COLL 333 |
| Zhidong Li and Jianzhong Wu. Department of Chemical and Environmental Engineering, University of California, Riverside, 900 University Ave., Riverside, CA 92521 |
| There has been a great interest in studying the thermodynamics and structures of asymmetric electrolyte-neutral species mixtures which simulate a crowded, neutral environment of the cell, relevant to many crowding reaction processes in biological systems and technological applications. Different theories such as the symmetric Poisson-Boltzmann equation, the modified Posson-Boltzmann equation and the hypernetted chain approximation have been applied to this solution within restricted primitive model. In this work, a density functional theory was extended to such fluids for the first time. A modified fundamental measure theory and a quadratic functional Taylor expansion are combined together to derive the excess Helmholtz energy functional for hard-sphere repulsion and electrostatic interactions. The theoretical predications are in quite excellent agreement with the computer simulations for a wide range of solution conditions. Our density functional theory also can predict the attractive forces appearing between like-charged ions at some critical solution conditions. |
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Bio-Colloids
2:00 PM-4:40 PM, Tuesday, March 30, 2004 Marriott -- Orange County 3, Oral
Division of Colloid and Surface Chemistry |