Výsledky vyhledávání - "Batista, A. J."

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Flow through deformed carbon nanotubes predicted by rigid and flexible water models

Autor: Mendonça, Bruno H. S., de Moraes, Elizane E., Kirch, Alexsandro, Batista, Ronaldo J. C., de Oliveira, Alan B., Barbosa, Marcia C., Chacham, Hélio

In this study, using non-equilibrium molecular dynamics simulation, the flow of water in deformed carbon nanotubes is studied for two water models TIP4P/2005 and SPC/FH. The results demonstrated a non-uniform dependence of the flow on the tube deform

Externí odkaz: http://arxiv.org/abs/2305.01824

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Water diffusion in carbon nanotubes for rigid and flexible models

Autor: Mendonça, Bruno H. S., de Moraes, Elizane E., Batista, Ronaldo J. C., de Oliveira, Alan B., Barbosa, Marcia C., Chacham, Hélio

We compared the diffusion of water confined in armchair and zigzag carbon nanotubes for rigid and flexible water models. Using one rigid model, TIP4P/2005, and two flexible models, SPC/Fw and SPC/FH, we found that the number of the number of hydrogen

Externí odkaz: http://arxiv.org/abs/2301.09000

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