Department of Chemical Engineering, National Taiwan University, Taipei, Taiwan 10617.
J Phys Chem B. 2010 Mar 4;114(8):2766-78. doi: 10.1021/jp907696t.
The diffusiophoresis of a charge-regulated spherical particle normal to two parallel disks as a response to an applied uniform electrolyte concentration gradient is modeled theoretically. The fixed charge on the particle surface comes from the dissociation/association reactions of the functional groups, yielding a charge-regulated surface, which simulates biological cells. Numerical simulations are conducted to examine the behavior of a particle under various conditions: the parameters considered in the simulation include the thickness of the double layer, the charged conditions on the particle surface, the relative size of the particle, and the particle-disk distance. Because the diffusiophoretic mobility of a particle can be dominated by chemiphoresis, electrophoresis, or osmotic flow, the diffusiophoretic behavior of the particle is complicated. For instance, the diffusiophoretic mobility may have two local maximums and a local minimum as the thickness of the double layer varies. This behavior is of practical significance if diffusiophoresis is adopted as a separation operation or as a tool to characterize the surface properties of a particle.
理论上构建了球形粒子在垂直于两个平行圆盘的方向上的扩散迁移模型,以响应外加均匀电解质浓度梯度。粒子表面的固定电荷来自于官能团的离解/缔合反应,产生一个模拟生物细胞的电荷调节表面。数值模拟研究了各种条件下粒子的行为:模拟中考虑的参数包括双电层的厚度、粒子表面的带电情况、粒子的相对大小和粒子-圆盘的距离。由于粒子的扩散迁移率可能由化学泳动、电泳或渗透流主导,因此粒子的扩散迁移行为很复杂。例如,当双电层的厚度变化时,粒子的扩散迁移率可能会出现两个局部最大值和一个局部最小值。如果扩散迁移被用作分离操作或作为表征粒子表面特性的工具,这种行为具有实际意义。