title: Molecular dynamics of a model dimerizing fluid.
abstract: A model dimer forming fluid has been investigated by continuous molecular dynamics simulations. This study emphasizes the volume fraction and temperature dependence of the dynamic properties of the system, including the self and collective diffusion coefficients and the forward and reverse rate constants. The self and collective diffusion coefficients are found to be well described by a monomer fraction controlled interpolation formula. The forward rate constant (dimer formation) is found to be weakly temperature dependent and strongly volume fraction dependent. The opposite holds for the reverse rate constant. The dimer and monomer decay rates are not found to affect the intermediate scattering functions at the conditions studied.
authors: NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, USA.
authors: C E
authors: CE
authors: Bertrand
authors: NIST Center for Neutron Research, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, USA.
authors: Y
authors: Y
authors: Liu