2009/02/11 by Kai Grass, Christian Holm, Gary W. Slater
Chemistry · Engineering · Physics and Astronomy · #Drag #Drag coefficient #Drag equation #Electrophoresis #Electrostatics and Colloid Interactions #Lattice Boltzmann Simulation Studies #Lattice Boltzmann methods #Mesoscopic physics #Microfluidic and Capillary Electrophoresis Applications #Monomer #Parasitic drag #cond-mat.soft
paper · pdf · doi:10.1021/ma9003067
32 pages, 11 figures, submitted to Macromolecules
arxiv created 2009/02/11 · openalex publication_date 2009/06/19 · arxiv updated 2015/05/12 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
We study the electrophoretic separation of polyelectrolytes of varying lengths by means of end-labeled free-solution electrophoresis (ELFSE). A coarse-grained molecular dynamics simulation model, using full electrostatic interactions and a mesoscopic Lattice Boltzmann fluid to account for hydrodynamic interactions, is used to characterize the drag coefficients of different label types: linear and branched polymeric labels as well as transiently bound micelles. It is specifically shown that the label’s drag coefficient is determined by its hydrodynamic size and that the drag per label monomer is largest for linear labels. However, the addition of side chains to a linear label offers the possibility to increase the hydrodynamic size, and therefore the label efficiency, without having to increase the linear length of the label, thereby simplifying synthesis. The third class of labels investigated, transiently bound micelles, seems very promising for the usage in ELFSE, as they provide a significant higher hydrodynamic drag than the other label types. The results are compared to theoretical predictions, and we investigate how the efficiency of the ELFSE method can be improved by using smartly designed drag tags.