Verification Studies of Computational Fluid Dynamics in Fixed Bed Heat Transfer

Computational Fluid Dynamics (CFD) is one of the fields that has strongly developed since the recent development of faster computers and numerical modeling. CFD is also finding its way into chemical engineering on several levels. We have used CFD for detailed modeling of heat and mass transfer in a packed bed. One of the major questions in CFD modeling is whether the computer model describes reality well enough to consider it a reasonable alternative to data collection. For this assumption a validation of CFD data against experimental data is desired. We have developed a low tube to particle, structured model for this purpose. Data was gathered both with an experimental setup and with an identical CFD model. These data sets were then compared to validate the CFD results. Several aspects in creating the model and acquiring the data were emphasized. The final result in the simulation is dependent on mesh density (model detail) and iteration parameters. The iteration parameters were kept constant so they would not influence the method of solution. The model detail was investigated and optimized, too much detail delays the simulation unnecessarily and too little detail will distort the solution. The amount of data produced by the CFD simulations is enormous and needs to be reduced for interpretation. The method of data reduction was largely influenced by the experimental method. Data from the CFD simulations was compared to experimental data through radial temperature profiles in the gas phase collected directly above the packed bed. It was found that the CFD data and the experimental data show quantitatively as well as qualitatively comparable temperature profiles, with the used model detail. With several systematic variances explained CFD has shown to be an ample modeling tool for heat and mass transfer in low tube to particle (N) packed beds

Influences of catalyst particle geometry on fixed bed reactor near-wall heat transfer using CFD

Fixed bed reactors are an essential part of the chemical industry as they are used in a wide variety of chemical processes. To better model these systems a more fundamental understanding of the processes taking place in a fixed bed is required. Fixed bed models are traditionally based on high tube-to particle diameter ratio (N) beds, where temperature and flow profile gradients are mild and can be averaged. Low-N beds are used in extremely exo- and endothermic processes on the tube side of tube and shell type reactors. In these beds, heat transfer is one of the most important aspects. The importance of accurate modeling of heat transfer and its dependence on accurate modeling of the flow features leads to the need for studying the phenomena in these low-N beds in detail. In this work a comparative study is made of the influence of spherical and cylindrical packing particle shapes, positions and orientations on the rates of heat transfer in the near-wall region in a steam reforming application. Computational Fluid Dynamics (CFD) is used as a tool for obtaining the detailed flow and temperature information in a low-N fixed bed. CFD simulation geometries of discrete particle packed beds are designed and methods for data extraction and analysis are developed. After conceptual and quantitative analysis of the simulation data it is found that few clear relations between the complex phenomena of flow and heat transfer can be easily identified. Investigated features are the orientations of the particle in the flow, and many design parameters, such as the number and size of longitudinal holes in the particle and external features on the particle. We find that many of the investigated features are related and their individual influences could not be isolated in this study. Some of the related features are, for example, the number of holes in the particle design and the particle orientation in the flow. Some general conclusions could be drawn. External features on the particles enhance the overall heat transfer properties by better mixing of the flow field. When holes are present in the cylindrical particle design, heat transfer effectiveness can be improved with fewer larger holes. After identifying the packing-related features influencing the near-wall heat transfer under steam reforming conditions, an attempt was made to incorporate the steam reforming reaction in the simulation. In the initial attempts the reaction was modeled as an energy flux at the catalyst particle surfaces. This approach was based on the abilities of the CFD code, but turned out not accurate enough. Elimination of the effects of local reactant depletion and the lack of solid energy conduction in the catalyst particles resulted in an unphysical temperature field. Several suggestions, based on the results of this study, are made for additional aspects of particle design to be investigated. Additionally, suggestions are made on how to incorporate the modeling of a reaction in fixed bed heat transfer simulations

A Compartmentalized Out-of-Equilibrium Enzymatic Reaction Network for Sustained Autonomous Movement

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Reversibly Triggered Protein-Ligand Assemblies in Giant Vesicles

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Reversibly triggered protein-ligand assemblies in giant vesicles

\u3cp\u3eExternal small-molecule triggers were used to reversibly control dynamic protein-ligand interactions in giant vesicles. An alcohol dehydrogenase was employed to increase or decrease the interior pH upon conversion of two different small-molecule substrates, thereby modulating the pH-sensitive interaction between a Ni-NTA ligand on the vesicle membrane and an oligohistidine-tagged protein in the lumen. By alternating the small-molecule substrates the interaction could be reversed.\u3c/p\u3

Identifying interfacial failure mode in aerospace adhesive bonds by broadband dielectric spectroscopy

The most widely accepted test for bond durability analysis in aerospace metal-bonded structures is the bondline corrosion test introduced in the late 90s. Little progress has been made however on non-destructive testing methods that allow determining the bond quality after years of use. Here, a non-destructive method based on dielectric spectroscopy is introduced to evaluate the state of a metal-adhesive-metal bond exposed to salt fog spray up to 180 days. Several samples were evaluated with broadband dielectric spectroscopy (BDS), floating roller peel (FRP) tests and bondline corrosion (BLC) after exposure to salt fog spray test for different times. Relaxation processes and conductivity phenomena extracted from the BDS data (e.g. apparent conductivity relaxation time (τmax) using electric modulus) are found to correlate well with the bond strength measured in peel test and BLC progression. The BDS-based protocol was able to identify the local interfacial degradation stages in a non-destructive mode and with high resolution. The protocol has the potential to be further developed into a test method for durability on coupon level.Facility Aerospace Structures & Materials Laboratory(OLD) MSE-1Novel Aerospace Material