An approximate Riemann solver for hypervelocity flows

We describe an approximate Riemann solver for the computation of hypervelocity flows in which there are strong shocks and viscous interactions. The scheme has three stages, the first of which computes the intermediate states assuming isentropic waves. A second stage, based on the strong shock relations, may then be invoked if the pressure jump across either wave is large. The third stage interpolates the interface state from the two initial states and the intermediate states. The solver is used as part of a finite-volume code and is demonstrated on two test cases. The first is a high Mach number flow over a sphere while the second is a flow over a slender cone with an adiabatic boundary layer. In both cases the solver performs well

Interaction between zeolites and cluster compounds. Part 2.—Thermal decomposition of iron pentacarbonyl on zeolites

Thermal decomposition in a thermobalance of Fe(CO)5 adsorbed on alkali-metal, hydrogen-Y, dealuminated Y, L and omega zeolites proceeds stepwise via slow decarbonylation at low and high temperatures, separated by a fast endothermic reaction. Average CO/Fe ratios have been determined after each step. From i.r. results the former intermediates are assigned to species bearing bridging CO, whereas reaction products with CO/Fe < 1 are associated with highly unsaturated carbonyl clusters in strong interaction with the zeolite.The thermal stability of zeolite/Fe(CO)5 adducts as well as of the intermediates increases with the electron-donor properties of the matrix and can be rationalized using the Sanderson electronegativity concept. Iron loadings ranging from 2.4 wt % in zeolite L up to 10 wt % with NaY and HY are obtained by decomposition in inert atmosphere. Under vacuum conditions loss of metal up to 50% is observed. Metallic iron clusters are the final decomposition products in alkali-metal zeolites, as probed by NO adsorption. In HY part of the metallic iron is oxidized to FeII ions, which are located at cation positions

Interaction between zeolites and cluster compounds. Part 1.—Adsorption of iron pentacarbonyl on zeolites

The adsorption isotherms of Fe(CO)5 on NaY, HY and Linde L zeolites obtained in McBain balances show micropore adsorption, whereas additional capillary condensation is found with zeolite omega and Na-mordenite. The pores and/or cages of the zeolites studied are completely filled with the complex upon saturation, with the exception of Na-mordenite. Their behaviour is explained, respectively, by pore blocking and the occurrence of channel openings that are too narrow. The silicalite channel system also is too narrow to accept Fe(CO)5 molecules.Infrared results show that an increasing interaction of the complex with faujasites exists in the sequence: dealuminated Y < CsY < HY < NaY. This is derived from the increasing band half-width of the adsorbed complex in the CO stretching region and from the increasing intensity of the v1 vibration, which upon adsorption becomes i.r. active. The interaction is assumed to be influenced mainly by electrostatic fields in the cages or pores, which can lead to a very restricted mobility for the encaged complex. The complex seems to remain intact upon adsorption at 293 K in all the zeolites studied

Characterization of a new iron-on-zeolite Y Fischer-Tropsch catalyst

Iron pentacarbonyl adsorbed on dry Na-Y zeolite can be oxidized at subambient temperatures into Fe203 located in the zeolite supercages (catalyst I). When catalyst I is hydrogen reduced at 575 K most of the iron has agglomerated externally to the zeolite (catalyst 11). When the iron carbonyl is thermally decomposed in vacuo at 525 K, an iron phase with a very low degree of dispersion is again obtained (catalyst 111). During a Fischer-Tropsch reaction most of the iron is transformed into a Hagg-type carbide phase, located externally to the zeolite. Catalysts I1 and 111 rapidly reach steady state and show a Schulz-Flory-type of product distribution, the Hagg carbide being the active phase. Catalyst I slowly moves to steady state and Schulz-Flory behavior. Product selectivity is only found on this catalyst during transient conditions. The physical information on the three catalysts before and after reaction was obtained with transmission electron microscopy and Mossbauer and EXAFS spectroscopies. These techniques supplied consistent and complementary evidenc

Using l_script to Define L1d Simulations

Setting up a simulation is mostly an exercise in writing a textual description of your experimental facility and the gas slugs contained within it. This description is presented to the l_script program as a Python script, and is assumed to have a ".py" extension

MB_CNS Example Book

MB_CNS is a collection of programs for the simulation of transient two-dimensional (or axisymmetric) flows. It is part of the larger collection of compressible flow simulation codes found at http://www.mech.uq.edu.au/cfcfd/. This manual is a collection of example simulations: scripts, results and commentary. It may be convenient for new users of the code to identify an example close to the situation that they wish to model and then adapt the scripts for that example. This report will be updated occasionally with new examples and commentary. As the simulation codes are improved, we will try to maintain compatibility so that older examples are not broken", however, this backward compatibility will not be guaranteed

Using Scriptit.py to Define MB_CNS Simulations: A Reference for the Flow-Description Python Modules

A flow simulation is set up by first describing the flow domain as one or more blocks of finite-volume cells and specifying both initial and boundary conditions. The simulation then proceeds in a number of stages: (1) start with the input script and prepare the block grids and initial (i.e. t = 0) flow solution; (2) run the simulation to produce snapshots of the flow solution at one or more subsequent times; and (3) postprocess the accumulated flow solution data to extract particular data that may be of interest. The input script is written in the Python programming language and, when executed by the scriptit program, it creates various geometric and flow-condition objects as needed. This report describes the set of classes and functions that are available for creating the flow specification. Of course, the rest of the Python language is also available and may be used to assist (or automate) the set-up calculations

Targeted genome modifications in soybean with CRISPR/Cas9

Background: The ability to selectively alter genomic DNA sequences in vivo is a powerful tool for basic and applied research. The CRISPR/Cas9 system precisely mutates DNA sequences in a number of organisms. Here, the CRISPR/Cas9 system is shown to be effective in soybean by knocking-out a green fluorescent protein (GFP) transgene and modifying nine endogenous loci. Results: Targeted DNA mutations were detected in 95% of 88 hairy-root transgenic events analyzed. Bi-allelic mutations were detected in events transformed with eight of the nine targeting vectors. Small deletions were the most common type of mutation produced, although SNPs and short insertions were also observed. Homoeologous genes were successfully targeted singly and together, demonstrating that CRISPR/Cas9 can both selectively, and generally, target members of gene families. Somatic embryo cultures were also modified to enable the production of plants with heritable mutations, with the frequency of DNA modifications increasing with culture time. A novel cloning strategy and vector system based on In-Fusion (R) cloning was developed to simplify the production of CRISPR/Cas9 targeting vectors, which should be applicable for targeting any gene in any organism. Conclusions: The CRISPR/Cas9 is a simple, efficient, and highly specific genome editing tool in soybean. Although some vectors are more efficient than others, it is possible to edit duplicated genes relatively easily. The vectors and methods developed here will be useful for the application of CRISPR/Cas9 to soybean and other plant species

Agglomeration mechanism during the preparation of nickel(0) and iron(0) zeolites

Magnetization measurements have been used to study the reduction process of Ni - zeolites and the thermal decomposition of iron pentacarbonyl adsorbed on NaY zeolites . The Ni(0) particle size distribution in H2»reduced NiNaA, Ni NaX, Ni NaY and NiNaM is bidisperse. The amount and the volume of particles exceeding the cage dimensions increases in the sequence Μ,Υ,Χ,Α zeolites. Particle fusion is found to be the rate determining step. With decomposition of Fe(C0)5/NaY adducts, up to 97 wt.% of the iron particles produced are smaller than 1.3 nm. Fluidized sample bed, inert gas atmosphere and fast heating up to 440 Κ are essential to reach mononodal dispersion