Abstract

This study investigates the dielectric properties of H₂O in relation to both the number of molecules and the cutoff radius within the simulation cell. We employ the flexible FBA/ε water model, known for its improved accuracy in reproducing water’s properties across various thermodynamic states. We range from 60 to 1372 molecules and use cutoff radius from 6 nm to 1.2 nm, encompassing a wide range of calculations to assess their impact on the simulation results. These evaluations extend to critical properties like the dielectric constant, density, and phase change enthalpy.

Abstract

This study investigates the dielectric properties of H₂O in relation to both the number of molecules and the cutoff radius within the simulation cell. We employ the flexible FBA/ε water model, known for its improved accuracy in reproducing water’s properties across various thermodynamic states. We range from 60 to 1372 molecules and use cutoff radius from 6 nm to 1.2 nm, encompassing a wide range of calculations to assess their impact on the simulation results. These evaluations extend to critical properties like the dielectric constant, density, and phase change enthalpy.

Abstract

This study investigates the dielectric properties of H₂O in relation to both the number of molecules and the cutoff radius within the simulation cell. We employ the flexible FBA/ε water model, known for its improved accuracy in reproducing water’s properties across various thermodynamic states. We range from 60 to 1372 molecules and use cutoff radius from 6 nm to 1.2 nm, encompassing a wide range of calculations to assess their impact on the simulation results. These evaluations extend to critical properties like the dielectric constant, density, and phase change enthalpy.

Abstract

This study investigates the dielectric properties of H₂O in relation to both the number of molecules and the cutoff radius within the simulation cell. We employ the flexible FBA/ε water model, known for its improved accuracy in reproducing water’s properties across various thermodynamic states. We range from 60 to 1372 molecules and use cutoff radius from 6 nm to 1.2 nm, encompassing a wide range of calculations to assess their impact on the simulation results. These evaluations extend to critical properties like the dielectric constant, density, and phase change enthalpy.