FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4366416051> ?p ?o ?g. }

• W4366416051 endingPage "135613" @default.
• W4366416051 startingPage "135613" @default.
• W4366416051 abstract "With the continuous consumption of medium/high-rank coal and increasing energy shortage, the conversion and utilization of low-rank coal is gaining attention. A rational molecular model of coal combined with reaction molecular dynamics (ReaxFF MD) is becoming a promising way to explore coal conversion processes at the molecular level. In this work, a molecular structure model of tar-rich coal from northern Shaanxi, China, with the molecular formula C355H332O57N4S was proposed by combining experimental characterization tests and theoretical computational analysis. In addition, the molecular model was validated by calculating FTIR and 13C NMR spectra with quantum chemistry. Furthermore, complex multi-molecule systems were constructed based on the single-molecule model, the effect of heating rates on the pyrolysis process was investigated by ReaxFF MD simulations, and the evolution of pyrolysis process and products were analyzed in detail. The results show that a slower heating rate helps to obtain more gas products, inhibit the condensation reaction between tar fragments, and promote their cracking, more light tars could be obtained. The combination of experimental characterization and theoretical calculations provides a comprehensive understanding of the molecular structure and pyrolysis processes of tar-rich coal, and provides a basis for an in-depth study of the structure of low-rank coal and its clean utilization technologies." @default.
• W4366416051 created "2023-04-21" @default.
• W4366416051 creator A5005109514 @default.
• W4366416051 creator A5078608024 @default.
• W4366416051 creator A5079595728 @default.
• W4366416051 date "2023-08-01" @default.
• W4366416051 modified "2023-09-27" @default.
• W4366416051 title "Study on the molecular structure model of tar-rich coal and its pyrolysis process" @default.
• W4366416051 cites W1974756875 @default.
• W4366416051 cites W1977050700 @default.
• W4366416051 cites W1979564341 @default.
• W4366416051 cites W1979680610 @default.
• W4366416051 cites W1980562158 @default.
• W4366416051 cites W1980637262 @default.
• W4366416051 cites W1986385832 @default.
• W4366416051 cites W1995856287 @default.
• W4366416051 cites W2006920745 @default.
• W4366416051 cites W2009299564 @default.
• W4366416051 cites W2010611481 @default.
• W4366416051 cites W2043716537 @default.
• W4366416051 cites W2056741888 @default.
• W4366416051 cites W2065809064 @default.
• W4366416051 cites W2068139275 @default.
• W4366416051 cites W2079348356 @default.
• W4366416051 cites W2081119195 @default.
• W4366416051 cites W2081960728 @default.
• W4366416051 cites W2087818143 @default.
• W4366416051 cites W2090702878 @default.
• W4366416051 cites W2126685949 @default.
• W4366416051 cites W2152029474 @default.
• W4366416051 cites W2186493269 @default.
• W4366416051 cites W2234928466 @default.
• W4366416051 cites W2293839363 @default.
• W4366416051 cites W2316989150 @default.
• W4366416051 cites W2319431066 @default.
• W4366416051 cites W2491347346 @default.
• W4366416051 cites W2745872827 @default.
• W4366416051 cites W2781743522 @default.
• W4366416051 cites W2792404733 @default.
• W4366416051 cites W2804601158 @default.
• W4366416051 cites W2807344381 @default.
• W4366416051 cites W2810609661 @default.
• W4366416051 cites W2917534450 @default.
• W4366416051 cites W2965692116 @default.
• W4366416051 cites W2979453106 @default.
• W4366416051 cites W3016059883 @default.
• W4366416051 cites W3047321463 @default.
• W4366416051 cites W3097510768 @default.
• W4366416051 cites W3162307219 @default.
• W4366416051 cites W3183286575 @default.
• W4366416051 cites W3199703115 @default.
• W4366416051 cites W4200199136 @default.
• W4366416051 cites W4200390340 @default.
• W4366416051 cites W4205896911 @default.
• W4366416051 cites W4210507566 @default.
• W4366416051 cites W4221106475 @default.
• W4366416051 cites W4225160877 @default.
• W4366416051 cites W4281615291 @default.
• W4366416051 cites W4283660021 @default.
• W4366416051 cites W4285797221 @default.
• W4366416051 cites W4285891041 @default.
• W4366416051 doi "https://doi.org/10.1016/j.molstruc.2023.135613" @default.
• W4366416051 hasPublicationYear "2023" @default.
• W4366416051 type Work @default.
• W4366416051 citedByCount "1" @default.
• W4366416051 countsByYear W43664160512023 @default.
• W4366416051 crossrefType "journal-article" @default.
• W4366416051 hasAuthorship W4366416051A5005109514 @default.
• W4366416051 hasAuthorship W4366416051A5078608024 @default.
• W4366416051 hasAuthorship W4366416051A5079595728 @default.
• W4366416051 hasConcept C147597530 @default.
• W4366416051 hasConcept C171250308 @default.
• W4366416051 hasConcept C178790620 @default.
• W4366416051 hasConcept C185592680 @default.
• W4366416051 hasConcept C192562407 @default.
• W4366416051 hasConcept C192643346 @default.
• W4366416051 hasConcept C199360897 @default.
• W4366416051 hasConcept C2776372370 @default.
• W4366416051 hasConcept C2776653683 @default.
• W4366416051 hasConcept C2779554610 @default.
• W4366416051 hasConcept C2780841128 @default.
• W4366416051 hasConcept C32909587 @default.
• W4366416051 hasConcept C36759035 @default.
• W4366416051 hasConcept C41008148 @default.
• W4366416051 hasConcept C518851703 @default.
• W4366416051 hasConcept C59593255 @default.
• W4366416051 hasConceptScore W4366416051C147597530 @default.
• W4366416051 hasConceptScore W4366416051C171250308 @default.
• W4366416051 hasConceptScore W4366416051C178790620 @default.
• W4366416051 hasConceptScore W4366416051C185592680 @default.
• W4366416051 hasConceptScore W4366416051C192562407 @default.
• W4366416051 hasConceptScore W4366416051C192643346 @default.
• W4366416051 hasConceptScore W4366416051C199360897 @default.
• W4366416051 hasConceptScore W4366416051C2776372370 @default.
• W4366416051 hasConceptScore W4366416051C2776653683 @default.
• W4366416051 hasConceptScore W4366416051C2779554610 @default.
• W4366416051 hasConceptScore W4366416051C2780841128 @default.
• W4366416051 hasConceptScore W4366416051C32909587 @default.

• next