighted in bold. (XLSX 15 kb
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