화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.107, No.41, 8623-8629, 2003
Investigation of particle-molecule interactions by use of a dielectric continuum model
We develop a model that describes a molecule interacting with an aerosol particle using a modified heterogeneous solvation model. The particle is represented as a dielectric medium characterized by a macroscopic dielectric constant. The dielectric constant depends on average composition and temperature. We utilize the model to investigate the interactions between an aqueous particle and a succinic acid molecule. We show how interaction energies and linear response properties depend on the orientation of the organic dicarboxylic acid relative to the particle surface and on the dielectric properties of the particle. The long-term goal of our work is the calculation of sticking coefficients.