A lattice Boltzmann approach for free-surface-flow simulations on non-uniform block-structured grids

In this paper, we present a hybrid volume-of-fluid-based algorithm for the simulation of free-surface-flow problems. For the solution of the flow field, the lattice Boltzmann method is used. The additional advection equation for the volume-of-fluid (VOF) fill level is discretized with a classical finite volume method. For the interface reconstruction, a piecewise linear interface reconstruction in 3D has been implemented. The free-surface-tracking algorithm is embedded into the 3D, non-uniform, lattice-Boltzmann-based solver VirtualFluids; Freudiger et al. (2009) [1], Freudiger (2009) [2]. The advection algorithm is verified and validated with well-known advection test cases. For the validation of the free-surface algorithm, we present simulations of a breaking-dam benchmark.     

Ant Colony Optimization and the minimum spanning tree problem

Ant Colony Optimization (ACO) is a kind of metaheuristic that has become very popular for solving problems from combinatorial optimization. Solutions for a given problem are constructed by a random walk on a so-called construction graph. This random walk can be influenced by heuristic information about the problem. In contrast to many successful applications, the theoretical foundation of this kind of metaheuristic is rather weak. Theoretical investigations with respect to the runtime behavior of ACO algorithms have been started only recently for the optimization of pseudo-Boolean functions.We present the first comprehensive rigorous analysis of a simple ACO algorithm for a combinatorial optimization problem. In our investigations, we consider the minimum spanning tree (MST) problem and examine the effect of two construction graphs with respect to the runtime behavior. The choice of the construction graph in an ACO algorithm seems to be crucial for the success of such an algorithm. First, we take the input graph itself as the construction graph and analyze the use of a construction procedure that is similar to Broder’s algorithm for choosing a spanning tree uniformly at random. After that, a more incremental construction procedure is analyzed. It turns out that this procedure is superior to the Broder-based algorithm and produces additionally in a constant number of iterations an MST, if the influence of the heuristic information is large enough.     

Multi-rate optimizing control of simulated moving beds

This paper presents an optimizing control scheme for simulated moving beds (SMB) that enables to incorporate multi-rate (MR) sampled measurements into the control and estimation problem in a clear and transparent manner. This is particularly relevant for chiral separations where online monitoring requires the combination of various analytical techniques that may operate on widely varying time scales. An MR periodic linear time-varying (PLTV) model is derived for the SMB process. The cyclic nature of the process is exploited by formulating the MR-PLTV model within a repetitive model predictive control framework. Simulation results for the chiral separation of the guaifenesin enantiomers are presented. The proposed multi-rate controller is able to deliver increased productivity while respecting the process and product specifications.     

An outer shell of positively charged poly(ethyleneimine) strongly increases the transfection efficiency of calcium phosphate/DNA nanoparticles

Nanoparticles with an inner core of calcium phosphate, followed by layers of DNA and calcium phosphate and an outer layer of poly(ethyleneimine) (PEI) were prepared, characterized, and tested on different cell lines (HeLa, T24, and NIH3T3). A considerable increase in transfection efficiency was found for such nanoparticles, compared to the commercial reagent Polyfect^® (a cationic dendrimer). The DNA is incorporated into the nanoparticles and protected from the attack by enzymes (nucleases) inside the cytoplasm of cells. The outer layer of PEI leads to electrosteric colloidal stabilization and gives a positive charge to the nanoparticle, which is helpful for the penetration through the negatively charged cell membrane.     

The Influence of an Acid-base-equilibrium on the Adsorption Behaviour of a Weak Polyampholyte

A weak diblock polyampholyte PMAA-b-PDMAEMA, poly(methacrylic acid)-block-poly((dimethylamino)ethyl methacrylate), was investigated as a model system for the influence of an acid-base-equilibrium of a phthalic acid buffer system on the polyelectrolyte adsorption behaviour. The adsorption of polyampholyte from aqueous solution onto silicon surfaces is known to be strongly influenced by the parameters of the polymer solution and the properties of the polyampholyte itself like block ratio or molecular weight. In the case of the investigated polyampholytes, the main parameter with the most significant influence on the adsorption is the pH. The big influence of pH on adsorption results from the charges of the polymer chains and the substrate, which are determined by the pH. Therefore, it should be useful to investigate the influence of a buffer system on the polyampholyte adsorption. On the one hand the buffer system enables to determine the pH of the aqueous polyampholyte solution more precisely. On the other hand the concentrations of different phthalic species like the phthalic acid, the hydrogen phthalate and the phthalate are strongly influenced by pH. These different species were observed to have a strong influence on the adsorption behaviour of the polyampholyte, so the adsorption as function of pH was observed to be also determined by the acid-base-equilibrium of the buffer system. The adsorbed amount of polyampholyte dried after the adsorption process was determined using ellipsometry, while the surface topography of these adsorbed layers were characterized by atomic force microscopy (AFM). This revised version was published online in July 2006 with corrections to the Cover Date.