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Construction of Molecular Structure and Active Site Analysis of Zichang Coal: Experimental and Computational Study

https://doi.org/10.2139/ssrn.4677284
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Experimental study of kerogen maturation by solid-state 13C NMR spectroscopy
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Chemical–structural properties of South African bituminous coals: Insights from wide angle XRD–carbon fraction analysis, ATR–FTIR, solid state 13 C NMR, and HRTEM techniques
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FTIR and Raman spectroscopy characterization of functional groups in various rank coals
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The pyrolysis of vitrinite and inertinite by a combination of quantum chemistry calculation and thermogravimetry-mass spectrometry
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Molecular structure characterization of low-medium rank coals via XRD, solid state 13C NMR and FTIR spectroscopy
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Molecular structure characterization of lignite treated with ionic liquid via FTIR and XRD spectroscopy
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A method to identify coal spontaneous combustion-prone regions based on goaf flow field under dynamic porosity
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Study on explosion suppression of coal dust with different particle size by shell powder and NaHCO3
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Construction of molecular structure model of Tunlan coal and its microscopic physicochemical mechanism
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Study on the effect of low molecular hydrocarbon compounds on coal spontaneous combustion
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Molecular Dynamics Simulations and Experimental Study of the Effects of an Ionic Surfactant on the Wettability of Low-Rank Coal
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Experimental study on oxygen adsorption capacity and oxidation characteristics of coal samples with different particle sizes
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Insight into the effect of biaxial compression strain on adsorption structure of bituminous coal matrix as well as gas diffusion and permeability properties by macromolecule simulation
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Experimental and theoretical study on molecular structure construction of Hongliulin coal
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Experimental and numerical study on suppressing coal dust deflagration flame with NaHCO3 and MPP
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A review of the correlations of coal properties with elemental composition
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Insights into influence of CH4 on CO2/N2 injection into bituminous coal matrix with biaxial compression strain in molecular terms
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Thermodynamic characteristics of methane adsorption about coking coal molecular with different sulfur components: Considering the influence of moisture contents
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Construction of a Macromolecular Structure Model for Zhundong Subbituminous Coal
inferredcites →https://doi.org/10.1016/j.molstruc.2022.134517openalex-extracted
Construction of different metamorphic degree coal models and corresponding adsorption characteristics based on molecular simulation
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Understanding the molecular structure of Datong coal by combining experimental and computational study
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Influence of uniaxial strain loading on the adsorption-diffusion properties of binary components of CH4/CO2 in micropores of bituminous coal by macromolecular simulation
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Quantum chemical calculation of reaction characteristics of hydroxyl at different positions during coal spontaneous combustion
inferredcites →https://doi.org/10.1021/acs.energyfuels.0c02670openalex-extracted
Methane Adsorption Influence and Diffusion Behavior of Coking Coal Macromolecules under Different Moisture Contents
inferredcites →https://doi.org/10.1021/acs.energyfuels.6b01854openalex-extracted
Theoretical and Experimental Insight into Coal Structure: Establishing a Chemical Model for Yuzhou Lignite
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Large Scale Molecular Model Construction of Xishan Bituminous Coal
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Construction of a Multicomponent Molecular Model of Fugu Coal for ReaxFF-MD Pyrolysis Simulation
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Carbon-13 solid-state NMR of Argonne-premium coals
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Computer simulation of the molecular structure of bituminous coal
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Diagnosis of the Surface Chemistry Effects on Fine Coal Flotation Using Saline Water
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Temperature-Programmed Oxidation Experiments on Typical Bituminous Coal Under Inert Conditions
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