Surfactant desorption and scission free energies for cylindrical and spherical micelles from umbrella-sampling molecular dynamics simulations
Boyao Wen, Bofeng Bai, Ronald G. Larson
Topics & Concepts
MicellePulmonary surfactantChemistryDesorptionUmbrella samplingKineticsMolecular dynamicsAdsorptionAnalytical Chemistry (journal)Physical chemistryOrganic chemistryComputational chemistryAqueous solutionBiochemistryPhysicsQuantum mechanicsSurfactants and Colloidal SystemsSpectroscopy and Quantum Chemical StudiesAnalytical Chemistry and Chromatography