Surface effect on the electromelting behavior of nanoconfined water.
Phys Chem Chem Phys
; 17(35): 23147-54, 2015 Sep 21.
Article
en En
| MEDLINE
| ID: mdl-26278061
ABSTRACT
Electric field induced phase transitions of confined water have an important role in cryopreservation and electrocrystallization. In this study, the structural and dynamical properties of nano-confined water in nano-slit pores under the influence of an electric field varying from 0 to 10 V nm(-1) are investigated under ambient conditions using molecular dynamics simulations. In order to replicate the nature of different materials, a systematic approach is adopted, including pore-size and lattice constant variations in different lattice arrangements viz., triangular, square and hexagonal, with hydrophilic and hydrophobic surface-fluid interactions. The structural behavior of water is investigated using radial distribution functions, bond order parameters and hydrogen bond calculations; the dynamical properties are analyzed using lateral and rotational diffusivity calculations. The lateral diffusivity with increasing electric field E increases by order(s) of magnitude during electromelting. The pore-size, lattice constant, lattice arrangement and hydrophobic/hydrophilic nature of the pore surface strongly influence the electromelting behavior for E≤â¼7 V nm(-1). Higher values of lattice constants and/or hydrophobic pores enhance the electromelting behavior of nanoconfined water.
Texto completo:
1
Colección:
01-internacional
Banco de datos:
MEDLINE
Asunto principal:
Agua
/
Nanoestructuras
Idioma:
En
Revista:
Phys Chem Chem Phys
Asunto de la revista:
BIOFISICA
/
QUIMICA
Año:
2015
Tipo del documento:
Article
País de afiliación:
India