Prediction of diffusion coefficients of chlorophenols in water by computer simulation

Intra-diffusion coefficients of seven chlorophenols (2-chlorophenol, 3-chlorophenol, 4-chlorophenol, 2,4-dichlorophenol, 2,6-dichlorophenol, 2,4,6-dichlorophenol and pentachlorophenol) in water were determined by computer simulation (molecular dynamics) for dilute solutions at three different temper...

ver descrição completa

Detalhes bibliográficos
Autor principal: Martins, Luís F. G. (author)
Outros Autores: Parreira, M. Cristina B. (author), Prates Ramalho, João P. (author), Morgado, Pedro (author), Filipe, Eduardo J. M. (author)
Formato: article
Idioma:eng
Publicado em: 2016
Assuntos:
Texto completo:http://hdl.handle.net/10174/16695
País:Portugal
Oai:oai:dspace.uevora.pt:10174/16695