Produktionsintegrierter Umweltschutz – Verwertung von Reststoffen

Production-integrated environmental protection – Utilization of residues . Chemical plants as well as coal-fired powerstations utilize chemical reactions in order to produce materials or energy. Most of these reactions additionally produce gaseous, liquid, or solid residues. It is the main objective of production-integrated environmental protection to use these residues as suitable feedstocks in order to reduce environmental pollution and lower the consumption of raw materials. Several examples from the BASF Group will show how, by crossing the borders of the respective plant, reasonable solutions for material, or at least energetic, utilization of residues can be achieved. As a result of permanent efforts in production-integrated environmental protection over many years and despite increasing outputs the emissions of the chemical industry have been continuously reduced.     

Detailed Molecular Structure Modeling – A Path Forward to Designing Application Properties of ldPE

Summary: This paper describes a step on the ambitious aim to “design” application properties of ldPE by first simulating the detailed molecular structure of a high‐pressure tubular reactor product. The reactor of a certain configuration produces under well‐defined operating conditions. The next step is to correlate the structure with the application properties. Finally, the sequence will be reversed in order to deduce the operating conditions, which lead to the desired product quality. Two‐dimensional distributions, in molecular weight and branching frequency, as well a two compartment models with a core and a shell stream were simulated and compared with experimental results. Therefore, CFD simulations were carried out to discretize the reaction medium. Samples were taken from both pilot and commercial plants. The TREF‐SEC analytical method was successfully applied in order to measure the microscopic structure of the material. The tremendous numerical problems were solved with the help of the software PREDICI .

Detailed MWD for a pilot scale reactor product.     

Quantitative analysis of small angle neutron scattering data from montmorillonite dispersions

A new model is presented which can describe quantitatively the small angle neutron scattering from montmorillonite-type clay dispersions and polymer-clay nanocomposites. The model is shown to be able to describe well the data from a series of dilute montmorillonite in water dispersions in which the deuterium content of the water phase is varied. The fits combined with information from other techniques suggest strongly that H-D exchange occurs in the montmorillonite-water dispersions. Deviations from Q⁻² behaviour often observed experimentally for clay dispersions are convincingly explained by the presence of a small proportion of tactoids.     

Effect of Resins on Asphaltene Self‐Association and Solubility

In previous studies, asphaltenes and resins have been treated as two distinct fractions of a crude oil. The asphaltenes were assumed to be the only self‐associating fraction. However, there is evidence that resins also participate in this self‐association. In this study, molar masses of mixtures of asphaltenes and resins were measured with vapour pressure osmometry. Precipitation from the same mixtures dispersed in solutions of toluene and pentane were also measured. The data were modelled with previously developed self‐association and precipitation models. Model results with asphaltenes and resins characterized as a single distribution and as individual components are compared. The data and the modelling suggest that asphaltenes and resins are better characterized as a single distribution of self‐associating components.     

A Unified Model for the Mixing of Non‐Newtonian Fluids in the Laminar,Transition, and Turbulent Region

Summary: Non‐Newtonian fluid behavior has significant influence on quantities in chemical engineering like power input, mixing time, heat transfer etc. In the laminar flow region, the concept of effective viscosity by Metzner and Otto is well established. In the transition region between laminar and turbulent flow, the existing concepts use three and even more empirical parameters to determine the specific power input. Here, a unified and general but simple approach is introduced to calculate the power input for shear thinning fluids over the whole flow region using just one empirical parameter. The Metzner‐Otto relation is obtained as a limiting case for the laminar region. The empirical parameter of the new approach is related to the Metzner‐Otto constant. The concept is validated for eight different stirrer systems. Mixing time and maximum shear rate and heat transfer can also be calculated using this approach. The new concept presented should also be applicable for other apparatuses, e.g., static mixers.

Comparison of experimental data and a curve calculated according to the new method (solid line).     

Thermolysis of the polyyne C8H2 in hexane and methanol: Experimental and theoretical study

The mean lifetimes of polyyne C₈H₂ in hexane were determined at 50, 60, 80, and 100 °C and in methanol at 60 °C. The reactions are second order at all temperatures: ln k₂ = 20.5 ± 1.5-10303 ± 520T⁻¹ and the corresponding activation energy is 85.7 ± 6.3 kJ mol⁻¹ (7164 cm⁻¹). Extrapolation suggests that solutions at 1 mM concentration are significantly unstable at room temperature. Quantum chemical calculations show that polyynes C_mH₂ + C_nH₂ (m + n = 16) could be products, but these were not detected. Alternatively, C₁₆H₂ isomers could form. IR spectra of the solid residues from hexane and methanol solutions were obtained.     

Implementation of the quadrature method of moments in CFD codes for aggregation-breakage problems

In this work the quadrature method of moments (QMOM) is implemented in a commercial computational fluid dynamics (CFD) code (FLUENT) for modeling simultaneous aggregation and breakage. Turbulent and Brownian aggregation kernels are considered in combination with different breakage kernels (power law and exponential) and various daughter distribution functions (symmetric, erosion, uniform). CFD predictions are compared with experimental data taken from other work in the literature and conclusions about CPU time required for the simulations and the advantages of this approach are drawn.     

Patientenverfügungen und Advance Care Planning bei Demenz und anderen kognitiven Beeinträchtigungen

Definition of the problem

Advance directives for later states of grave cognitive impairment that are typical for late stages of dementia meet with more far-reaching reservations than advance directives for other states of reduced competence. One of the reasons seems to lie in the ethical and psychological conflicts arising from advance directives demanding nontreatment of additional diseases or the abstention from artificial nutrition in situations in which patients show no signs of suffering from their condition.

Arguments

In this article, it is argued that a “mixed” ethical strategy be used for these cases.

Conclusion

Advance directives in the legally defined sense, especially if drawn up in a process of advance care planning, should be followed in order to avoid that advance directives as an instrument of patient autonomy are rendered futile to a degree incompatible with confidence that wishes for terminating medical treatment will be followed. In contrast, the authority of “care directives” without recognized legal status should be restricted to cases in which there is concordance between the patient’s will as expressed in the directive and the patient’s “natural” will in the relevant situation.

     

Optimizing counter-terror operations: Should one fight fire with “fire” or “water”?

This paper deals dynamically with the question of how recruitment to terror organizations is influenced by counter-terror operations. This is done within an optimal control model, where the key state is the (relative) number of terrorists and the key controls are two types of counter-terror tactics, one (“water”) that does not and one (“fire”) that does provoke recruitment of new terrorists. The model is nonlinear and does not admit analytical solutions, but an efficient numerical implementation of Pontryagin's minimum principle allows for solution with base case parameters and considerable sensitivity analysis. Generally, this model yields two different steady states, one where the terror organization is nearly eradicated and one with a high number of terrorists. Whereas water strategies are used at almost any time, it can be optimal not to use fire strategies if the number of terrorists is below a certain threshold.