Structural properties and phase behavior in colloidal suspensions

colloid;computer simulation;nanoparticle;Monte Carlo;molecular dynamics

Barr, Stephen A.

关键词: colloid;    computer simulation;    nanoparticle;    Monte Carlo;    molecular dynamics;   

Others  :  https://www.ideals.illinois.edu/bitstream/handle/2142/16778/1_Barr_Stephen.pdf?sequence=2&isAllowed=y

美国|英语

来源: The Illinois Digital Environment for Access to Learning and Scholarship

【 摘 要 】

In this dissertation I present my research on the effective interactions of colloidal particles induced by asmaller species, as well as the structure of colloidal particles undergoing freeze casting. In this research Ihave used a wide variety of computational techniques in order to understand these systems.Specifically, in Chapter 2 I study nanoparticle haloing in a system of silica microspheres and highlycharged polystyrene nanoparticles. Computer simulations are employed to determine the effective microsphere–microsphere potential induced by the nanoparticles. From these simulations I am also able to determine thedegree of nanoparticle adsorption on the microsphere surface.In Chapter 3 I investigate the depletion interaction in a system of charged microspheres and rigid rods.The effect of both rod concentration and screening length is explored.In Chapter 4 I study the effective interactions between charged colloids in the presence of multivalentcounterions. The role of colloid charge is investigated and the onset of like-charged attraction is determinedand compared with theoretical predictions. In order to study this system, I extended the geometric clusteralgorithm to efficiently simulate systems interacting through the Coulomb potential.In Chapter 5 computer simulations are employed to elucidate the experimentally observed crystal phasesof the Qand MS-2 virus particles in solution with multivalent salt and non-adsorbing polymer.Freeze casting is studied in Chapter 6. In this process colloidal particles are pushed by an advancingice front. I use molecular dynamics simulations to study the dynamics of the colloidal particles and theresulting structures formed.iii