Matches in SemOpenAlex for { <https://semopenalex.org/work/W4386601070> ?p ?o ?g. }
Showing items 1 to 89 of
89
with 100 items per page.
- W4386601070 endingPage "355" @default.
- W4386601070 startingPage "355" @default.
- W4386601070 abstract "This study aimed to further explore the adsorption properties of different gases (CO2, O2, and CH4) on the coking coal surface by establishing a molecular model. Changes in the absolute adsorption capacity and the isosteric heat of adsorption of gases under different temperatures, pressures, and compositions were simulated using grand canonical Monte Carlo (GCMC) and molecular dynamics simulations. Interaction energy and energy distribution were used to analyze the adsorption behavior of gases, and the diffusion properties were investigated using the diffusion coefficient and diffusion activation energy. The absolute adsorption results fit well with the Langmuir–Freundlich model. The absolute adsorption capacity had a significant positive correlation with pressure and the corresponding mole fraction, and a significant negative correlation with temperature. The competitiveness, based on binary adsorption selectivity, was in the order of CO2 > O2 > CH4. The isosteric heat of adsorption of CH4 was slightly higher than that of O2, and that of CO2 was 1.49–1.64 times that of O2 and CH4. The isosteric heat of the adsorption of gases was also barely influenced by temperature and pressure. The interaction energy between CO2 and coal was greater than that of O2 or CH4, but the high pressure and high content were not conducive to the adsorption of O2 by CO2. The preferred adsorption site for CO2 was stronger than that for O2 and CH4, and its peak value negatively correlated with the molar fraction. The diffusion coefficient for single component gases initially increased and then decreased with increased pressure, showing a positive correlation with temperature. A close inverse correlation existed between diffusion activation energy and pressure. These results revealed the microscopic adsorption and diffusion regularities of CO2, O2, and CH4 in the coal model, indicating great significance in accurately predicting coal fires." @default.
- W4386601070 created "2023-09-12" @default.
- W4386601070 creator A5019397177 @default.
- W4386601070 creator A5049120665 @default.
- W4386601070 creator A5075444205 @default.
- W4386601070 date "2023-09-11" @default.
- W4386601070 modified "2023-09-29" @default.
- W4386601070 title "Molecular Simulation Study Based on Adsorption of Gas (CO2,O2,CH4) on Coal" @default.
- W4386601070 cites W1059499822 @default.
- W4386601070 cites W1990205109 @default.
- W4386601070 cites W2041902442 @default.
- W4386601070 cites W2076648954 @default.
- W4386601070 cites W2095301762 @default.
- W4386601070 cites W2157942880 @default.
- W4386601070 cites W2302070477 @default.
- W4386601070 cites W2326331752 @default.
- W4386601070 cites W2329087003 @default.
- W4386601070 cites W2495236575 @default.
- W4386601070 cites W2526893533 @default.
- W4386601070 cites W2625599415 @default.
- W4386601070 cites W2803687971 @default.
- W4386601070 cites W2884707023 @default.
- W4386601070 cites W2899899768 @default.
- W4386601070 cites W2911510437 @default.
- W4386601070 cites W2959954933 @default.
- W4386601070 cites W2972482130 @default.
- W4386601070 cites W3006959559 @default.
- W4386601070 cites W3014366746 @default.
- W4386601070 cites W3036109375 @default.
- W4386601070 cites W3083524606 @default.
- W4386601070 cites W4313414795 @default.
- W4386601070 doi "https://doi.org/10.3390/fire6090355" @default.
- W4386601070 hasPublicationYear "2023" @default.
- W4386601070 type Work @default.
- W4386601070 citedByCount "0" @default.
- W4386601070 crossrefType "journal-article" @default.
- W4386601070 hasAuthorship W4386601070A5019397177 @default.
- W4386601070 hasAuthorship W4386601070A5049120665 @default.
- W4386601070 hasAuthorship W4386601070A5075444205 @default.
- W4386601070 hasBestOaLocation W43866010701 @default.
- W4386601070 hasConcept C112825004 @default.
- W4386601070 hasConcept C113196181 @default.
- W4386601070 hasConcept C115958267 @default.
- W4386601070 hasConcept C121332964 @default.
- W4386601070 hasConcept C147597530 @default.
- W4386601070 hasConcept C147789679 @default.
- W4386601070 hasConcept C150394285 @default.
- W4386601070 hasConcept C178790620 @default.
- W4386601070 hasConcept C185592680 @default.
- W4386601070 hasConcept C36591836 @default.
- W4386601070 hasConcept C518851703 @default.
- W4386601070 hasConcept C59593255 @default.
- W4386601070 hasConcept C69357855 @default.
- W4386601070 hasConcept C97355855 @default.
- W4386601070 hasConceptScore W4386601070C112825004 @default.
- W4386601070 hasConceptScore W4386601070C113196181 @default.
- W4386601070 hasConceptScore W4386601070C115958267 @default.
- W4386601070 hasConceptScore W4386601070C121332964 @default.
- W4386601070 hasConceptScore W4386601070C147597530 @default.
- W4386601070 hasConceptScore W4386601070C147789679 @default.
- W4386601070 hasConceptScore W4386601070C150394285 @default.
- W4386601070 hasConceptScore W4386601070C178790620 @default.
- W4386601070 hasConceptScore W4386601070C185592680 @default.
- W4386601070 hasConceptScore W4386601070C36591836 @default.
- W4386601070 hasConceptScore W4386601070C518851703 @default.
- W4386601070 hasConceptScore W4386601070C59593255 @default.
- W4386601070 hasConceptScore W4386601070C69357855 @default.
- W4386601070 hasConceptScore W4386601070C97355855 @default.
- W4386601070 hasFunder F4320321001 @default.
- W4386601070 hasIssue "9" @default.
- W4386601070 hasLocation W43866010701 @default.
- W4386601070 hasOpenAccess W4386601070 @default.
- W4386601070 hasPrimaryLocation W43866010701 @default.
- W4386601070 hasRelatedWork W1974115874 @default.
- W4386601070 hasRelatedWork W2011719820 @default.
- W4386601070 hasRelatedWork W2039323499 @default.
- W4386601070 hasRelatedWork W2055455060 @default.
- W4386601070 hasRelatedWork W2133927615 @default.
- W4386601070 hasRelatedWork W2347317756 @default.
- W4386601070 hasRelatedWork W2365054773 @default.
- W4386601070 hasRelatedWork W2603903893 @default.
- W4386601070 hasRelatedWork W3198455635 @default.
- W4386601070 hasRelatedWork W4293519354 @default.
- W4386601070 hasVolume "6" @default.
- W4386601070 isParatext "false" @default.
- W4386601070 isRetracted "false" @default.
- W4386601070 workType "article" @default.