Removal of aspirin from aqueous solutions using graphitic carbon nitride nanosheet: Theoretical and experimental studies
作者: Mahdieh ChegeniZahra MousaviMousa SoleymaniSara Dehdashtian
作者单位: 1Department of Chemistry, Ayatollah Boroujerdi University, Boroujerd, Iran
2Department of Mechanical Engineering, Shohadaye Hoveizeh University of Technology, Susangerd, Iran
刊名: Diamond & Related Materials, 2020, Vol.101
来源数据库: Elsevier Journal
DOI: 10.1016/j.diamond.2019.107621
关键词: Graphitic carbon nitride nanosheetAdsorptionAcetylsalicylateDFTQuantum Espresso
英文摘要: Abstract(#br)This study evaluates the adsorption of acetylsalicylate (aspirin) from aqueous solution on the surface of graphitic carbon nitride nanosheet (g-C 3 N 4 ). We have considered both theoretical and experimental studies about the aspirin removal. In the experimental study, the effect of pH, aspirin and adsorbent doses, temperature, time and degradation under visible light were considered. The adsorption is an endothermic process and follows from the Langmuir's model. In the theoretical study, the graphitic carbon nitride nanosheet as an interesting material investigated by first-principle calculations, the Quantum Espresso package. Optimized geometric of the g-C 3 N 4 nanosheet, adsorption energy Eads , HOMO and LUMO energies, band gap energy Eg , E FL and DOS as well as PDOS...
全文获取路径: Elsevier  (合作)
影响因子:1.709 (2012)

  • graphitic 石墨的
  • nitride 氮化物
  • carbon 
  • aspirin 阿司匹林
  • Adsorption 吸附
  • experimental 实验的
  • aqueous 水的
  • DFT Diagnostic Function Test