화학공학소재연구정보센터
Journal of Chemical Physics, Vol.105, No.16, 7184-7191, 1996
Interaction Between Macroparticles in a Simple-Model System of a Nonpolar Liquid Containing Trace Amounts of Water
We report results of numerical analyses on the macroparticle interactions immersed in a simple model system of nonpolar liquid containing trace amounts of water. The singlet Ornstein-Zernike approach with the reference hypernetted-chain closures is employed. Particles of component 1 (water) are characterized by strong attractive interaction among them, those of component 2 (nonpolar liquid) are hard spheres, and particles of different components interact through hard-sphere potential. The mole fraction of component 1 x(1) is very small. Beyond x(1)=x(1P), the mixture cannot exist, even in the metastable state with a single phase. Some affinity is considered only between the macroparticle surface and component 1. When the affinity xi (negative xi implies repulsion) is increased with fixing x(1) (at a value significantly smaller than x,,) and the macroparticle diameter d(M), the macroparticle interaction phi(MM) shifts to the lower (more attractive) side and eventually becomes extremely long-ranged and divergent. For larger x(1), the divergence occurs at lower xi. Whenever phi(MM), becomes divergent, the reduced density profile of component 1 near the surface also becomes extremely long-ranged and divergent. The effects of d(M) on phi(MM) is also analyzed. At the stability limit (x(1)-->x(1p)), the divergences occur irrespective of xi and d(M), which is consistent with the recent prediction [Attard et al., Phys. Rev. A 45, 7621 (1992)].