The dynamic properties of electrolytes in nanopores were studied using the equilibrium and non-equilibrium molecular dynamic simulations. The realistic primitive model and the restrictive primitive models that were widely used in liquid state theory were applied to the electrolyte model. The electrolytic ions that were found to be immersed in the water were treated as dielectric continuum or macroscopic dielectric continuum. Simulation studies for the discrete solvent primitive model were performed and detailed analysis of the characteristics of the ion radial density functions was done.published_or_final_versio
The pressure-driven electrolyte transport through nanofiltration membrane pores with constant surfac...
© 2020 Peiyao WangAqueous electrolytes confined in nanoporous materials are involved in many biologi...
The transport and structure of room-temperature ionic liquids (RTILs) in conical nanopores under ext...
Equilibrium and nonequilibrium molecular dynamics simulations are performed to calculate the diffusi...
The diffusion of binary aqueous electrolytes through nanopores with dielectric as well as conductive...
Behaviour of electrolytes confined in cylindrical and slit pores are studied by computer simulations...
The frequency dependence of electrical conductivity in a 0.1 molar univalent restricted primitive mo...
Equilibrium (HMD) and nonequilibrium molecular dynamics (NEMD) simulations were conducted to investi...
International audienceMolecular Dynamics simulations are used to investigate the structure and dynam...
Dielectric behavior of electrolyte aqueous solutions with various concentrations in a cylindrical na...
Molecular dynamics (MD) simulations of electrophoretic transport of monovalent ions through field-st...
The distribution of water and ions in nanoporous membranes, in particular close to their surfaces wi...
Ion transport through nanopores is a process of fundamental significance in nature and in engineerin...
Molecular Dynamics simulations are used to investigate the structure and dynamics of an aqueous elec...
Molecular dynamics (MD) simulations of electrophoretic transport of monovalent ions through field-st...
The pressure-driven electrolyte transport through nanofiltration membrane pores with constant surfac...
© 2020 Peiyao WangAqueous electrolytes confined in nanoporous materials are involved in many biologi...
The transport and structure of room-temperature ionic liquids (RTILs) in conical nanopores under ext...
Equilibrium and nonequilibrium molecular dynamics simulations are performed to calculate the diffusi...
The diffusion of binary aqueous electrolytes through nanopores with dielectric as well as conductive...
Behaviour of electrolytes confined in cylindrical and slit pores are studied by computer simulations...
The frequency dependence of electrical conductivity in a 0.1 molar univalent restricted primitive mo...
Equilibrium (HMD) and nonequilibrium molecular dynamics (NEMD) simulations were conducted to investi...
International audienceMolecular Dynamics simulations are used to investigate the structure and dynam...
Dielectric behavior of electrolyte aqueous solutions with various concentrations in a cylindrical na...
Molecular dynamics (MD) simulations of electrophoretic transport of monovalent ions through field-st...
The distribution of water and ions in nanoporous membranes, in particular close to their surfaces wi...
Ion transport through nanopores is a process of fundamental significance in nature and in engineerin...
Molecular Dynamics simulations are used to investigate the structure and dynamics of an aqueous elec...
Molecular dynamics (MD) simulations of electrophoretic transport of monovalent ions through field-st...
The pressure-driven electrolyte transport through nanofiltration membrane pores with constant surfac...
© 2020 Peiyao WangAqueous electrolytes confined in nanoporous materials are involved in many biologi...
The transport and structure of room-temperature ionic liquids (RTILs) in conical nanopores under ext...