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Simulation of the diffusion of endocrine disrupting compounds in silicalite by molecular dynamics

Keyword:

benzene, nonylphenol, Zeolite, BPA, diffusion, Simulation, water, phenol, toluene, Molecular Dynamics, bisphenol-A, and neopentane

Creator:

Gabry, Thomas Jacques Andre

Advisor:

Deskins, N Aaron

Publisher:

Worcester Polytechnic Institute

Date Created:

2012-04-26

Resource Type:

Thesis

Degree:

MS

Unit (Department):

Chemical Engineering