1,126 research outputs found

    GOALI: Multicomponent Molecular Transport in Nanoporous Materials

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    In recent years novel diffusion controlled catalytic processes and non-conventional separation processes such as adsorption and membrane processes have gained an increasingly important place in the petroleum and petrochemicals industries. Several factors have driven this trend, including the need to improve the energy efficiency and throughput of refineries, stricter limits on the allowable composition of gasoline and diesel fuel requiring the removal of aromatics and sulfur containing compounds to extremely low levels, the need to process increasingly complex deposits of both natural gas and liquid hydrocarbons, and the possibility of producing liquid fuels from non-traditional sources such as biomass. Although progress has been made, significant challenges remain. Most of the newer processes have been developed by extensive trial and error experimentation with only limited attempts to develop a fundamental understanding of the underlying phenomena. This project is a three-year, three-way research program involving the University of Maine (UMaine), Carnegie Mellon University (CMU), and ExxonMobil Corporation (EM) to study molecular transport in nanoporous materials of industrial interest. A major objective is to develop a fundamental understanding of how the transport properties are modified in multicomponent systems due to interference effects. The proposed collaboration will produce a more fundamental understanding of the major factors that control intracrystalline diffusion in multicomponent systems under sterically hindered conditions. This knowledge will provide a valuable platform for the development of new adsorption processes and the optimization of existing processes. The proposed research will directly impact existing efforts to develop a robust process for upgrading CO2-rich natural gas and to develop the methanol to olefins (MTO) process to the point of economic viability. By its collaborative nature, the work will address two major defects in previous studies of molecular transport in nanoporous materials: (1) The conditions of the (past) experimental studies are often far removed from conditions of practical interest and (2) The integration between experimental and molecular modeling studies has generally involved post facto comparisons of results, rather than an integrated collaborative program of research. The projects overall aim is to generate the underlying science needed to develop the nanoporous adsorbents, membranes, and catalysts required for advanced catalytic and/or separation processes of importance to the petrochemical industries. The students working on the project will benefit from in-depth research training and outstanding research facilities at the two universities and at EM. EM is providing cost free access to the research and technical facilities at their Clinton N.J. laboratory, half the time of one research professional for project supervision, a part time post-doc or research technician to work with the students, support for the students living expenses while at Exxon Mobil and partial summer salaries for Ruthven and Sholl. The nations science and engineering workforce will be strengthened through student participation in industrial research and the integration of research results into courses at UMaine and CMU

    Diagnosing space telescope misalignment and jitter using stellar images

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    Accurate knowledge of the telescope's point spread function (PSF) is essential for the weak gravitational lensing measurements that hold great promise for cosmological constraints. For space telescopes, the PSF may vary with time due to thermal drifts in the telescope structure, and/or due to jitter in the spacecraft pointing (ground-based telescopes have additional sources of variation). We describe and simulate a procedure for using the images of the stars in each exposure to determine the misalignment and jitter parameters, and reconstruct the PSF at any point in that exposure's field of view. The simulation uses the design of the SNAP (http://snap.lbl.gov) telescope. Stellar-image data in a typical exposure determines secondary-mirror positions as precisely as 20nm20 {\rm nm}. The PSF ellipticities and size, which are the quantities of interest for weak lensing are determined to 4.0×1044.0 \times 10^{-4} and 2.2×1042.2 \times 10^{-4} accuracies respectively in each exposure, sufficient to meet weak-lensing requirements. We show that, for the case of a space telescope, the PSF estimation errors scale inversely with the square root of the total number of photons collected from all the usable stars in the exposure.Comment: 20 pages, 6 figs, submitted to PAS

    Ewald methods for inverse power-law interactions in tridimensional and quasi-two dimensional systems

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    In this paper, we derive the Ewald method for inverse power-law interactions in quasi-two dimensional systems. The derivation is done by using two different analytical methods. The first uses the Parry's limit, that considers the Ewald methods for quasi-two dimensional systems as a limit of the Ewald methods for tridimensional systems, the second uses Poisson-Jacobi identities for lattice sums. Taking into account the equivalence of both derivations, we obtain a new analytical Fourier transform intregral involving incomplete gamma function. Energies of the generalized restrictive primitive model of electrolytes (η\eta-RPM) and of the generalized one component plasma model (η\eta-OCP) are given for the tridimensional, quasi-two dimensional and monolayers systems. Few numerical results, using Monte-Carlo simulations, for η\eta-RPM and η\eta-OCP monolayers systems are reported.Comment: to be published in Journal of Physics A: Mathematical and Theoretical (19 pages, 2 figures and 3 tables

    Selection of the scaling solution in a cluster coalescence model

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    The scaling properties of the cluster size distribution of a system of diffusing clusters is studied in terms of a simple kinetic mean field model. It is shown that a one parameter family of mathematically valid scaling solutions exists. Despite this, the kinetics reaches a unique scaling solution independent of initial conditions. This selected scaling solution is marginally physical; i.e., it is the borderline solution between the unphysical and physical branches of the family of solutions.Comment: 4 pages, 5 figure

    Fast diffusion of a Lennard-Jones cluster on a crystalline surface

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    We present a Molecular Dynamics study of large Lennard-Jones clusters evolving on a crystalline surface. The static and the dynamic properties of the cluster are described. We find that large clusters can diffuse rapidly, as experimentally observed. The role of the mismatch between the lattice parameters of the cluster and the substrate is emphasized to explain the diffusion of the cluster. This diffusion can be described as a Brownian motion induced by the vibrationnal coupling to the substrate, a mechanism that has not been previously considered for cluster diffusion.Comment: latex, 5 pages with figure

    SNAP Telescope

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    Mission requirements, the baseline design, and optical systems budgets for the SuperNova/Acceleration Probe (SNAP) telescope are presented. SNAP is a proposed space-based experiment designed to study dark energy and alternate explanations of the acceleration of the universe’s expansion by performing a series of complementary systematics-controlled astrophysical measurements. The goals of the mission are a Type Ia supernova Hubble diagram and a wide-field weak gravitational lensing survey. A 2m widefield three-mirror telescope feeds a focal plane consisting of 36 CCDs and 36 HgCdTe detectors and a high-efficiency, low resolution integral field spectrograph. Details of the maturing optical system, with emphasis on structural stability during terrestrial testing as well as expected environments during operations at L2 are discussed. The overall stray light mitigation system, including illuminated surfaces and visible objects are also presented

    Island diffusion on metal fcc(100) surfaces

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    We present Monte Carlo simulations for the size and temperature dependence of the diffusion coefficient of adatom islands on the Cu(100) surface. We show that the scaling exponent for the size dependence is not a constant but a decreasing function of the island size and approaches unity for very large islands. This is due to a crossover from periphery dominated mass transport to a regime where vacancies diffuse inside the island. The effective scaling exponents are in good agreement with theory and experiments.Comment: 13 pages, 2 figures, to be published in Phys. Rev. Let
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