Ion exchange kinetics of the protonation of weak acid ion exchange resins

A mathematical model to describe the protonation of weak acid ion-exchange resins with various acids has been developed. The charge profiles calculated using the theory are demonstrated by photographs. Interdiffusion coefficients in the resin phase have been determined and it is shown how they depend on the system parameters and on the properties of the resin.     

On the nature of the active state of silver during catalytic oxidation of methanol

Under the applied high reaction temperatures (900 K) the Ag surface is restructured and a tightly held oxygen species is formed on the surface (O) apart from O atoms dissolved in the bulk (O). Methanol oxidation to formaldehyde proceeds through this O species as demonstrated by application of a variety of spectroscopic techniques.     

Continuous Levels‐of‐Detail and Visual Abstraction for Seamless Molecular Visualization

Molecular visualization is often challenged with rendering of large molecular structures in real time. We introduce a novel approach that enables us to show even large protein complexes. Our method is based on the level‐of‐detail concept, where we exploit three different abstractions combined in one visualization. Firstly, molecular surface abstraction exploits three different surfaces, solvent‐excluded surface (SES), Gaussian kernels and van der Waals spheres, combined as one surface by linear interpolation. Secondly, we introduce three shading abstraction levels and a method for creating seamless transitions between these representations. The SES representation with full shading and added contours stands in focus while on the other side a sphere representation of a cluster of atoms with constant shading and without contours provide the context. Thirdly, we propose a hierarchical abstraction based on a set of clusters formed on molecular atoms. All three abstraction models are driven by one importance function classifying the scene into the near‐, mid‐ and far‐field. Moreover, we introduce a methodology to render the entire molecule directly using the A‐buffer technique, which further improves the performance. The rendering performance is evaluated on series of molecules of varying atom counts.     

Study of rotational mobility of stable nitroxide radicals in solid polymers

The rotational mobility of stable nitroxide radicals in PS, PMMA, PVC, PP and PE has been studied over a wide temperature range by the e.s.r. method. At temperatures T lower than T_g, spin probes act as kinetically independent particles, the rotational frequency of which is deter mined mainly by the micropore dimensions of the polymer and depends indirectly on the mobility of segments or side groups.     

13C- and 23Na-NMR investigations on alkali cellulose

Summary Solid state ²³Na- and ¹³C-NMR spectra of alkali cellulose are presented as a function of NaOH-concentration of the steeping lye, steeping temperature and amount of adhering lye (press factor). Results are discussed with regard to chemical binding of NaOH to the cellulose chain in the system cellulose/ NaOH/H₂O.Presented at the 22nd Microsymposium, Characterization of Structure and Dynamics of Macromolecular Systems by NMR Methods, Prague, CSSR, July 20–23,1981     

Scandinavian Thins on Top of Cake: New and Improved Algorithms for Stacking and Packing

We show how to compute the smallest rectangle that can enclose any polygon, from a given set of polygons, in nearly linear time; we also present a PTAS for the problem, as well as a linear-time algorithm for the case when the polygons are rectangles themselves. We prove that finding a smallest convex polygon that encloses any of the given polygons is NP-hard, and give a PTAS for minimizing the perimeter of the convex enclosure. We also give efficient algorithms to find the smallest rectangle simultaneously enclosing a given pair of convex polygons.     

Improved bibliographic reference parsing based on repeated patterns

Parsing details like author names and titles out of bibliographic references of scientific publications is an important issue that has received considerable attention recently. However, most existing techniques are tailored to the highly standardized reference styles used in the last two to three decades. They do not perform well with the wide variety of reference styles used in older, historic publications. Thus, they are of limited use when creating comprehensive bibliographies covering both historic and contemporary scientific publications. This paper presents a generic approach to bibliographic reference parsing, named RefParse, which is independent of any specific reference style. Its core feature is an inference mechanism that exploits the regularities inherent in any list of references to deduce its format. In addition, our approach learns names of authors, journals, and publishers to increase the accuracy in scenarios where human users double check parsing results to increase data quality. Our evaluation shows that our approach performs comparably to existing ones with contemporary reference lists and also works well with older ones.     

Effect of patchwise slip on fluid flow

In this paper, we show that large connected slip patches (hydrophobic patches) are a necessity to induce macroscopic slip effects of water flow in microchannels. For this purpose, the 2D fluid flow between a planar stationary surface with alternating stick and slip patches and a parallel planar surface moving with a constant relative velocity has been studied by computer simulations based on Navier–Stokes equations. A slip patch is defined as the slipping length in a 2D system or a slip area of the surface in a 3D system. The simulations reveal that the ratio (size of each slip patch)/(distance between the two parallel interfaces) has profound effect on the viscous stress on the moving surface when this ratio is around and above one. However, when the ratio is much below one, the effect of the slip patches are minor, even if the area fraction of slip patches are higher than 50 %. Obviously, the stick patches adjacent to the slip patches act as effective barriers, preventing the fluid velocity to increase near the surface with alternating stick and slip patches. The obtained results are scalable and applicable on all length scales, with an exception for narrow channels in the subnano regime, i.e. <1 nm where specific effects as the atomistic composition and the nanostructure of the wall as well as the interactions between the wall and the water molecules have an effect.     

Dielectrophoresis in aqueous suspension: impact of electrode configuration

Dielectrophoresis (DEP) allows to moving neutral or charged particles in liquids by supplying a non-uniform electric field. When using alternating current and insulated electrodes, this is possible in conducting media such as aqueous solutions. However, relatively high field strength is required that is discussed to induce also an undesired Joule heating effect. In this paper, we demonstrate boundary conditions for avoiding this side effect and suggest a novel design of an interdigitated electrode (IDE) configuration to reduce the power consumption. Numerical simulation using OpenFOAM demonstrated that, when replacing conventional plate IDE by cylindrical micro-IDE in microchannel systems, the dielectrophoretic force field, i.e., the electric field gradient squared, becomes stronger and more homogeneously distributed along the electrodes array. Also the resulting particle DEP velocities were highest for the cylindrical IDE. The simulations were experimentally confirmed by measuring velocity of resin particle located at the subsurface of demineralized water. Surprisingly the fluid flow induced by electrothermal effect turned out to be negligible in microchannels when compared to the DEP effect and becomes dominant only for distances between particle and IDE larger than 6,000 μm. The well-agreed experimental and simulation results allow for predicting particle motion. This can be expected to pave the way for designing DEP microchannel separators with high throughput and low energy consumption.     

Engineering microfluidic papers: effect of fiber source and paper sheet properties on capillary-driven fluid flow

In the present study, we introduce a novel approach to control and modulate fluid transport inside microfluidic papers using lab-engineered paper sheets. Lab-sheets consisting of different fiber sources (eucalyptus sulfate and cotton linters pulp) and varying porosities were designed and further modified with small millimeter-scaled channels using hydrophobic barriers consisting of fiber-attached, hydrophobic polymers. The capillary-driven transport of an aqueous solution was monitored visually, and the influence of parameters such as fiber source, paper grammage, and channel width on the flow rates through the channel was investigated. The experimental results were compared with those obtained with commercially available filter papers. Our findings suggest that accurate control of fluid transport processes with standard filter papers is complex. Additionally, if the channel width is smaller than the mean fiber length, flow rates become dependent on the geometric parameters of the channel because of the formation of dead-end pores at the hydrophobic barriers. Finally, control of the paper sheets porosity, by varying the fiber density of the lab-made paper, affords the fabrication of chemically identical sheets whereby capillary flow is largely influenced and can be modulated accordingly by simple papermaking processes.