Computational Chemistry Approach to Interpret the Crystal Violet Adsorption on Golbasi Lignite Activated Carbon
Küçük Resim Yok
Tarih
2016
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Iop Publishing Ltd
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
In this paper, adsorption mechanism of Crystal Violet (CV) dye from the aqueous solution on the activated carbon prepared from Golbasi lignite was explained and interpreted by a computational chemistry approach and experimental studies. Molecular dynamic simulations and Ab initio frontier orbital analysis indicated relatively high energy and electron transfer processes during adsorption, and molecular dynamics simulations showed CV dye molecules moving around on the activated carbon surface after adsorption, facilitating penetration into cracks and pores. The experimental results supported to molecular dynamic simulation and showed that the monolayer coverage occurred on the activated carbon surface and each CV dye ion had equal sorption activation energy.
Açıklama
World Multidisciplinary Earth Sciences symposium (WMESS) -- SEP 05-09, 2016 -- Prague, CZECH REPUBLIC
Anahtar Kelimeler
[No Keywords]
Kaynak
World Multidisciplinary Earth Sciences Symposium (Wmess 2016), Pts 1-4
WoS Q Değeri
N/A
Scopus Q Değeri
N/A
Cilt
44
