Free energy Molecular dynamics Molecular dynamics simulations Molecules Chain-like molecules Ciencias Exactas Conformations Dissolution Dissolution process Física Interface states Interfacial water Kremer-Grest bead-spring model Liquid-vapor interface Long chain alkane Methane Methane molecules Molecular configurations Molecular conformation Molecular orientation PENSAMIENTOS Paraffins Partially immersed Phase interfaces Química RELIGION Radius of gyration Thermodynamic state Time windows Umbrella sampling