We are developing computational models to elucidate the expansion and dynamic filling process of a polyurethane foam, PMDI. The polyurethane of interest is chemically blown, where carbon dioxide is produced via the reaction of water, the blowing agent, and isocyanate. The isocyanate also reacts with polyol in a competing reaction, which produces the polymer. Here we detail the experiments needed to populate a processing model and provide parameters for the model based on these experiments. The model entails solving the conservation equations, including the equations of motion, an energy balance, and two rate equations for the polymerization and foaming reactions, following a simplified mathematical formalism that decouples these two reactions. Parameters for the polymerization kinetics model are reported based on infrared spectrophotometry. Parameters describing the gas generating reaction are reported based on measurements of volume, temperature and pressure evolution with time. A foam rheology model is proposed and parameters determined through steady-shear and oscillatory tests. Heat of reaction and heat capacity are determined through differential scanning calorimetry. Thermal conductivity of the foam as a function of density is measured using a transient method based on the theory of the transient plane source technique. Finally, density variations of the resulting solid foam in several simple geometries are directly measured by sectioning and sampling mass, as well as through x-ray computed tomography. These density measurements will be useful for model validation once the complete model is implemented in an engineering code.
Continuous jets of non-Newtonian fluids impinging on a fluid surface exhibit instabilities from jet buckling and coiling at low Reynolds numbers to delayed die swell, mounding, and air entrainment at higher Reynolds numbers. Filling containers with complex fluids is an important process for many industries, where the need for high throughput requires operating at high Reynolds numbers. In this regime, air entrainment can produce a visually unappealing product, causing a major quality control issue. Just prior to the onset of air entrainment, however, there exists an ideal filling regime which we term “planar filling,” as it is characterized by a relatively flat free surface that maintains its shape over time. In this paper, we create a steady-state, 2-D axisymmetric finite element model to study the transition from planar filling to the onset of air entrainment in a container filling process with generalized-Newtonian fluids. We use this model to explore the operating window for Newtonian and shear-thinning (or, more generally, deformation-rate-thinning) fluids, demonstrating that the flow behavior is characterized by a balance between inertial, viscous, and gravitational forces, as characterized by the Reynolds and Froude numbers. A scaling analysis suggests that the relevant parameters for calculating these dimensionless numbers are located where the jet impacts the liquid surface, and simulations show that the transition from planar filling to air entrainment often occurs when Re ~ O(10). Our study found that the bottom and side surfaces of the container drastically influence this transition to entrainment, stabilizing the flow.
Multilayer coextrusion has become a popular commercial process for producing complex polymeric products from soda bottles to reflective coatings. A numerical model of a multilayer coextrusion process is developed based on a finite element discretization and two different free-surface methods, an arbitrary-Lagrangian-Eulerian (ALE) moving mesh implementation and an Eulerian level set method, to understand the moving boundary problem associated with the polymer-polymer interface. The goal of this work is to have a numerical capability suitable for optimizing and troubleshooting the coextrusion process, circumventing flow instabilities such as ribbing and barring, and reducing variability in layer thickness. Though these instabilities can be both viscous and elastic in nature, for this work a generalized Newtonian description of the fluid is used. Models of varying degrees of complexity are investigated including stability analysis and direct three-dimensional finite element free surface approaches. The results of this work show how critical modeling can be to reduce build test cycles, improve material choices, and guide mold design.
Imported oil exacerabates our trade deficit and funds anti-American regimes. Nuclear Energy (NE) is a demonstrated technology with high efficiency. NE's two biggest political detriments are possible accidents and nuclear waste disposal. For NE policy, proliferation is the biggest obstacle. Nuclear waste can be reduced through reprocessing, where fuel rods are separated into various streams, some of which can be reused in reactors. Current process developed in the 1950s is dirty and expensive, U/Pu separation is the most critical. Fuel rods are sheared and dissolved in acid to extract fissile material in a centrifugal contactor. Plants have many contacts in series with other separations. We have taken a science and simulation-based approach to develop a modern reprocessing plant. Models of reprocessing plants are needed to support nuclear materials accountancy, nonproliferation, plant design, and plant scale-up.