Influence of asphaltene modification on structure of p3ht/asphaltene blends: molecular dynamics simulations

HIGHLIGHTS

  • who: Natalia Borzdun and collaborators from the Institute of Macromolecular Compounds, Russian Academy of Sciences, Bolshoi pr, (VO.), Faculty of Physics, St. Petersburg State University, Ulyanovskaya str., Peterhof have published the research work: Influence of Asphaltene Modification on Structure of P3HT/Asphaltene Blends: Molecular Dynamics Simulations, in the Journal: Nanomaterials 2022, 2867 of /2022/
  • what: The aim of this study was to investigate the structure and concentration effects in the blends of P3HT with asphaltenes. The authors prefer use unmodified GAFF parameters, taking taking into account the following reasons.
  • how: In that work . . .

     

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