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...

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Bibliographic Details
Main Author: Martins, Luís F. G. (author)
Other Authors: Parreira, M. Cristina B. (author), Prates Ramalho, João P. (author), Morgado, Pedro (author), Filipe, Eduardo J. M. (author)
Format: article
Language:eng
Published: 2016
Subjects:
Online Access:http://hdl.handle.net/10174/16695
Country:Portugal
Oai:oai:dspace.uevora.pt:10174/16695