Science.gov

Sample records for accurately simulating oil

  1. 3-dimensional Oil Drift Simulations

    NASA Astrophysics Data System (ADS)

    Wettre, C.; Reistad, M.; Hjøllo, B.Å.

    Simulation of oil drift has been an ongoing activity at the Norwegian Meteorological Institute since the 1970's. The Marine Forecasting Centre provides a 24-hour service for the Norwegian Pollution Control Authority and the oil companies operating in the Norwegian sector. The response time is 30 minutes. From 2002 the service is extended to simulation of oil drift from oil spills in deep water, using the DeepBlow model developed by SINTEF Applied Chemistry. The oil drift model can be applied both for instantaneous and continuous releases. The changes in the mass of oil and emulsion as a result of evaporation and emulsion are computed. For oil spill at deep water, hydrate formation and gas dissolution are taken into account. The properties of the oil depend on the oil type, and in the present version 64 different types of oil can be simulated. For accurate oil drift simulations it is important to have the best possible data on the atmospheric and oceanic conditions. The oil drift simulations at the Norwegian Meteorological Institute are always based on the most updated data from numerical models of the atmosphere and the ocean. The drift of the surface oil is computed from the vectorial sum of the surface current from the ocean model and the wave induced Stokes drift computed from wave energy spectra from the wave prediction model. In the new model the current distribution with depth is taken into account when calculating the drift of the dispersed oil droplets. Salinity and temperature profiles from the ocean model are needed in the DeepBlow model. The result of the oil drift simulations can be plotted on sea charts used for navigation, either as trajectory plots or particle plots showing the situation at a given time. The results can also be sent as data files to be included in the user's own GIS system.

  2. Coupling geostatistics to detailed reservoir description allows better visualization and more accurate characterization/simulation of turbidite reservoirs: Elk Hills oil field, California

    SciTech Connect

    Allan, M.E.; Wilson, M.L.; Wightman, J. )

    1996-01-01

    The Elk Hills giant oilfield, located in the southern San Joaquin Valley of California, has produced 1.1 billion barrels of oil from Miocene and shallow Pliocene reservoirs. 65% of the current 64,000 BOPD production is from the pressure-supported, deeper Miocene turbidite sands. In the turbidite sands of the 31 S structure, large porosity permeability variations in the Main Body B and Western 31 S sands cause problems with the efficiency of the waterflooding. These variations have now been quantified and visualized using geostatistics. The end result is a more detailed reservoir characterization for simulation. Traditional reservoir descriptions based on marker correlations, cross-sections and mapping do not provide enough detail to capture the short-scale stratigraphic heterogeneity needed for adequate reservoir simulation. These deterministic descriptions are inadequate to tie with production data as the thinly bedded sand/shale sequences blur into a falsely homogenous picture. By studying the variability of the geologic petrophysical data vertically within each wellbore and spatially from well to well, a geostatistical reservoir description has been developed. It captures the natural variability of the sands and shales that was lacking from earlier work. These geostatistical studies allow the geologic and petrophysical characteristics to be considered in a probabilistic model. The end-product is a reservoir description that captures the variability of the reservoir sequences and can be used as a more realistic starting point for history matching and reservoir simulation.

  3. Coupling geostatistics to detailed reservoir description allows better visualization and more accurate characterization/simulation of turbidite reservoirs: Elk Hills oil field, California

    SciTech Connect

    Allan, M.E.; Wilson, M.L.; Wightman, J.

    1996-12-31

    The Elk Hills giant oilfield, located in the southern San Joaquin Valley of California, has produced 1.1 billion barrels of oil from Miocene and shallow Pliocene reservoirs. 65% of the current 64,000 BOPD production is from the pressure-supported, deeper Miocene turbidite sands. In the turbidite sands of the 31 S structure, large porosity & permeability variations in the Main Body B and Western 31 S sands cause problems with the efficiency of the waterflooding. These variations have now been quantified and visualized using geostatistics. The end result is a more detailed reservoir characterization for simulation. Traditional reservoir descriptions based on marker correlations, cross-sections and mapping do not provide enough detail to capture the short-scale stratigraphic heterogeneity needed for adequate reservoir simulation. These deterministic descriptions are inadequate to tie with production data as the thinly bedded sand/shale sequences blur into a falsely homogenous picture. By studying the variability of the geologic & petrophysical data vertically within each wellbore and spatially from well to well, a geostatistical reservoir description has been developed. It captures the natural variability of the sands and shales that was lacking from earlier work. These geostatistical studies allow the geologic and petrophysical characteristics to be considered in a probabilistic model. The end-product is a reservoir description that captures the variability of the reservoir sequences and can be used as a more realistic starting point for history matching and reservoir simulation.

  4. Accurate thermoplasmonic simulation of metallic nanoparticles

    NASA Astrophysics Data System (ADS)

    Yu, Da-Miao; Liu, Yan-Nan; Tian, Fa-Lin; Pan, Xiao-Min; Sheng, Xin-Qing

    2017-01-01

    Thermoplasmonics leads to enhanced heat generation due to the localized surface plasmon resonances. The measurement of heat generation is fundamentally a complicated task, which necessitates the development of theoretical simulation techniques. In this paper, an efficient and accurate numerical scheme is proposed for applications with complex metallic nanostructures. Light absorption and temperature increase are, respectively, obtained by solving the volume integral equation (VIE) and the steady-state heat diffusion equation through the method of moments (MoM). Previously, methods based on surface integral equations (SIEs) were utilized to obtain light absorption. However, computing light absorption from the equivalent current is as expensive as O(NsNv), where Ns and Nv, respectively, denote the number of surface and volumetric unknowns. Our approach reduces the cost to O(Nv) by using VIE. The accuracy, efficiency and capability of the proposed scheme are validated by multiple simulations. The simulations show that our proposed method is more efficient than the approach based on SIEs under comparable accuracy, especially for the case where many incidents are of interest. The simulations also indicate that the temperature profile can be tuned by several factors, such as the geometry configuration of array, beam direction, and light wavelength.

  5. Time accurate simulations of compressible shear flows

    NASA Technical Reports Server (NTRS)

    Givi, Peyman; Steinberger, Craig J.; Vidoni, Thomas J.; Madnia, Cyrus K.

    1993-01-01

    The objectives of this research are to employ direct numerical simulation (DNS) to study the phenomenon of mixing (or lack thereof) in compressible free shear flows and to suggest new means of enhancing mixing in such flows. The shear flow configurations under investigation are those of parallel mixing layers and planar jets under both non-reacting and reacting nonpremixed conditions. During the three-years of this research program, several important issues regarding mixing and chemical reactions in compressible shear flows were investigated.

  6. Accurate simulation of optical properties in dyes.

    PubMed

    Jacquemin, Denis; Perpète, Eric A; Ciofini, Ilaria; Adamo, Carlo

    2009-02-17

    Since Antiquity, humans have produced and commercialized dyes. To this day, extraction of natural dyes often requires lengthy and costly procedures. In the 19th century, global markets and new industrial products drove a significant effort to synthesize artificial dyes, characterized by low production costs, huge quantities, and new optical properties (colors). Dyes that encompass classes of molecules absorbing in the UV-visible part of the electromagnetic spectrum now have a wider range of applications, including coloring (textiles, food, paintings), energy production (photovoltaic cells, OLEDs), or pharmaceuticals (diagnostics, drugs). Parallel to the growth in dye applications, researchers have increased their efforts to design and synthesize new dyes to customize absorption and emission properties. In particular, dyes containing one or more metallic centers allow for the construction of fairly sophisticated systems capable of selectively reacting to light of a given wavelength and behaving as molecular devices (photochemical molecular devices, PMDs).Theoretical tools able to predict and interpret the excited-state properties of organic and inorganic dyes allow for an efficient screening of photochemical centers. In this Account, we report recent developments defining a quantitative ab initio protocol (based on time-dependent density functional theory) for modeling dye spectral properties. In particular, we discuss the importance of several parameters, such as the methods used for electronic structure calculations, solvent effects, and statistical treatments. In addition, we illustrate the performance of such simulation tools through case studies. We also comment on current weak points of these methods and ways to improve them.

  7. Next generation oil reservoir simulations

    SciTech Connect

    Joubert, W.

    1996-04-01

    This paper describes a collaborative effort between Amoco Production Company, Los Alamos National Laboratory and Cray Research Inc. to develop a next-generation massively parallel oil reservoir simulation code. The simulator, code-named Falcon, enables highly detailed simulations to be performed on a range of platforms such as the Cray T3D and T3E. The code is currently being used by Amoco to perform a sophisticated field study using multiple geostatistical realizations on a scale of 2-5 million grid blocks and 1000-2000 wells. In this paper we discuss the nature of this collaborative effort, the software design and engineering aspects of the code, parallelization experiences, and performance studies. The code will be marketed to the oil industry by a third-party independent software vendor in mid-1996.

  8. Time-Accurate Numerical Simulations of Synthetic Jet Quiescent Air

    NASA Technical Reports Server (NTRS)

    Rupesh, K-A. B.; Ravi, B. R.; Mittal, R.; Raju, R.; Gallas, Q.; Cattafesta, L.

    2007-01-01

    The unsteady evolution of three-dimensional synthetic jet into quiescent air is studied by time-accurate numerical simulations using a second-order accurate mixed explicit-implicit fractional step scheme on Cartesian grids. Both two-dimensional and three-dimensional calculations of synthetic jet are carried out at a Reynolds number (based on average velocity during the discharge phase of the cycle V(sub j), and jet width d) of 750 and Stokes number of 17.02. The results obtained are assessed against PIV and hotwire measurements provided for the NASA LaRC workshop on CFD validation of synthetic jets.

  9. RETORT. Oil Shale Retorting Simulation

    SciTech Connect

    Eyberger, L.R.

    1992-02-26

    RETORT is a one-dimensional mathematical model for simulating the chemical and physical processes involved in the vertical retorting of a fixed or moving rubbled bed of oil shale. The model includes those processes believed to have the most important effects in either the hot-gas retorting mode or the forward combustion retorting mode. The physical processes are: axial convective transport of heat and mass, axial thermal dispersion, axial pressure drop, gas-solid heat transfer, intraparticle thermal conductivity, water evaporation and condensation, wall heat loss, and movement of shale countercurrent to flow of gas. The chemical reactions within the shale particles are: release of bound water, pyrolysis of kerogen, coking of oil, pyrolysis of char, decomposition of carbonate minerals, and gasification of residual organic carbon with CO2, H2O, and O2. The chemical reactions in the bulk-gas stream are: combustion and cracking of oil vapor, combustion of H2, CH4, CHx, and CO, and the water-gas shift. The RETORT model is meant to simulate adiabatic laboratory retorts and in situ retorts that have been prepared with fairly uniform lateral distribution of shale particle sizes, void volume, and permeability. The model`s main role is to calculate, as a function of time and axial location in the retort, the flow rate of the bulk-gas stream and the composition and temperature of both the fluid stream and the shale particles.

  10. RETORT. Oil Shale Retorting Simulation

    SciTech Connect

    Braun, R.L.

    1992-02-26

    RETORT is a one-dimensional mathematical model for simulating the chemical and physical processes involved in the vertical retorting of a fixed or moving rubbled bed of oil shale. The model includes those processes believed to have the most important effects in either the hot-gas retorting mode or the forward combustion retorting mode. The physical processes are: axial convective transport of heat and mass, axial thermal dispersion, axial pressure drop, gas-solid heat transfer, intraparticle thermal conductivity, water evaporation and condensation, wall heat loss, and movement of shale countercurrent to flow of gas. The chemical reactions within the shale particles are: release of bound water, pyrolysis of kerogen, coking of oil, pyrolysis of char, decomposition of carbonate minerals, and gasification of residual organic carbon with CO2, H2O, and O2. The chemical reactions in the bulk-gas stream are: combustion and cracking of oil vapor, combustion of H2, CH4, CHx, and CO, and the water- gas shift. The RETORT model is meant to simulate adiabatic laboratory retorts and in situ retorts that have been prepared with fairly uniform lateral distribution of shale particle sizes, void volume, and permeability. The model`s main role is to calculate, as a function of time and axial location in the retort, the flow rate of the bulk-gas stream and the composition and temperature of both the fluid stream and the shale particles.

  11. Development of accurate force fields for the simulation of biomineralization.

    PubMed

    Raiteri, Paolo; Demichelis, Raffaella; Gale, Julian D

    2013-01-01

    The existence of an accurate force field (FF) model that reproduces the free-energy landscape is a key prerequisite for the simulation of biomineralization. Here, the stages in the development of such a model are discussed including the quality of the water model, the thermodynamics of polymorphism, and the free energies of solvation for the relevant species. The reliability of FFs can then be benchmarked against quantities such as the free energy of ion pairing in solution, the solubility product, and the structure of the mineral-water interface.

  12. Accurate Langevin approaches to simulate Markovian channel dynamics

    NASA Astrophysics Data System (ADS)

    Huang, Yandong; Rüdiger, Sten; Shuai, Jianwei

    2015-12-01

    The stochasticity of ion-channels dynamic is significant for physiological processes on neuronal cell membranes. Microscopic simulations of the ion-channel gating with Markov chains can be considered to be an accurate standard. However, such Markovian simulations are computationally demanding for membrane areas of physiologically relevant sizes, which makes the noise-approximating or Langevin equation methods advantageous in many cases. In this review, we discuss the Langevin-like approaches, including the channel-based and simplified subunit-based stochastic differential equations proposed by Fox and Lu, and the effective Langevin approaches in which colored noise is added to deterministic differential equations. In the framework of Fox and Lu’s classical models, several variants of numerical algorithms, which have been recently developed to improve accuracy as well as efficiency, are also discussed. Through the comparison of different simulation algorithms of ion-channel noise with the standard Markovian simulation, we aim to reveal the extent to which the existing Langevin-like methods approximate results using Markovian methods. Open questions for future studies are also discussed.

  13. D-BRAIN: Anatomically Accurate Simulated Diffusion MRI Brain Data.

    PubMed

    Perrone, Daniele; Jeurissen, Ben; Aelterman, Jan; Roine, Timo; Sijbers, Jan; Pizurica, Aleksandra; Leemans, Alexander; Philips, Wilfried

    2016-01-01

    Diffusion Weighted (DW) MRI allows for the non-invasive study of water diffusion inside living tissues. As such, it is useful for the investigation of human brain white matter (WM) connectivity in vivo through fiber tractography (FT) algorithms. Many DW-MRI tailored restoration techniques and FT algorithms have been developed. However, it is not clear how accurately these methods reproduce the WM bundle characteristics in real-world conditions, such as in the presence of noise, partial volume effect, and a limited spatial and angular resolution. The difficulty lies in the lack of a realistic brain phantom on the one hand, and a sufficiently accurate way of modeling the acquisition-related degradation on the other. This paper proposes a software phantom that approximates a human brain to a high degree of realism and that can incorporate complex brain-like structural features. We refer to it as a Diffusion BRAIN (D-BRAIN) phantom. Also, we propose an accurate model of a (DW) MRI acquisition protocol to allow for validation of methods in realistic conditions with data imperfections. The phantom model simulates anatomical and diffusion properties for multiple brain tissue components, and can serve as a ground-truth to evaluate FT algorithms, among others. The simulation of the acquisition process allows one to include noise, partial volume effects, and limited spatial and angular resolution in the images. In this way, the effect of image artifacts on, for instance, fiber tractography can be investigated with great detail. The proposed framework enables reliable and quantitative evaluation of DW-MR image processing and FT algorithms at the level of large-scale WM structures. The effect of noise levels and other data characteristics on cortico-cortical connectivity and tractography-based grey matter parcellation can be investigated as well.

  14. On the accurate simulation of tsunami wave propagation

    NASA Astrophysics Data System (ADS)

    Castro, C. E.; Käser, M.; Toro, E. F.

    2009-04-01

    A very important part of any tsunami early warning system is the numerical simulation of the wave propagation in the open sea and close to geometrically complex coastlines respecting bathymetric variations. Here we are interested in improving the numerical tools available to accurately simulate tsunami wave propagation on a Mediterranean basin scale. To this end, we need to accomplish some targets, such as: high-order numerical simulation in space and time, preserve steady state conditions to avoid spurious oscillations and describe complex geometries due to bathymetry and coastlines. We use the Arbitrary accuracy DERivatives Riemann problem method together with Finite Volume method (ADER-FV) over non-structured triangular meshes. The novelty of this method is the improvement of the ADER-FV scheme, introducing the well-balanced property when geometrical sources are considered for unstructured meshes and arbitrary high-order accuracy. In a previous work from Castro and Toro [1], the authors mention that ADER-FV schemes approach asymptotically the well-balanced condition, which was true for the test case mentioned in [1]. However, new evidence[2] shows that for real scale problems as the Mediterranean basin, and considering realistic bathymetry as ETOPO-2[3], this asymptotic behavior is not enough. Under these realistic conditions the standard ADER-FV scheme fails to accurately describe the propagation of gravity waves without being contaminated with spurious oscillations, also known as numerical waves. The main problem here is that at discrete level, i.e. from a numerical point of view, the numerical scheme does not correctly balance the influence of the fluxes and the sources. Numerical schemes that retain this balance are said to satisfy the well-balanced property or the exact C-property. This unbalance reduces, as we refine the spatial discretization or increase the order of the numerical method. However, the computational cost increases considerably this way

  15. Progress in fast, accurate multi-scale climate simulations

    DOE PAGES

    Collins, W. D.; Johansen, H.; Evans, K. J.; ...

    2015-06-01

    We present a survey of physical and computational techniques that have the potential to contribute to the next generation of high-fidelity, multi-scale climate simulations. Examples of the climate science problems that can be investigated with more depth with these computational improvements include the capture of remote forcings of localized hydrological extreme events, an accurate representation of cloud features over a range of spatial and temporal scales, and parallel, large ensembles of simulations to more effectively explore model sensitivities and uncertainties. Numerical techniques, such as adaptive mesh refinement, implicit time integration, and separate treatment of fast physical time scales are enablingmore » improved accuracy and fidelity in simulation of dynamics and allowing more complete representations of climate features at the global scale. At the same time, partnerships with computer science teams have focused on taking advantage of evolving computer architectures such as many-core processors and GPUs. As a result, approaches which were previously considered prohibitively costly have become both more efficient and scalable. In combination, progress in these three critical areas is poised to transform climate modeling in the coming decades.« less

  16. Progress in fast, accurate multi-scale climate simulations

    SciTech Connect

    Collins, W. D.; Johansen, H.; Evans, K. J.; Woodward, C. S.; Caldwell, P. M.

    2015-06-01

    We present a survey of physical and computational techniques that have the potential to contribute to the next generation of high-fidelity, multi-scale climate simulations. Examples of the climate science problems that can be investigated with more depth with these computational improvements include the capture of remote forcings of localized hydrological extreme events, an accurate representation of cloud features over a range of spatial and temporal scales, and parallel, large ensembles of simulations to more effectively explore model sensitivities and uncertainties. Numerical techniques, such as adaptive mesh refinement, implicit time integration, and separate treatment of fast physical time scales are enabling improved accuracy and fidelity in simulation of dynamics and allowing more complete representations of climate features at the global scale. At the same time, partnerships with computer science teams have focused on taking advantage of evolving computer architectures such as many-core processors and GPUs. As a result, approaches which were previously considered prohibitively costly have become both more efficient and scalable. In combination, progress in these three critical areas is poised to transform climate modeling in the coming decades.

  17. Progress in Fast, Accurate Multi-scale Climate Simulations

    SciTech Connect

    Collins, William D; Johansen, Hans; Evans, Katherine J; Woodward, Carol S.; Caldwell, Peter

    2015-01-01

    We present a survey of physical and computational techniques that have the potential to con- tribute to the next generation of high-fidelity, multi-scale climate simulations. Examples of the climate science problems that can be investigated with more depth include the capture of remote forcings of localized hydrological extreme events, an accurate representation of cloud features over a range of spatial and temporal scales, and parallel, large ensembles of simulations to more effectively explore model sensitivities and uncertainties. Numerical techniques, such as adaptive mesh refinement, implicit time integration, and separate treatment of fast physical time scales are enabling improved accuracy and fidelity in simulation of dynamics and allow more complete representations of climate features at the global scale. At the same time, part- nerships with computer science teams have focused on taking advantage of evolving computer architectures, such as many-core processors and GPUs, so that these approaches which were previously considered prohibitively costly have become both more efficient and scalable. In combination, progress in these three critical areas is poised to transform climate modeling in the coming decades.

  18. Can numerical simulations accurately predict hydrodynamic instabilities in liquid films?

    NASA Astrophysics Data System (ADS)

    Denner, Fabian; Charogiannis, Alexandros; Pradas, Marc; van Wachem, Berend G. M.; Markides, Christos N.; Kalliadasis, Serafim

    2014-11-01

    Understanding the dynamics of hydrodynamic instabilities in liquid film flows is an active field of research in fluid dynamics and non-linear science in general. Numerical simulations offer a powerful tool to study hydrodynamic instabilities in film flows and can provide deep insights into the underlying physical phenomena. However, the direct comparison of numerical results and experimental results is often hampered by several reasons. For instance, in numerical simulations the interface representation is problematic and the governing equations and boundary conditions may be oversimplified, whereas in experiments it is often difficult to extract accurate information on the fluid and its behavior, e.g. determine the fluid properties when the liquid contains particles for PIV measurements. In this contribution we present the latest results of our on-going, extensive study on hydrodynamic instabilities in liquid film flows, which includes direct numerical simulations, low-dimensional modelling as well as experiments. The major focus is on wave regimes, wave height and wave celerity as a function of Reynolds number and forcing frequency of a falling liquid film. Specific attention is paid to the differences in numerical and experimental results and the reasons for these differences. The authors are grateful to the EPSRC for their financial support (Grant EP/K008595/1).

  19. How Accurate Are Transition States from Simulations of Enzymatic Reactions?

    PubMed Central

    2015-01-01

    The rate expression of traditional transition state theory (TST) assumes no recrossing of the transition state (TS) and thermal quasi-equilibrium between the ground state and the TS. Currently, it is not well understood to what extent these assumptions influence the nature of the activated complex obtained in traditional TST-based simulations of processes in the condensed phase in general and in enzymes in particular. Here we scrutinize these assumptions by characterizing the TSs for hydride transfer catalyzed by the enzyme Escherichia coli dihydrofolate reductase obtained using various simulation approaches. Specifically, we compare the TSs obtained with common TST-based methods and a dynamics-based method. Using a recently developed accurate hybrid quantum mechanics/molecular mechanics potential, we find that the TST-based and dynamics-based methods give considerably different TS ensembles. This discrepancy, which could be due equilibrium solvation effects and the nature of the reaction coordinate employed and its motion, raises major questions about how to interpret the TSs determined by common simulation methods. We conclude that further investigation is needed to characterize the impact of various TST assumptions on the TS phase-space ensemble and on the reaction kinetics. PMID:24860275

  20. Symphony: a framework for accurate and holistic WSN simulation.

    PubMed

    Riliskis, Laurynas; Osipov, Evgeny

    2015-02-25

    Research on wireless sensor networks has progressed rapidly over the last decade, and these technologies have been widely adopted for both industrial and domestic uses. Several operating systems have been developed, along with a multitude of network protocols for all layers of the communication stack. Industrial Wireless Sensor Network (WSN) systems must satisfy strict criteria and are typically more complex and larger in scale than domestic systems. Together with the non-deterministic behavior of network hardware in real settings, this greatly complicates the debugging and testing of WSN functionality. To facilitate the testing, validation, and debugging of large-scale WSN systems, we have developed a simulation framework that accurately reproduces the processes that occur inside real equipment, including both hardware- and software-induced delays. The core of the framework consists of a virtualized operating system and an emulated hardware platform that is integrated with the general purpose network simulator ns-3. Our framework enables the user to adjust the real code base as would be done in real deployments and also to test the boundary effects of different hardware components on the performance of distributed applications and protocols. Additionally we have developed a clock emulator with several different skew models and a component that handles sensory data feeds. The new framework should substantially shorten WSN application development cycles.

  1. Symphony: A Framework for Accurate and Holistic WSN Simulation

    PubMed Central

    Riliskis, Laurynas; Osipov, Evgeny

    2015-01-01

    Research on wireless sensor networks has progressed rapidly over the last decade, and these technologies have been widely adopted for both industrial and domestic uses. Several operating systems have been developed, along with a multitude of network protocols for all layers of the communication stack. Industrial Wireless Sensor Network (WSN) systems must satisfy strict criteria and are typically more complex and larger in scale than domestic systems. Together with the non-deterministic behavior of network hardware in real settings, this greatly complicates the debugging and testing of WSN functionality. To facilitate the testing, validation, and debugging of large-scale WSN systems, we have developed a simulation framework that accurately reproduces the processes that occur inside real equipment, including both hardware- and software-induced delays. The core of the framework consists of a virtualized operating system and an emulated hardware platform that is integrated with the general purpose network simulator ns-3. Our framework enables the user to adjust the real code base as would be done in real deployments and also to test the boundary effects of different hardware components on the performance of distributed applications and protocols. Additionally we have developed a clock emulator with several different skew models and a component that handles sensory data feeds. The new framework should substantially shorten WSN application development cycles. PMID:25723144

  2. Accurate bs and w testing important for crude-oil custody transfer

    SciTech Connect

    Williams, J. )

    1990-11-12

    This paper discusses how monitoring crude-oil sediment and water content at the field production site is essential in accurate crude-oil custody transfer operations. This is accomplished by manual methods, or on-line devices like capacitance, density, or energy-absorption analyzers. For custody-transfer purposes, sediment and water is determined by a test which follows one of the API manuals of petroleum measurement standards (MPMS). Typically, this test is conducted in the field by the field centrifuge method which, if performed properly, yields very accurate results. Laboratory tests can be performed, but sample handling becomes even more critical.

  3. Massively Parallel Processing for Fast and Accurate Stamping Simulations

    NASA Astrophysics Data System (ADS)

    Gress, Jeffrey J.; Xu, Siguang; Joshi, Ramesh; Wang, Chuan-tao; Paul, Sabu

    2005-08-01

    The competitive automotive market drives automotive manufacturers to speed up the vehicle development cycles and reduce the lead-time. Fast tooling development is one of the key areas to support fast and short vehicle development programs (VDP). In the past ten years, the stamping simulation has become the most effective validation tool in predicting and resolving all potential formability and quality problems before the dies are physically made. The stamping simulation and formability analysis has become an critical business segment in GM math-based die engineering process. As the simulation becomes as one of the major production tools in engineering factory, the simulation speed and accuracy are the two of the most important measures for stamping simulation technology. The speed and time-in-system of forming analysis becomes an even more critical to support the fast VDP and tooling readiness. Since 1997, General Motors Die Center has been working jointly with our software vendor to develop and implement a parallel version of simulation software for mass production analysis applications. By 2001, this technology was matured in the form of distributed memory processing (DMP) of draw die simulations in a networked distributed memory computing environment. In 2004, this technology was refined to massively parallel processing (MPP) and extended to line die forming analysis (draw, trim, flange, and associated spring-back) running on a dedicated computing environment. The evolution of this technology and the insight gained through the implementation of DM0P/MPP technology as well as performance benchmarks are discussed in this publication.

  4. The FLUKA Code: An Accurate Simulation Tool for Particle Therapy

    PubMed Central

    Battistoni, Giuseppe; Bauer, Julia; Boehlen, Till T.; Cerutti, Francesco; Chin, Mary P. W.; Dos Santos Augusto, Ricardo; Ferrari, Alfredo; Ortega, Pablo G.; Kozłowska, Wioletta; Magro, Giuseppe; Mairani, Andrea; Parodi, Katia; Sala, Paola R.; Schoofs, Philippe; Tessonnier, Thomas; Vlachoudis, Vasilis

    2016-01-01

    Monte Carlo (MC) codes are increasingly spreading in the hadrontherapy community due to their detailed description of radiation transport and interaction with matter. The suitability of a MC code for application to hadrontherapy demands accurate and reliable physical models capable of handling all components of the expected radiation field. This becomes extremely important for correctly performing not only physical but also biologically based dose calculations, especially in cases where ions heavier than protons are involved. In addition, accurate prediction of emerging secondary radiation is of utmost importance in innovative areas of research aiming at in vivo treatment verification. This contribution will address the recent developments of the FLUKA MC code and its practical applications in this field. Refinements of the FLUKA nuclear models in the therapeutic energy interval lead to an improved description of the mixed radiation field as shown in the presented benchmarks against experimental data with both 4He and 12C ion beams. Accurate description of ionization energy losses and of particle scattering and interactions lead to the excellent agreement of calculated depth–dose profiles with those measured at leading European hadron therapy centers, both with proton and ion beams. In order to support the application of FLUKA in hospital-based environments, Flair, the FLUKA graphical interface, has been enhanced with the capability of translating CT DICOM images into voxel-based computational phantoms in a fast and well-structured way. The interface is capable of importing also radiotherapy treatment data described in DICOM RT standard. In addition, the interface is equipped with an intuitive PET scanner geometry generator and automatic recording of coincidence events. Clinically, similar cases will be presented both in terms of absorbed dose and biological dose calculations describing the various available features. PMID:27242956

  5. The FLUKA Code: An Accurate Simulation Tool for Particle Therapy.

    PubMed

    Battistoni, Giuseppe; Bauer, Julia; Boehlen, Till T; Cerutti, Francesco; Chin, Mary P W; Dos Santos Augusto, Ricardo; Ferrari, Alfredo; Ortega, Pablo G; Kozłowska, Wioletta; Magro, Giuseppe; Mairani, Andrea; Parodi, Katia; Sala, Paola R; Schoofs, Philippe; Tessonnier, Thomas; Vlachoudis, Vasilis

    2016-01-01

    Monte Carlo (MC) codes are increasingly spreading in the hadrontherapy community due to their detailed description of radiation transport and interaction with matter. The suitability of a MC code for application to hadrontherapy demands accurate and reliable physical models capable of handling all components of the expected radiation field. This becomes extremely important for correctly performing not only physical but also biologically based dose calculations, especially in cases where ions heavier than protons are involved. In addition, accurate prediction of emerging secondary radiation is of utmost importance in innovative areas of research aiming at in vivo treatment verification. This contribution will address the recent developments of the FLUKA MC code and its practical applications in this field. Refinements of the FLUKA nuclear models in the therapeutic energy interval lead to an improved description of the mixed radiation field as shown in the presented benchmarks against experimental data with both (4)He and (12)C ion beams. Accurate description of ionization energy losses and of particle scattering and interactions lead to the excellent agreement of calculated depth-dose profiles with those measured at leading European hadron therapy centers, both with proton and ion beams. In order to support the application of FLUKA in hospital-based environments, Flair, the FLUKA graphical interface, has been enhanced with the capability of translating CT DICOM images into voxel-based computational phantoms in a fast and well-structured way. The interface is capable of importing also radiotherapy treatment data described in DICOM RT standard. In addition, the interface is equipped with an intuitive PET scanner geometry generator and automatic recording of coincidence events. Clinically, similar cases will be presented both in terms of absorbed dose and biological dose calculations describing the various available features.

  6. Simulated oil release from oil-contaminated marine sediment in the Bohai Sea, China.

    PubMed

    Yuan, Lingling; Han, Longxi; Bo, Wenjie; Chen, Hua; Gao, Wenshen; Chen, Bo

    2017-02-17

    There is a high degree of heavy oil partitioning into marine sediments when an oil spill occurs. Contaminated sediment, as an endogenous pollution source, can re-pollute overlying water slowly. In this study, a static oil release process and its effects in marine sediment was investigated through a series of experiments with reproductive heavy oil-contaminated marine sediment. The oil release process was accurately simulated with a Lagergren first-order equation and reached equilibration after 48h. The fitted curve for equilibrium concentration (C0) and first-order rate constant (k1) for sediment pollution levels exhibited a first-order log relationship. The instantaneous release rate (dCtdt) was also calculated. The C0 increased with increases in temperature and dissolved organic matter (DOM), and decreasing salinity. The k1 increased with temperature, but was not affected by DOM and salinity. These results can be used to better understand the fate of heavy oil in contaminated sediments of the Bohai Sea.

  7. Accurate Simulation of Acoustic Emission Sources in Composite Plates

    NASA Technical Reports Server (NTRS)

    Prosser, W. H.; Gorman, M. R.

    1994-01-01

    Acoustic emission (AE) signals propagate as the extensional and flexural plate modes in thin composite plates and plate-like geometries such as shells, pipes, and tubes. The relative amplitude of the two modes depends on the directionality of the source motion. For source motions with large out-of-plane components such as delaminations or particle impact, the flexural or bending plate mode dominates the AE signal with only a small extensional mode detected. A signal from such a source is well simulated with the standard pencil lead break (Hsu-Neilsen source) on the surface of the plate. For other sources such as matrix cracking or fiber breakage in which the source motion is primarily in-plane, the resulting AE signal has a large extensional mode component with little or no flexural mode observed. Signals from these type sources can also be simulated with pencil lead breaks. However, the lead must be fractured on the edge of the plate to generate an in-plane source motion rather than on the surface of the plate. In many applications such as testing of pressure vessels and piping or aircraft structures, a free edge is either not available or not in a desired location for simulation of in-plane type sources. In this research, a method was developed which allows the simulation of AE signals with a predominant extensional mode component in composite plates requiring access to only the surface of the plate.

  8. Towards accurate quantum simulations of large systems with small computers

    NASA Astrophysics Data System (ADS)

    Yang, Yonggang

    2017-01-01

    Numerical simulations are important for many systems. In particular, various standard computer programs have been developed for solving the quantum Schrödinger equations. However, the accuracy of these calculations is limited by computer capabilities. In this work, an iterative method is introduced to enhance the accuracy of these numerical calculations, which is otherwise prohibitive by conventional methods. The method is easily implementable and general for many systems.

  9. Towards accurate quantum simulations of large systems with small computers.

    PubMed

    Yang, Yonggang

    2017-01-24

    Numerical simulations are important for many systems. In particular, various standard computer programs have been developed for solving the quantum Schrödinger equations. However, the accuracy of these calculations is limited by computer capabilities. In this work, an iterative method is introduced to enhance the accuracy of these numerical calculations, which is otherwise prohibitive by conventional methods. The method is easily implementable and general for many systems.

  10. Accurate, practical simulation of satellite infrared radiometer spectral data

    SciTech Connect

    Sullivan, T.J.

    1982-09-01

    This study's purpose is to determine whether a relatively simple random band model formulation of atmospheric radiation transfer in the infrared region can provide valid simulations of narrow interval satellite-borne infrared sounder system data. Detailed ozonesondes provide the pertinent atmospheric information and sets of calibrated satellite measurements provide the validation. High resolution line-by-line model calculations are included to complete the evaluation.

  11. Towards accurate quantum simulations of large systems with small computers

    PubMed Central

    Yang, Yonggang

    2017-01-01

    Numerical simulations are important for many systems. In particular, various standard computer programs have been developed for solving the quantum Schrödinger equations. However, the accuracy of these calculations is limited by computer capabilities. In this work, an iterative method is introduced to enhance the accuracy of these numerical calculations, which is otherwise prohibitive by conventional methods. The method is easily implementable and general for many systems. PMID:28117366

  12. Quantum circuit design for accurate simulation of qudit channels

    NASA Astrophysics Data System (ADS)

    Wang, Dong-Sheng; Sanders, Barry C.

    2015-04-01

    We construct a classical algorithm that designs quantum circuits for algorithmic quantum simulation of arbitrary qudit channels on fault-tolerant quantum computers within a pre-specified error tolerance with respect to diamond-norm distance. The classical algorithm is constructed by decomposing a quantum channel into a convex combination of generalized extreme channels by convex optimization of a set of nonlinear coupled algebraïc equations. The resultant circuit is a randomly chosen generalized extreme channel circuit whose run-time is logarithmic with respect to the error tolerance and quadratic with respect to Hilbert space dimension, which requires only a single ancillary qudit plus classical dits.

  13. Accurate numerical simulation of short fiber optical parametric amplifiers.

    PubMed

    Marhic, M E; Rieznik, A A; Kalogerakis, G; Braimiotis, C; Fragnito, H L; Kazovsky, L G

    2008-03-17

    We improve the accuracy of numerical simulations for short fiber optical parametric amplifiers (OPAs). Instead of using the usual coarse-step method, we adopt a model for birefringence and dispersion which uses fine-step variations of the parameters. We also improve the split-step Fourier method by exactly treating the nonlinear ellipse rotation terms. We find that results obtained this way for two-pump OPAs can be significantly different from those obtained by using the usual coarse-step fiber model, and/or neglecting ellipse rotation terms.

  14. Accurate direct Eulerian simulation of dynamic elastic-plastic flow

    SciTech Connect

    Kamm, James R; Walter, John W

    2009-01-01

    The simulation of dynamic, large strain deformation is an important, difficult, and unsolved computational challenge. Existing Eulerian schemes for dynamic material response are plagued by unresolved issues. We present a new scheme for the first-order system of elasto-plasticity equations in the Eulerian frame. This system has an intrinsic constraint on the inverse deformation gradient. Standard Godunov schemes do not satisfy this constraint. The method of Flux Distributions (FD) was devised to discretely enforce such constraints for numerical schemes with cell-centered variables. We describe a Flux Distribution approach that enforces the inverse deformation gradient constraint. As this approach is new and novel, we do not yet have numerical results to validate our claims. This paper is the first installment of our program to develop this new method.

  15. Accurate Position Sensing of Defocused Beams Using Simulated Beam Templates

    SciTech Connect

    Awwal, A; Candy, J; Haynam, C; Widmayer, C; Bliss, E; Burkhart, S

    2004-09-29

    In position detection using matched filtering one is faced with the challenge of determining the best position in the presence of distortions such as defocus and diffraction noise. This work evaluates the performance of simulated defocused images as the template against the real defocused beam. It was found that an amplitude modulated phase-only filter is better equipped to deal with real defocused images that suffer from diffraction noise effects resulting in a textured spot intensity pattern. It is shown that the there is a tradeoff of performance dependent upon the type and size of the defocused image. A novel automated system was developed that can automatically select the right template type and size. Results of this automation for real defocused images are presented.

  16. Efficient and accurate simulation of dynamic dielectric objects.

    PubMed

    Barros, Kipton; Sinkovits, Daniel; Luijten, Erik

    2014-02-14

    Electrostatic interactions between dielectric objects are complex and of a many-body nature, owing to induced surface bound charge. We present a collection of techniques to simulate dynamical dielectric objects. We calculate the surface bound charge from a matrix equation using the Generalized Minimal Residue method (GMRES). Empirically, we find that GMRES converges very quickly. Indeed, our detailed analysis suggests that the relevant matrix has a very compact spectrum for all non-degenerate dielectric geometries. Each GMRES iteration can be evaluated using a fast Ewald solver with cost that scales linearly or near-linearly in the number of surface charge elements. We analyze several previously proposed methods for calculating the bound charge, and show that our approach compares favorably.

  17. Toward the Accurate Simulation of Two-Dimensional Electronic Spectra

    NASA Astrophysics Data System (ADS)

    Giussani, Angelo; Nenov, Artur; Segarra-Martí, Javier; Jaiswal, Vishal K.; Rivalta, Ivan; Dumont, Elise; Mukamel, Shaul; Garavelli, Marco

    2015-06-01

    Two-dimensional pump-probe electronic spectroscopy is a powerful technique able to provide both high spectral and temporal resolution, allowing the analysis of ultrafast complex reactions occurring via complementary pathways by the identification of decay-specific fingerprints. [1-2] The understanding of the origin of the experimentally recorded signals in a two-dimensional electronic spectrum requires the characterization of the electronic states involved in the electronic transitions photoinduced by the pump/probe pulses in the experiment. Such a goal constitutes a considerable computational challenge, since up to 100 states need to be described, for which state-of-the-art methods as RASSCF and RASPT2 have to be wisely employed. [3] With the present contribution, the main features and potentialities of two-dimensional electronic spectroscopy are presented, together with the machinery in continuous development in our groups in order to compute two-dimensional electronic spectra. The results obtained using different level of theory and simulations are shown, bringing as examples the computed two-dimensional electronic spectra for some specific cases studied. [2-4] [1] Rivalta I, Nenov A, Cerullo G, Mukamel S, Garavelli M, Int. J. Quantum Chem., 2014, 114, 85 [2] Nenov A, Segarra-Martí J, Giussani A, Conti I, Rivalta I, Dumont E, Jaiswal V K, Altavilla S, Mukamel S, Garavelli M, Faraday Discuss. 2015, DOI: 10.1039/C4FD00175C [3] Nenov A, Giussani A, Segarra-Martí J, Jaiswal V K, Rivalta I, Cerullo G, Mukamel S, Garavelli M, J. Chem. Phys. submitted [4] Nenov A, Giussani A, Fingerhut B P, Rivalta I, Dumont E, Mukamel S, Garavelli M, Phys. Chem. Chem. Phys. Submitted [5] Krebs N, Pugliesi I, Hauer J, Riedle E, New J. Phys., 2013,15, 08501

  18. Compositional and black oil reservoir simulation

    SciTech Connect

    Coats, K.H.; Thomas, L.K.; Pierson, R.G.

    1995-12-31

    This paper describes a three-dimensional, three-phase reservoir simulation model for black oil and compositional applications. Both IMPES and fully implicit formulations are included. The model`s use of a relaxed volume balance concept effectively conserves both mass and volume and reduces Newton iterations. A new implicit well rate calculation method improves IMPES stability. It approximates wellbore crossflow effects with high efficiency and relative simplicity in both IMPES and fully implicit formulations. Multiphase flow in the tubing and near-well turbulent gas flow effects are treated implicitly. Initial saturations are calculated as a function of water-oil and gas-oil capillary pressures which are optimally dependent upon the Leverett J function or initial saturations may be entered as data arrays. A normalization of the relative permeability and capillary pressure curves is used to calculate these terms as a function of rock type and grid block residual saturations. Example problems are presented, including several of the SPE Comparative Solution problems and field simulations. 48 refs.

  19. Accurate Behavioral Simulator of All-Digital Time-Domain Smart Temperature Sensors by Using SIMULINK.

    PubMed

    Chen, Chun-Chi; Chen, Chao-Lieh; Lin, You-Ting

    2016-08-08

    This study proposes a new behavioral simulator that uses SIMULINK for all-digital CMOS time-domain smart temperature sensors (TDSTSs) for performing rapid and accurate simulations. Inverter-based TDSTSs offer the benefits of low cost and simple structure for temperature-to-digital conversion and have been developed. Typically, electronic design automation tools, such as HSPICE, are used to simulate TDSTSs for performance evaluations. However, such tools require extremely long simulation time and complex procedures to analyze the results and generate figures. In this paper, we organize simple but accurate equations into a temperature-dependent model (TDM) by which the TDSTSs evaluate temperature behavior. Furthermore, temperature-sensing models of a single CMOS NOT gate were devised using HSPICE simulations. Using the TDM and these temperature-sensing models, a novel simulator in SIMULINK environment was developed to substantially accelerate the simulation and simplify the evaluation procedures. Experiments demonstrated that the simulation results of the proposed simulator have favorable agreement with those obtained from HSPICE simulations, showing that the proposed simulator functions successfully. This is the first behavioral simulator addressing the rapid simulation of TDSTSs.

  20. Accurate Behavioral Simulator of All-Digital Time-Domain Smart Temperature Sensors by Using SIMULINK

    PubMed Central

    Chen, Chun-Chi; Chen, Chao-Lieh; Lin, You-Ting

    2016-01-01

    This study proposes a new behavioral simulator that uses SIMULINK for all-digital CMOS time-domain smart temperature sensors (TDSTSs) for performing rapid and accurate simulations. Inverter-based TDSTSs offer the benefits of low cost and simple structure for temperature-to-digital conversion and have been developed. Typically, electronic design automation tools, such as HSPICE, are used to simulate TDSTSs for performance evaluations. However, such tools require extremely long simulation time and complex procedures to analyze the results and generate figures. In this paper, we organize simple but accurate equations into a temperature-dependent model (TDM) by which the TDSTSs evaluate temperature behavior. Furthermore, temperature-sensing models of a single CMOS NOT gate were devised using HSPICE simulations. Using the TDM and these temperature-sensing models, a novel simulator in SIMULINK environment was developed to substantially accelerate the simulation and simplify the evaluation procedures. Experiments demonstrated that the simulation results of the proposed simulator have favorable agreement with those obtained from HSPICE simulations, showing that the proposed simulator functions successfully. This is the first behavioral simulator addressing the rapid simulation of TDSTSs. PMID:27509507

  1. Time Accurate Unsteady Pressure Loads Simulated for the Space Launch System at a Wind Tunnel Condition

    NASA Technical Reports Server (NTRS)

    Alter, Stephen J.; Brauckmann, Gregory J.; Kleb, Bil; Streett, Craig L; Glass, Christopher E.; Schuster, David M.

    2015-01-01

    Using the Fully Unstructured Three-Dimensional (FUN3D) computational fluid dynamics code, an unsteady, time-accurate flow field about a Space Launch System configuration was simulated at a transonic wind tunnel condition (Mach = 0.9). Delayed detached eddy simulation combined with Reynolds Averaged Naiver-Stokes and a Spallart-Almaras turbulence model were employed for the simulation. Second order accurate time evolution scheme was used to simulate the flow field, with a minimum of 0.2 seconds of simulated time to as much as 1.4 seconds. Data was collected at 480 pressure taps at locations, 139 of which matched a 3% wind tunnel model, tested in the Transonic Dynamic Tunnel (TDT) facility at NASA Langley Research Center. Comparisons between computation and experiment showed agreement within 5% in terms of location for peak RMS levels, and 20% for frequency and magnitude of power spectral densities. Grid resolution and time step sensitivity studies were performed to identify methods for improved accuracy comparisons to wind tunnel data. With limited computational resources, accurate trends for reduced vibratory loads on the vehicle were observed. Exploratory methods such as determining minimized computed errors based on CFL number and sub-iterations, as well as evaluating frequency content of the unsteady pressures and evaluation of oscillatory shock structures were used in this study to enhance computational efficiency and solution accuracy. These techniques enabled development of a set of best practices, for the evaluation of future flight vehicle designs in terms of vibratory loads.

  2. Accurate simulation of transient landscape evolution by eliminating numerical diffusion: the TTLEM 1.0 model

    NASA Astrophysics Data System (ADS)

    Campforts, Benjamin; Schwanghart, Wolfgang; Govers, Gerard

    2017-01-01

    Landscape evolution models (LEMs) allow the study of earth surface responses to changing climatic and tectonic forcings. While much effort has been devoted to the development of LEMs that simulate a wide range of processes, the numerical accuracy of these models has received less attention. Most LEMs use first-order accurate numerical methods that suffer from substantial numerical diffusion. Numerical diffusion particularly affects the solution of the advection equation and thus the simulation of retreating landforms such as cliffs and river knickpoints. This has potential consequences for the integrated response of the simulated landscape. Here we test a higher-order flux-limiting finite volume method that is total variation diminishing (TVD-FVM) to solve the partial differential equations of river incision and tectonic displacement. We show that using the TVD-FVM to simulate river incision significantly influences the evolution of simulated landscapes and the spatial and temporal variability of catchment-wide erosion rates. Furthermore, a two-dimensional TVD-FVM accurately simulates the evolution of landscapes affected by lateral tectonic displacement, a process whose simulation was hitherto largely limited to LEMs with flexible spatial discretization. We implement the scheme in TTLEM (TopoToolbox Landscape Evolution Model), a spatially explicit, raster-based LEM for the study of fluvially eroding landscapes in TopoToolbox 2.

  3. Accurate and precise determination of critical properties from Gibbs ensemble Monte Carlo simulations

    SciTech Connect

    Dinpajooh, Mohammadhasan; Bai, Peng; Allan, Douglas A.; Siepmann, J. Ilja

    2015-09-21

    Since the seminal paper by Panagiotopoulos [Mol. Phys. 61, 813 (1997)], the Gibbs ensemble Monte Carlo (GEMC) method has been the most popular particle-based simulation approach for the computation of vapor–liquid phase equilibria. However, the validity of GEMC simulations in the near-critical region has been questioned because rigorous finite-size scaling approaches cannot be applied to simulations with fluctuating volume. Valleau [Mol. Simul. 29, 627 (2003)] has argued that GEMC simulations would lead to a spurious overestimation of the critical temperature. More recently, Patel et al. [J. Chem. Phys. 134, 024101 (2011)] opined that the use of analytical tail corrections would be problematic in the near-critical region. To address these issues, we perform extensive GEMC simulations for Lennard-Jones particles in the near-critical region varying the system size, the overall system density, and the cutoff distance. For a system with N = 5500 particles, potential truncation at 8σ and analytical tail corrections, an extrapolation of GEMC simulation data at temperatures in the range from 1.27 to 1.305 yields T{sub c} = 1.3128 ± 0.0016, ρ{sub c} = 0.316 ± 0.004, and p{sub c} = 0.1274 ± 0.0013 in excellent agreement with the thermodynamic limit determined by Potoff and Panagiotopoulos [J. Chem. Phys. 109, 10914 (1998)] using grand canonical Monte Carlo simulations and finite-size scaling. Critical properties estimated using GEMC simulations with different overall system densities (0.296 ≤ ρ{sub t} ≤ 0.336) agree to within the statistical uncertainties. For simulations with tail corrections, data obtained using r{sub cut} = 3.5σ yield T{sub c} and p{sub c} that are higher by 0.2% and 1.4% than simulations with r{sub cut} = 5 and 8σ but still with overlapping 95% confidence intervals. In contrast, GEMC simulations with a truncated and shifted potential show that r{sub cut} = 8σ is insufficient to obtain accurate results. Additional GEMC simulations for hard

  4. Accurate Evaluation of the Dispersion Energy in the Simulation of Gas Adsorption into Porous Zeolites.

    PubMed

    Fraccarollo, Alberto; Canti, Lorenzo; Marchese, Leonardo; Cossi, Maurizio

    2017-03-07

    The force fields used to simulate the gas adsorption in porous materials are strongly dominated by the van der Waals (vdW) terms. Here we discuss the delicate problem to estimate these terms accurately, analyzing the effect of different models. To this end, we simulated the physisorption of CH4, CO2, and Ar into various Al-free microporous zeolites (ITQ-29, SSZ-13, and silicalite-1), comparing the theoretical results with accurate experimental isotherms. The vdW terms in the force fields were parametrized against the free gas densities and high-level quantum mechanical (QM) calculations, comparing different methods to evaluate the dispersion energies. In particular, MP2 and DFT with semiempirical corrections, with suitable basis sets, were chosen to approximate the best QM calculations; either Lennard-Jones or Morse expressions were used to include the vdW terms in the force fields. The comparison of the simulated and experimental isotherms revealed that a strong interplay exists between the definition of the dispersion energies and the functional form used in the force field; these results are fairly general and reproducible, at least for the systems considered here. On this basis, the reliability of different models can be discussed, and a recipe can be provided to obtain accurate simulated adsorption isotherms.

  5. A GPU tool for efficient, accurate, and realistic simulation of cone beam CT projections

    PubMed Central

    Jia, Xun; Yan, Hao; Cerviño, Laura; Folkerts, Michael; Jiang, Steve B.

    2012-01-01

    Purpose: Simulation of x-ray projection images plays an important role in cone beam CT (CBCT) related research projects, such as the design of reconstruction algorithms or scanners. A projection image contains primary signal, scatter signal, and noise. It is computationally demanding to perform accurate and realistic computations for all of these components. In this work, the authors develop a package on graphics processing unit (GPU), called gDRR, for the accurate and efficient computations of x-ray projection images in CBCT under clinically realistic conditions. Methods: The primary signal is computed by a trilinear ray-tracing algorithm. A Monte Carlo (MC) simulation is then performed, yielding the primary signal and the scatter signal, both with noise. A denoising process specifically designed for Poisson noise removal is applied to obtain a smooth scatter signal. The noise component is then obtained by combining the difference between the MC primary and the ray-tracing primary signals, and the difference between the MC simulated scatter and the denoised scatter signals. Finally, a calibration step converts the calculated noise signal into a realistic one by scaling its amplitude according to a specified mAs level. The computations of gDRR include a number of realistic features, e.g., a bowtie filter, a polyenergetic spectrum, and detector response. The implementation is fine-tuned for a GPU platform to yield high computational efficiency. Results: For a typical CBCT projection with a polyenergetic spectrum, the calculation time for the primary signal using the ray-tracing algorithms is 1.2–2.3 s, while the MC simulations take 28.1–95.3 s, depending on the voxel size. Computation time for all other steps is negligible. The ray-tracing primary signal matches well with the primary part of the MC simulation result. The MC simulated scatter signal using gDRR is in agreement with EGSnrc results with a relative difference of 3.8%. A noise calibration process is

  6. CgWind: A high-order accurate simulation tool for wind turbines and wind farms

    SciTech Connect

    Chand, K K; Henshaw, W D; Lundquist, K A; Singer, M A

    2010-02-22

    CgWind is a high-fidelity large eddy simulation (LES) tool designed to meet the modeling needs of wind turbine and wind park engineers. This tool combines several advanced computational technologies in order to model accurately the complex and dynamic nature of wind energy applications. The composite grid approach provides high-quality structured grids for the efficient implementation of high-order accurate discretizations of the incompressible Navier-Stokes equations. Composite grids also provide a natural mechanism for modeling bodies in relative motion and complex geometry. Advanced algorithms such as matrix-free multigrid, compact discretizations and approximate factorization will allow CgWind to perform highly resolved calculations efficiently on a wide class of computing resources. Also in development are nonlinear LES subgrid-scale models required to simulate the many interacting scales present in large wind turbine applications. This paper outlines our approach, the current status of CgWind and future development plans.

  7. Turmoil: A Simulation Game Dealing With International Oil Trade

    ERIC Educational Resources Information Center

    Kelly, Robert

    1976-01-01

    This simulation game is intended to help secondary students understand the complexities of the international oil trade. Students represent nations involved in trading oil and other commodities. The game takes about five classroom periods to teach. The article includes all essential materials. (Author/RM)

  8. Improving light propagation Monte Carlo simulations with accurate 3D modeling of skin tissue

    SciTech Connect

    Paquit, Vincent C; Price, Jeffery R; Meriaudeau, Fabrice; Tobin Jr, Kenneth William

    2008-01-01

    In this paper, we present a 3D light propagation model to simulate multispectral reflectance images of large skin surface areas. In particular, we aim to simulate more accurately the effects of various physiological properties of the skin in the case of subcutaneous vein imaging compared to existing models. Our method combines a Monte Carlo light propagation model, a realistic three-dimensional model of the skin using parametric surfaces and a vision system for data acquisition. We describe our model in detail, present results from the Monte Carlo modeling and compare our results with those obtained with a well established Monte Carlo model and with real skin reflectance images.

  9. Time-Accurate Simulations and Acoustic Analysis of Slat Free-Shear-Layer. Part 2

    NASA Technical Reports Server (NTRS)

    Khorrami, Mehdi R.; Singer, Bart A.; Lockard, David P.

    2002-01-01

    Unsteady computational simulations of a multi-element, high-lift configuration are performed. Emphasis is placed on accurate spatiotemporal resolution of the free shear layer in the slat-cove region. The excessive dissipative effects of the turbulence model, so prevalent in previous simulations, are circumvented by switching off the turbulence-production term in the slat cove region. The justifications and physical arguments for taking such a step are explained in detail. The removal of this excess damping allows the shear layer to amplify large-scale structures, to achieve a proper non-linear saturation state, and to permit vortex merging. The large-scale disturbances are self-excited, and unlike our prior fully turbulent simulations, no external forcing of the shear layer is required. To obtain the farfield acoustics, the Ffowcs Williams and Hawkings equation is evaluated numerically using the simulated time-accurate flow data. The present comparison between the computed and measured farfield acoustic spectra shows much better agreement for the amplitude and frequency content than past calculations. The effect of the angle-of-attack on the slat's flow features radiated acoustic field are also simulated presented.

  10. Reducing US Oil Dependence Using Simulation

    NASA Technical Reports Server (NTRS)

    Ayoub, Fadi; Arnaout, Georges M.

    2011-01-01

    People across the world are addicted to oil; as a result, the instability of oil prices and the shortage of oil reserves have influenced human behaviors and global businesses. Today, the United States makes up only 5% of the global population but consumes 25% of the. world total energy. Most of this energy is generated from fossil fuels in the form of electricity. The contribution of this paper is to examine the possibilities of replacing fossil fuel with renewable energies to generate electricity as well as to examine other methods to reduce oil and gas consumption. We propose a system dynamics model in an attempt to predict the future US dependence on fossil fuels by using renewable energy resources such as, nuclear, wind, solar, and hydro powers. Based on the findings of our model, the study expects to provide insights towards promising solutions of the oil dependency problem.

  11. Accurate and general treatment of electrostatic interaction in Hamiltonian adaptive resolution simulations

    NASA Astrophysics Data System (ADS)

    Heidari, M.; Cortes-Huerto, R.; Donadio, D.; Potestio, R.

    2016-10-01

    In adaptive resolution simulations the same system is concurrently modeled with different resolution in different subdomains of the simulation box, thereby enabling an accurate description in a small but relevant region, while the rest is treated with a computationally parsimonious model. In this framework, electrostatic interaction, whose accurate treatment is a crucial aspect in the realistic modeling of soft matter and biological systems, represents a particularly acute problem due to the intrinsic long-range nature of Coulomb potential. In the present work we propose and validate the usage of a short-range modification of Coulomb potential, the Damped shifted force (DSF) model, in the context of the Hamiltonian adaptive resolution simulation (H-AdResS) scheme. This approach, which is here validated on bulk water, ensures a reliable reproduction of the structural and dynamical properties of the liquid, and enables a seamless embedding in the H-AdResS framework. The resulting dual-resolution setup is implemented in the LAMMPS simulation package, and its customized version employed in the present work is made publicly available.

  12. Time Accurate CFD Simulations of the Orion Launch Abort Vehicle in the Transonic Regime

    NASA Technical Reports Server (NTRS)

    Ruf, Joseph; Rojahn, Josh

    2011-01-01

    Significant asymmetries in the fluid dynamics were calculated for some cases in the CFD simulations of the Orion Launch Abort Vehicle through its abort trajectories. The CFD simulations were performed steady state with symmetric boundary conditions and geometries. The trajectory points at issue were in the transonic regime, at 0 and 5 angles of attack with the Abort Motors with and without the Attitude Control Motors (ACM) firing. In some of the cases the asymmetric fluid dynamics resulted in aerodynamic side forces that were large enough that would overcome the control authority of the ACMs. MSFC s Fluid Dynamics Group supported the investigation into the cause of the flow asymmetries with time accurate CFD simulations, utilizing a hybrid RANS-LES turbulence model. The results show that the flow over the vehicle and the subsequent interaction with the AB and ACM motor plumes were unsteady. The resulting instantaneous aerodynamic forces were oscillatory with fairly large magnitudes. Time averaged aerodynamic forces were essentially symmetric.

  13. Accurate and efficient halo-based galaxy clustering modelling with simulations

    NASA Astrophysics Data System (ADS)

    Zheng, Zheng; Guo, Hong

    2016-06-01

    Small- and intermediate-scale galaxy clustering can be used to establish the galaxy-halo connection to study galaxy formation and evolution and to tighten constraints on cosmological parameters. With the increasing precision of galaxy clustering measurements from ongoing and forthcoming large galaxy surveys, accurate models are required to interpret the data and extract relevant information. We introduce a method based on high-resolution N-body simulations to accurately and efficiently model the galaxy two-point correlation functions (2PCFs) in projected and redshift spaces. The basic idea is to tabulate all information of haloes in the simulations necessary for computing the galaxy 2PCFs within the framework of halo occupation distribution or conditional luminosity function. It is equivalent to populating galaxies to dark matter haloes and using the mock 2PCF measurements as the model predictions. Besides the accurate 2PCF calculations, the method is also fast and therefore enables an efficient exploration of the parameter space. As an example of the method, we decompose the redshift-space galaxy 2PCF into different components based on the type of galaxy pairs and show the redshift-space distortion effect in each component. The generalizations and limitations of the method are discussed.

  14. Recommendations for Achieving Accurate Numerical Simulation of Tip Clearance Flows in Transonic Compressor Rotors

    NASA Technical Reports Server (NTRS)

    VanZante, Dale E.; Strazisar, Anthony J.; Wood, Jerry R,; Hathaway, Michael D.; Okiishi, Theodore H.

    2000-01-01

    The tip clearance flows of transonic compressor rotors are important because they have a significant impact on rotor and stage performance. While numerical simulations of these flows are quite sophisticated. they are seldom verified through rigorous comparisons of numerical and measured data because these kinds of measurements are rare in the detail necessary to be useful in high-speed machines. In this paper we compare measured tip clearance flow details (e.g. trajectory and radial extent) with corresponding data obtained from a numerical simulation. Recommendations for achieving accurate numerical simulation of tip clearance flows are presented based on this comparison. Laser Doppler Velocimeter (LDV) measurements acquired in a transonic compressor rotor, NASA Rotor 35, are used. The tip clearance flow field of this transonic rotor was simulated using a Navier-Stokes turbomachinery solver that incorporates an advanced k-epsilon turbulence model derived for flows that are not in local equilibrium. Comparison between measured and simulated results indicates that simulation accuracy is primarily dependent upon the ability of the numerical code to resolve important details of a wall-bounded shear layer formed by the relative motion between the over-tip leakage flow and the shroud wall. A simple method is presented for determining the strength of this shear layer.

  15. Advanced numerical techniques for accurate unsteady simulations of a wingtip vortex

    NASA Astrophysics Data System (ADS)

    Ahmad, Shakeel

    A numerical technique is developed to simulate the vortices associated with stationary and flapping wings. The Unsteady Reynolds-Averaged Navier-Stokes (URANS) equations are used over an unstructured grid. The present work assesses the locations of the origins of vortex generation, models those locations and develops a systematic mesh refinement strategy to simulate vortices more accurately using the URANS model. The vortex center plays a key role in the analysis of the simulation data. A novel approach to locating a vortex center is also developed referred to as the Max-Max criterion. Experimental validation of the simulated vortex from a stationary NACA0012 wing is achieved. The tangential velocity along the core of the vortex falls within five percent of the experimental data in the case of the stationary NACA0012 simulation. The wing surface pressure coefficient also matches with the experimental data. The refinement techniques are then focused on unsteady simulations of pitching and dual-mode wing flapping. Tip vortex strength, location, and wing surface pressure are analyzed. Links to vortex behavior and wing motion are inferred. Key words: vortex, tangential velocity, Cp, vortical flow, unsteady vortices, URANS, Max-Max, Vortex center

  16. A hierarchical approach to accurate predictions of macroscopic thermodynamic behavior from quantum mechanics and molecular simulations

    NASA Astrophysics Data System (ADS)

    Garrison, Stephen L.

    2005-07-01

    The combination of molecular simulations and potentials obtained from quantum chemistry is shown to be able to provide reasonably accurate thermodynamic property predictions. Gibbs ensemble Monte Carlo simulations are used to understand the effects of small perturbations to various regions of the model Lennard-Jones 12-6 potential. However, when the phase behavior and second virial coefficient are scaled by the critical properties calculated for each potential, the results obey a corresponding states relation suggesting a non-uniqueness problem for interaction potentials fit to experimental phase behavior. Several variations of a procedure collectively referred to as quantum mechanical Hybrid Methods for Interaction Energies (HM-IE) are developed and used to accurately estimate interaction energies from CCSD(T) calculations with a large basis set in a computationally efficient manner for the neon-neon, acetylene-acetylene, and nitrogen-benzene systems. Using these results and methods, an ab initio, pairwise-additive, site-site potential for acetylene is determined and then improved using results from molecular simulations using this initial potential. The initial simulation results also indicate that a limited range of energies important for accurate phase behavior predictions. Second virial coefficients calculated from the improved potential indicate that one set of experimental data in the literature is likely erroneous. This prescription is then applied to methanethiol. Difficulties in modeling the effects of the lone pair electrons suggest that charges on the lone pair sites negatively impact the ability of the intermolecular potential to describe certain orientations, but that the lone pair sites may be necessary to reasonably duplicate the interaction energies for several orientations. Two possible methods for incorporating the effects of three-body interactions into simulations within the pairwise-additivity formulation are also developed. A low density

  17. Fast and accurate MAS-DNP simulations of large spin ensembles.

    PubMed

    Mentink-Vigier, Frédéric; Vega, Shimon; De Paëpe, Gaël

    2017-02-01

    A deeper understanding of parameters affecting Magic Angle Spinning Dynamic Nuclear Polarization (MAS-DNP), an emerging nuclear magnetic resonance hyperpolarization method, is crucial for the development of new polarizing agents and the successful implementation of the technique at higher magnetic fields (>10 T). Such progress is currently impeded by computational limitation which prevents the simulation of large spin ensembles (electron as well as nuclear spins) and to accurately describe the interplay between all the multiple key parameters at play. In this work, we present an alternative approach to existing cross-effect and solid-effect MAS-DNP codes that yields fast and accurate simulations. More specifically we describe the model, the associated Liouville-based formalism (Bloch-type derivation and/or Landau-Zener approximations) and the linear time algorithm that allows computing MAS-DNP mechanisms with unprecedented time savings. As a result, one can easily scan through multiple parameters and disentangle their mutual influences. In addition, the simulation code is able to handle multiple electrons and protons, which allows probing the effect of (hyper)polarizing agents concentration, as well as fully revealing the interplay between the polarizing agent structure and the hyperfine couplings, nuclear dipolar couplings, nuclear relaxation times, both in terms of depolarization effect, but also of polarization gain and buildup times.

  18. Oil Droplet Size Distribution and Optical Properties During Wave Tank Simulated Oil Spills

    NASA Astrophysics Data System (ADS)

    Conmy, R. N.; Venosa, A.; Courtenay, S.; King, T.; Robinson, B.; Ryan, S.

    2013-12-01

    Fate and transport of spilled petroleum oils in aquatic environments is highly dependent upon oil droplet behavior which is a function of chemical composition, dispersibility (natural and chemically-enhanced) and droplet size distribution (DSD) of the oil. DSD is influenced by mixing energy, temperature, salinity, pressure, presence of dissolved and particulate materials, flow rate of release, and application of dispersants. To better understand DSD and droplet behavior under varying physical conditions, flask-scale experiments are often insufficient. Rather, wave tank simulations allow for scaling to field conditions. Presented here are experiment results from the Bedford Institute of Oceanography wave tank facility, where chemically-dispersed (Corexit 9500; DOR = 1:20) Louisiana Sweet crude, IFO-120 and ANS crude oil were exposed to mixing energies to achieve dispersant effectiveness observed in the field. Oil plumes were simulated, both surface and subsea releases with varying water temperature and flow rate. Fluorometers (Chelsea Technologies Group AQUATracka, Turner Designs Cyclops, WET Labs Inc ECO) and particle size analyzers (Sequoia LISST) were used to track the dispersed plumes in the tank and characterize oil droplets. Sensors were validated with known oil volumes (down to 300 ppb) and measured Total Petroleum Hydrocarbons (TPH) and Benzene-Toluene-Ethylbenzene-Xylene (BTEX) values. This work has large implications for tracking surface and deep sea oil plumes with fluorescence and particle size analyzers, improved weathering and biodegradation estimates, and understanding the fate and transport of spill oil.

  19. Industrial Compositional Streamline Simulation for Efficient and Accurate Prediction of Gas Injection and WAG Processes

    SciTech Connect

    Margot Gerritsen

    2008-10-31

    Gas-injection processes are widely and increasingly used for enhanced oil recovery (EOR). In the United States, for example, EOR production by gas injection accounts for approximately 45% of total EOR production and has tripled since 1986. The understanding of the multiphase, multicomponent flow taking place in any displacement process is essential for successful design of gas-injection projects. Due to complex reservoir geometry, reservoir fluid properties and phase behavior, the design of accurate and efficient numerical simulations for the multiphase, multicomponent flow governing these processes is nontrivial. In this work, we developed, implemented and tested a streamline based solver for gas injection processes that is computationally very attractive: as compared to traditional Eulerian solvers in use by industry it computes solutions with a computational speed orders of magnitude higher and a comparable accuracy provided that cross-flow effects do not dominate. We contributed to the development of compositional streamline solvers in three significant ways: improvement of the overall framework allowing improved streamline coverage and partial streamline tracing, amongst others; parallelization of the streamline code, which significantly improves wall clock time; and development of new compositional solvers that can be implemented along streamlines as well as in existing Eulerian codes used by industry. We designed several novel ideas in the streamline framework. First, we developed an adaptive streamline coverage algorithm. Adding streamlines locally can reduce computational costs by concentrating computational efforts where needed, and reduce mapping errors. Adapting streamline coverage effectively controls mass balance errors that mostly result from the mapping from streamlines to pressure grid. We also introduced the concept of partial streamlines: streamlines that do not necessarily start and/or end at wells. This allows more efficient coverage and avoids

  20. Development of modified cable models to simulate accurate neuronal active behaviors

    PubMed Central

    2014-01-01

    In large network and single three-dimensional (3-D) neuron simulations, high computing speed dictates using reduced cable models to simulate neuronal firing behaviors. However, these models are unwarranted under active conditions and lack accurate representation of dendritic active conductances that greatly shape neuronal firing. Here, realistic 3-D (R3D) models (which contain full anatomical details of dendrites) of spinal motoneurons were systematically compared with their reduced single unbranched cable (SUC, which reduces the dendrites to a single electrically equivalent cable) counterpart under passive and active conditions. The SUC models matched the R3D model's passive properties but failed to match key active properties, especially active behaviors originating from dendrites. For instance, persistent inward currents (PIC) hysteresis, frequency-current (FI) relationship secondary range slope, firing hysteresis, plateau potential partial deactivation, staircase currents, synaptic current transfer ratio, and regional FI relationships were not accurately reproduced by the SUC models. The dendritic morphology oversimplification and lack of dendritic active conductances spatial segregation in the SUC models caused significant underestimation of those behaviors. Next, SUC models were modified by adding key branching features in an attempt to restore their active behaviors. The addition of primary dendritic branching only partially restored some active behaviors, whereas the addition of secondary dendritic branching restored most behaviors. Importantly, the proposed modified models successfully replicated the active properties without sacrificing model simplicity, making them attractive candidates for running R3D single neuron and network simulations with accurate firing behaviors. The present results indicate that using reduced models to examine PIC behaviors in spinal motoneurons is unwarranted. PMID:25277743

  1. Fast and accurate simulations of diffusion-weighted MRI signals for the evaluation of acquisition sequences

    NASA Astrophysics Data System (ADS)

    Rensonnet, Gaëtan; Jacobs, Damien; Macq, Benoît.; Taquet, Maxime

    2016-03-01

    Diffusion-weighted magnetic resonance imaging (DW-MRI) is a powerful tool to probe the diffusion of water through tissues. Through the application of magnetic gradients of appropriate direction, intensity and duration constituting the acquisition parameters, information can be retrieved about the underlying microstructural organization of the brain. In this context, an important and open question is to determine an optimal sequence of such acquisition parameters for a specific purpose. The use of simulated DW-MRI data for a given microstructural configuration provides a convenient and efficient way to address this problem. We first present a novel hybrid method for the synthetic simulation of DW-MRI signals that combines analytic expressions in simple geometries such as spheres and cylinders and Monte Carlo (MC) simulations elsewhere. Our hybrid method remains valid for any acquisition parameters and provides identical levels of accuracy with a computational time that is 90% shorter than that required by MC simulations for commonly-encountered microstructural configurations. We apply our novel simulation technique to estimate the radius of axons under various noise levels with different acquisition protocols commonly used in the literature. The results of our comparison suggest that protocols favoring a large number of gradient intensities such as a Cube and Sphere (CUSP) imaging provide more accurate radius estimation than conventional single-shell HARDI acquisitions for an identical acquisition time.

  2. Fast and Accurate Technique for Determination of Moisture Content in Oil Palm Fruits using Open-Ended Coaxial Sensor

    NASA Astrophysics Data System (ADS)

    Abbas, Zulkifly; Yeow, You Kok; Shaari, Abdul Halim; Zakaria, Azmi; Hassan, Jumiah; Khalid, Kaida; Saion, Elias

    2005-07-01

    A simple, fast and accurate technique employing an open-ended coaxial sensor for the determination of the moisture content in oil palm fruit is presented. For this technique, a calibration equation has been developed based on the relationship between the measured moisture content obtained by the oven drying method and the phase of the reflection coefficient of the sensor for 21 fruits. The moisture content predicted by the sensor was in good agreement with that obtained using the standard oven drying method within ± 5% accuracy when tested on 145 different fruits samples.

  3. Body charge modelling for accurate simulation of small-signal behaviour in floating body SOI

    NASA Astrophysics Data System (ADS)

    Benson, James; Redman-White, William; D'Halleweyn, Nele V.; Easson, Craig A.; Uren, Michael J.

    2002-04-01

    We show that careful modelling of body node elements in floating body PD-SOI MOSFET compact models is required in order to obtain accurate small-signal simulation results in the saturation region. The body network modifies the saturation output conductance of the device via the body-source transconductance, resulting in a pole/zero pair being introduced in the conductance-frequency response. We show that neglecting the presence of body charge in the saturation region can often yield inaccurate values for the body capacitances, which in turn can adversely affect the modelling of the output conductance above the pole/zero frequency. We conclude that the underlying cause of this problem is the use of separate models for the intrinsic and extrinsic capacitances. Finally, we present a simple saturation body charge model which can greatly improve small-signal simulation accuracy for floating body devices.

  4. Metal cutting simulation of 4340 steel using an accurate mechanical description of meterial strength and fracture

    SciTech Connect

    Maudlin, P.J.; Stout, M.G.

    1996-09-01

    Strength and fracture constitutive relationships containing strain rate dependence and thermal softening are important for accurate simulation of metal cutting. The mechanical behavior of a hardened 4340 steel was characterized using the von Mises yield function, the Mechanical Threshold Stress model and the Johnson- Cook fracture model. This constitutive description was implemented into the explicit Lagrangian FEM continuum-mechanics code EPIC, and orthogonal plane-strain metal cutting calculations were performed. Heat conduction and friction at the toolwork-piece interface were included in the simulations. These transient calculations were advanced in time until steady state machining behavior (force) was realized. Experimental cutting force data (cutting and thrust forces) were measured for a planning operation and compared to the calculations. 13 refs., 6 figs.

  5. Canonical Decomposition of Ictal Scalp EEG and Accurate Source Localisation: Principles and Simulation Study

    PubMed Central

    De Vos, Maarten; De Lathauwer, Lieven; Vanrumste, Bart; Van Huffel, Sabine; Van Paesschen, W.

    2007-01-01

    Long-term electroencephalographic (EEG) recordings are important in the presurgical evaluation of refractory partial epilepsy for the delineation of the ictal onset zones. In this paper, we introduce a new concept for an automatic, fast, and objective localisation of the ictal onset zone in ictal EEG recordings. Canonical decomposition of ictal EEG decomposes the EEG in atoms. One or more atoms are related to the seizure activity. A single dipole was then fitted to model the potential distribution of each epileptic atom. In this study, we performed a simulation study in order to estimate the dipole localisation error. Ictal dipole localisation was very accurate, even at low signal-to-noise ratios, was not affected by seizure activity frequency or frequency changes, and was minimally affected by the waveform and depth of the ictal onset zone location. Ictal dipole localisation error using 21 electrodes was around 10.0 mm and improved more than tenfold in the range of 0.5–1.0 mm using 148 channels. In conclusion, our simulation study of canonical decomposition of ictal scalp EEG allowed a robust and accurate localisation of the ictal onset zone. PMID:18301715

  6. Time-Accurate Unsteady Pressure Loads Simulated for the Space Launch System at Wind Tunnel Conditions

    NASA Technical Reports Server (NTRS)

    Alter, Stephen J.; Brauckmann, Gregory J.; Kleb, William L.; Glass, Christopher E.; Streett, Craig L.; Schuster, David M.

    2015-01-01

    A transonic flow field about a Space Launch System (SLS) configuration was simulated with the Fully Unstructured Three-Dimensional (FUN3D) computational fluid dynamics (CFD) code at wind tunnel conditions. Unsteady, time-accurate computations were performed using second-order Delayed Detached Eddy Simulation (DDES) for up to 1.5 physical seconds. The surface pressure time history was collected at 619 locations, 169 of which matched locations on a 2.5 percent wind tunnel model that was tested in the 11 ft. x 11 ft. test section of the NASA Ames Research Center's Unitary Plan Wind Tunnel. Comparisons between computation and experiment showed that the peak surface pressure RMS level occurs behind the forward attach hardware, and good agreement for frequency and power was obtained in this region. Computational domain, grid resolution, and time step sensitivity studies were performed. These included an investigation of pseudo-time sub-iteration convergence. Using these sensitivity studies and experimental data comparisons, a set of best practices to date have been established for FUN3D simulations for SLS launch vehicle analysis. To the author's knowledge, this is the first time DDES has been used in a systematic approach and establish simulation time needed, to analyze unsteady pressure loads on a space launch vehicle such as the NASA SLS.

  7. A spectral element method with adaptive segmentation for accurately simulating extracellular electrical stimulation of neurons.

    PubMed

    Eiber, Calvin D; Dokos, Socrates; Lovell, Nigel H; Suaning, Gregg J

    2016-08-19

    The capacity to quickly and accurately simulate extracellular stimulation of neurons is essential to the design of next-generation neural prostheses. Existing platforms for simulating neurons are largely based on finite-difference techniques; due to the complex geometries involved, the more powerful spectral or differential quadrature techniques cannot be applied directly. This paper presents a mathematical basis for the application of a spectral element method to the problem of simulating the extracellular stimulation of retinal neurons, which is readily extensible to neural fibers of any kind. The activating function formalism is extended to arbitrary neuron geometries, and a segmentation method to guarantee an appropriate choice of collocation points is presented. Differential quadrature may then be applied to efficiently solve the resulting cable equations. The capacity for this model to simulate action potentials propagating through branching structures and to predict minimum extracellular stimulation thresholds for individual neurons is demonstrated. The presented model is validated against published values for extracellular stimulation threshold and conduction velocity for realistic physiological parameter values. This model suggests that convoluted axon geometries are more readily activated by extracellular stimulation than linear axon geometries, which may have ramifications for the design of neural prostheses.

  8. CHARACTERISTICS OF SPILLED OILS, FUELS, AND PETROLEUM PRODUCTS: 3A. SIMULATION OF OIL SPILLS AND DISPERSANTS UNDER CONDITIONS OF UNCERTAINTY

    EPA Science Inventory

    At the request of the US EPA Oil Program Center, ERD is developing an oil spill model that focuses on fate and transport of oil components under various response scenarios. This model includes various simulation options, including the use of chemical dispersing agents on oil sli...

  9. Simulation of Gravity Feed Oil for Areoplane Fuel Transfer System

    NASA Astrophysics Data System (ADS)

    Lv, Y. G.; Liu, Z. X.; Huang, S. Q.; Xu, T.

    Generally, it has two different ways for fuel transfer for areoplane, the simplest one is by gravity, and another is by pumps. But the simplest one mighte change to the vital method in some situation, such as electrical and mechanical accident. So the study of gravity feed oil is aslo important. Past calculations assumed that, under gravity feed, only one fuel tank in aircraft supplies the fuel needed for preventing extremely serious accident to happen. Actually, gravity feed oil is a transient process, all fuel tanks compete for supplying oil and there must have several fuel tanks offering oil simultaneously. The key problems to calculate gravity feed oil are the sumulation of the multiple-branch and transient process. Firstly, we presented mathematical models for oil flow through pipes, non-working pupms and check valves, ect. Secondly, On the basis of flow network theory and time difference method, we established a new calculation method for gravity feed oil of aeroplane fuel system. This model can solve the multiple-branch and transient process simulation of gravity feed oil. Our method takes into consideration all fuel tanks and therefore, we believe, our method is intrinsically superior to traditional methods and is closer to understanding the real seriousness of the oil supply situation. Finally, we give a numerical example using the new method for a certain type of aircraft under gravity feed. achieved the variations of oil level and flow mass per second of each oil tanks which showed in Figures below. These variations show preliminarily that our proposed method of calculations is satisfactory.

  10. Initial conditions for accurate N-body simulations of massive neutrino cosmologies

    NASA Astrophysics Data System (ADS)

    Zennaro, M.; Bel, J.; Villaescusa-Navarro, F.; Carbone, C.; Sefusatti, E.; Guzzo, L.

    2017-04-01

    The set-up of the initial conditions in cosmological N-body simulations is usually implemented by rescaling the desired low-redshift linear power spectrum to the required starting redshift consistently with the Newtonian evolution of the simulation. The implementation of this practical solution requires more care in the context of massive neutrino cosmologies, mainly because of the non-trivial scale-dependence of the linear growth that characterizes these models. In this work, we consider a simple two-fluid, Newtonian approximation for cold dark matter and massive neutrinos perturbations that can reproduce the cold matter linear evolution predicted by Boltzmann codes such as CAMB or CLASS with a 0.1 per cent accuracy or below for all redshift relevant to non-linear structure formation. We use this description, in the first place, to quantify the systematic errors induced by several approximations often assumed in numerical simulations, including the typical set-up of the initial conditions for massive neutrino cosmologies adopted in previous works. We then take advantage of the flexibility of this approach to rescale the late-time linear power spectra to the simulation initial redshift, in order to be as consistent as possible with the dynamics of the N-body code and the approximations it assumes. We implement our method in a public code (REPS rescaled power spectra for initial conditions with massive neutrinos https://github.com/matteozennaro/reps) providing the initial displacements and velocities for cold dark matter and neutrino particles that will allow accurate, i.e. 1 per cent level, numerical simulations for this cosmological scenario.

  11. Unfitted Two-Phase Flow Simulations in Pore-Geometries with Accurate

    NASA Astrophysics Data System (ADS)

    Heimann, Felix; Engwer, Christian; Ippisch, Olaf; Bastian, Peter

    2013-04-01

    The development of better macro scale models for multi-phase flow in porous media is still impeded by the lack of suitable methods for the simulation of such flow regimes on the pore scale. The highly complicated geometry of natural porous media imposes requirements with regard to stability and computational efficiency which current numerical methods fail to meet. Therefore, current simulation environments are still unable to provide a thorough understanding of porous media in multi-phase regimes and still fail to reproduce well known effects like hysteresis or the more peculiar dynamics of the capillary fringe with satisfying accuracy. Although flow simulations in pore geometries were initially the domain of Lattice-Boltzmann and other particle methods, the development of Galerkin methods for such applications is important as they complement the range of feasible flow and parameter regimes. In the recent past, it has been shown that unfitted Galerkin methods can be applied efficiently to topologically demanding geometries. However, in the context of two-phase flows, the interface of the two immiscible fluids effectively separates the domain in two sub-domains. The exact representation of such setups with multiple independent and time depending geometries exceeds the functionality of common unfitted methods. We present a new approach to pore scale simulations with an unfitted discontinuous Galerkin (UDG) method. Utilizing a recursive sub-triangulation algorithm, we extent the UDG method to setups with multiple independent geometries. This approach allows an accurate representation of the moving contact line and the interface conditions, i.e. the pressure jump across the interface. Example simulations in two and three dimensions illustrate and verify the stability and accuracy of this approach.

  12. A hybrid Boundary Element Unstructured Transmission-line (BEUT) method for accurate 2D electromagnetic simulation

    NASA Astrophysics Data System (ADS)

    Simmons, Daniel; Cools, Kristof; Sewell, Phillip

    2016-11-01

    Time domain electromagnetic simulation tools have the ability to model transient, wide-band applications, and non-linear problems. The Boundary Element Method (BEM) and the Transmission Line Modeling (TLM) method are both well established numerical techniques for simulating time-varying electromagnetic fields. The former surface based method can accurately describe outwardly radiating fields from piecewise uniform objects and efficiently deals with large domains filled with homogeneous media. The latter volume based method can describe inhomogeneous and non-linear media and has been proven to be unconditionally stable. Furthermore, the Unstructured TLM (UTLM) enables modelling of geometrically complex objects by using triangular meshes which removes staircasing and unnecessary extensions of the simulation domain. The hybridization of BEM and UTLM which is described in this paper is named the Boundary Element Unstructured Transmission-line (BEUT) method. It incorporates the advantages of both methods. The theory and derivation of the 2D BEUT method is described in this paper, along with any relevant implementation details. The method is corroborated by studying its correctness and efficiency compared to the traditional UTLM method when applied to complex problems such as the transmission through a system of Luneburg lenses and the modelling of antenna radomes for use in wireless communications.

  13. Accurate and fast simulation of channel noise in conductance-based model neurons by diffusion approximation.

    PubMed

    Linaro, Daniele; Storace, Marco; Giugliano, Michele

    2011-03-01

    Stochastic channel gating is the major source of intrinsic neuronal noise whose functional consequences at the microcircuit- and network-levels have been only partly explored. A systematic study of this channel noise in large ensembles of biophysically detailed model neurons calls for the availability of fast numerical methods. In fact, exact techniques employ the microscopic simulation of the random opening and closing of individual ion channels, usually based on Markov models, whose computational loads are prohibitive for next generation massive computer models of the brain. In this work, we operatively define a procedure for translating any Markov model describing voltage- or ligand-gated membrane ion-conductances into an effective stochastic version, whose computer simulation is efficient, without compromising accuracy. Our approximation is based on an improved Langevin-like approach, which employs stochastic differential equations and no Montecarlo methods. As opposed to an earlier proposal recently debated in the literature, our approximation reproduces accurately the statistical properties of the exact microscopic simulations, under a variety of conditions, from spontaneous to evoked response features. In addition, our method is not restricted to the Hodgkin-Huxley sodium and potassium currents and is general for a variety of voltage- and ligand-gated ion currents. As a by-product, the analysis of the properties emerging in exact Markov schemes by standard probability calculus enables us for the first time to analytically identify the sources of inaccuracy of the previous proposal, while providing solid ground for its modification and improvement we present here.

  14. Time Accurate CFD Simulations of the Orion Launch Abort Vehicle in the Transonic Regime

    NASA Technical Reports Server (NTRS)

    Rojahn, Josh; Ruf, Joe

    2011-01-01

    Significant asymmetries in the fluid dynamics were calculated for some cases in the CFD simulations of the Orion Launch Abort Vehicle through its abort trajectories. The CFD simulations were performed steady state and in three dimensions with symmetric geometries, no freestream sideslip angle, and motors firing. The trajectory points at issue were in the transonic regime, at 0 and +/- 5 angles of attack with the Abort Motors with and without the Attitude Control Motors (ACM) firing. In some of the cases the asymmetric fluid dynamics resulted in aerodynamic side forces that were large enough that would overcome the control authority of the ACMs. MSFC's Fluid Dynamics Group supported the investigation into the cause of the flow asymmetries with time accurate CFD simulations, utilizing a hybrid RANS-LES turbulence model. The results show that the flow over the vehicle and the subsequent interaction with the AB and ACM motor plumes were unsteady. The resulting instantaneous aerodynamic forces were oscillatory with fairly large magnitudes. Time averaged aerodynamic forces were essentially symmetric.

  15. Accurate load prediction by BEM with airfoil data from 3D RANS simulations

    NASA Astrophysics Data System (ADS)

    Schneider, Marc S.; Nitzsche, Jens; Hennings, Holger

    2016-09-01

    In this paper, two methods for the extraction of airfoil coefficients from 3D CFD simulations of a wind turbine rotor are investigated, and these coefficients are used to improve the load prediction of a BEM code. The coefficients are extracted from a number of steady RANS simulations, using either averaging of velocities in annular sections, or an inverse BEM approach for determination of the induction factors in the rotor plane. It is shown that these 3D rotor polars are able to capture the rotational augmentation at the inner part of the blade as well as the load reduction by 3D effects close to the blade tip. They are used as input to a simple BEM code and the results of this BEM with 3D rotor polars are compared to the predictions of BEM with 2D airfoil coefficients plus common empirical corrections for stall delay and tip loss. While BEM with 2D airfoil coefficients produces a very different radial distribution of loads than the RANS simulation, the BEM with 3D rotor polars manages to reproduce the loads from RANS very accurately for a variety of load cases, as long as the blade pitch angle is not too different from the cases from which the polars were extracted.

  16. Hydration free energies of cyanide and hydroxide ions from molecular dynamics simulations with accurate force fields

    USGS Publications Warehouse

    Lee, M.W.; Meuwly, M.

    2013-01-01

    The evaluation of hydration free energies is a sensitive test to assess force fields used in atomistic simulations. We showed recently that the vibrational relaxation times, 1D- and 2D-infrared spectroscopies for CN(-) in water can be quantitatively described from molecular dynamics (MD) simulations with multipolar force fields and slightly enlarged van der Waals radii for the C- and N-atoms. To validate such an approach, the present work investigates the solvation free energy of cyanide in water using MD simulations with accurate multipolar electrostatics. It is found that larger van der Waals radii are indeed necessary to obtain results close to the experimental values when a multipolar force field is used. For CN(-), the van der Waals ranges refined in our previous work yield hydration free energy between -72.0 and -77.2 kcal mol(-1), which is in excellent agreement with the experimental data. In addition to the cyanide ion, we also study the hydroxide ion to show that the method used here is readily applicable to similar systems. Hydration free energies are found to sensitively depend on the intermolecular interactions, while bonded interactions are less important, as expected. We also investigate in the present work the possibility of applying the multipolar force field in scoring trajectories generated using computationally inexpensive methods, which should be useful in broader parametrization studies with reduced computational resources, as scoring is much faster than the generation of the trajectories.

  17. Numerical Methodology for Coupled Time-Accurate Simulations of Primary and Secondary Flowpaths in Gas Turbines

    NASA Technical Reports Server (NTRS)

    Przekwas, A. J.; Athavale, M. M.; Hendricks, R. C.; Steinetz, B. M.

    2006-01-01

    Detailed information of the flow-fields in the secondary flowpaths and their interaction with the primary flows in gas turbine engines is necessary for successful designs with optimized secondary flow streams. Present work is focused on the development of a simulation methodology for coupled time-accurate solutions of the two flowpaths. The secondary flowstream is treated using SCISEAL, an unstructured adaptive Cartesian grid code developed for secondary flows and seals, while the mainpath flow is solved using TURBO, a density based code with capability of resolving rotor-stator interaction in multi-stage machines. An interface is being tested that links the two codes at the rim seal to allow data exchange between the two codes for parallel, coupled execution. A description of the coupling methodology and the current status of the interface development is presented. Representative steady-state solutions of the secondary flow in the UTRC HP Rig disc cavity are also presented.

  18. Cartesian Off-Body Grid Adaption for Viscous Time- Accurate Flow Simulation

    NASA Technical Reports Server (NTRS)

    Buning, Pieter G.; Pulliam, Thomas H.

    2011-01-01

    An improved solution adaption capability has been implemented in the OVERFLOW overset grid CFD code. Building on the Cartesian off-body approach inherent in OVERFLOW and the original adaptive refinement method developed by Meakin, the new scheme provides for automated creation of multiple levels of finer Cartesian grids. Refinement can be based on the undivided second-difference of the flow solution variables, or on a specific flow quantity such as vorticity. Coupled with load-balancing and an inmemory solution interpolation procedure, the adaption process provides very good performance for time-accurate simulations on parallel compute platforms. A method of using refined, thin body-fitted grids combined with adaption in the off-body grids is presented, which maximizes the part of the domain subject to adaption. Two- and three-dimensional examples are used to illustrate the effectiveness and performance of the adaption scheme.

  19. Time-Accurate Simulations and Acoustic Analysis of Slat Free-Shear Layer

    NASA Technical Reports Server (NTRS)

    Khorrami, Mehdi R.; Singer, Bart A.; Berkman, Mert E.

    2001-01-01

    A detailed computational aeroacoustic analysis of a high-lift flow field is performed. Time-accurate Reynolds Averaged Navier-Stokes (RANS) computations simulate the free shear layer that originates from the slat cusp. Both unforced and forced cases are studied. Preliminary results show that the shear layer is a good amplifier of disturbances in the low to mid-frequency range. The Ffowcs-Williams and Hawkings equation is solved to determine the acoustic field using the unsteady flow data from the RANS calculations. The noise radiated from the excited shear layer has a spectral shape qualitatively similar to that obtained from measurements in a corresponding experimental study of the high-lift system.

  20. Object-Oriented NeuroSys: Parallel Programs for Simulating Large Networks of Biologically Accurate Neurons

    SciTech Connect

    Pacheco, P; Miller, P; Kim, J; Leese, T; Zabiyaka, Y

    2003-05-07

    Object-oriented NeuroSys (ooNeuroSys) is a collection of programs for simulating very large networks of biologically accurate neurons on distributed memory parallel computers. It includes two principle programs: ooNeuroSys, a parallel program for solving the large systems of ordinary differential equations arising from the interconnected neurons, and Neurondiz, a parallel program for visualizing the results of ooNeuroSys. Both programs are designed to be run on clusters and use the MPI library to obtain parallelism. ooNeuroSys also includes an easy-to-use Python interface. This interface allows neuroscientists to quickly develop and test complex neuron models. Both ooNeuroSys and Neurondiz have a design that allows for both high performance and relative ease of maintenance.

  1. Importance of accurate spectral simulations for the analysis of terahertz spectra: citric acid anhydrate and monohydrate.

    PubMed

    King, Matthew D; Davis, Eric A; Smith, Tiffany M; Korter, Timothy M

    2011-10-13

    The terahertz (THz) spectra of crystalline solids are typically uniquely sensitive to the molecular packing configurations, allowing for the detection of polymorphs and hydrates by THz spectroscopic techniques. It is possible, however, that coincident absorptions may be observed between related crystal forms, in which case careful assessment of the lattice vibrations of each system must be performed. Presented here is a THz spectroscopic investigation of citric acid in its anhydrous and monohydrate phases. Remarkably similar features were observed in the THz spectra of both systems, requiring the accurate calculation of the low-frequency vibrational modes by solid-state density functional theory to determine the origins of these spectral features. The results of the simulations demonstrate the necessity of reliable and rigorous methods for THz vibrational modes to ensure the proper evaluation of the THz spectra of molecular solids.

  2. Time-Accurate Computational Fluid Dynamics Simulation of a Pair of Moving Solid Rocket Boosters

    NASA Technical Reports Server (NTRS)

    Strutzenberg, Louise L.; Williams, Brandon R.

    2011-01-01

    Since the Columbia accident, the threat to the Shuttle launch vehicle from debris during the liftoff timeframe has been assessed by the Liftoff Debris Team at NASA/MSFC. In addition to engineering methods of analysis, CFD-generated flow fields during the liftoff timeframe have been used in conjunction with 3-DOF debris transport methods to predict the motion of liftoff debris. Early models made use of a quasi-steady flow field approximation with the vehicle positioned at a fixed location relative to the ground; however, a moving overset mesh capability has recently been developed for the Loci/CHEM CFD software which enables higher-fidelity simulation of the Shuttle transient plume startup and liftoff environment. The present work details the simulation of the launch pad and mobile launch platform (MLP) with truncated solid rocket boosters (SRBs) moving in a prescribed liftoff trajectory derived from Shuttle flight measurements. Using Loci/CHEM, time-accurate RANS and hybrid RANS/LES simulations were performed for the timeframe T0+0 to T0+3.5 seconds, which consists of SRB startup to a vehicle altitude of approximately 90 feet above the MLP. Analysis of the transient flowfield focuses on the evolution of the SRB plumes in the MLP plume holes and the flame trench, impingement on the flame deflector, and especially impingment on the MLP deck resulting in upward flow which is a transport mechanism for debris. The results show excellent qualitative agreement with the visual record from past Shuttle flights, and comparisons to pressure measurements in the flame trench and on the MLP provide confidence in these simulation capabilities.

  3. Simulating Surface Oil Transport During the Deepwater Horizon Oil Spill: Experiments with the BioCast System

    DTIC Science & Technology

    2014-01-25

    Virtual Special Issue Gulf of Mexico Modelling – Lessons from the spill Simulating surface oil transport during the Deepwater Horizon oil spill ...ocean surface materials. The Deepwater Horizon oil spill in the Gulf of Mexico provided a test case for the Bio-Optical Forecasting (BioCast) system...addition of explicit sources and sinks of surface oil concentrations provides a framework for increasingly complex oil spill modeling efforts that extend

  4. Experiences with linear solvers for oil reservoir simulation problems

    SciTech Connect

    Joubert, W.; Janardhan, R.; Biswas, D.; Carey, G.

    1996-12-31

    This talk will focus on practical experiences with iterative linear solver algorithms used in conjunction with Amoco Production Company`s Falcon oil reservoir simulation code. The goal of this study is to determine the best linear solver algorithms for these types of problems. The results of numerical experiments will be presented.

  5. ILT based defect simulation of inspection images accurately predicts mask defect printability on wafer

    NASA Astrophysics Data System (ADS)

    Deep, Prakash; Paninjath, Sankaranarayanan; Pereira, Mark; Buck, Peter

    2016-05-01

    At advanced technology nodes mask complexity has been increased because of large-scale use of resolution enhancement technologies (RET) which includes Optical Proximity Correction (OPC), Inverse Lithography Technology (ILT) and Source Mask Optimization (SMO). The number of defects detected during inspection of such mask increased drastically and differentiation of critical and non-critical defects are more challenging, complex and time consuming. Because of significant defectivity of EUVL masks and non-availability of actinic inspection, it is important and also challenging to predict the criticality of defects for printability on wafer. This is one of the significant barriers for the adoption of EUVL for semiconductor manufacturing. Techniques to decide criticality of defects from images captured using non actinic inspection images is desired till actinic inspection is not available. High resolution inspection of photomask images detects many defects which are used for process and mask qualification. Repairing all defects is not practical and probably not required, however it's imperative to know which defects are severe enough to impact wafer before repair. Additionally, wafer printability check is always desired after repairing a defect. AIMSTM review is the industry standard for this, however doing AIMSTM review for all defects is expensive and very time consuming. Fast, accurate and an economical mechanism is desired which can predict defect printability on wafer accurately and quickly from images captured using high resolution inspection machine. Predicting defect printability from such images is challenging due to the fact that the high resolution images do not correlate with actual mask contours. The challenge is increased due to use of different optical condition during inspection other than actual scanner condition, and defects found in such images do not have correlation with actual impact on wafer. Our automated defect simulation tool predicts

  6. ACCURATE SIMULATIONS OF BINARY BLACK HOLE MERGERS IN FORCE-FREE ELECTRODYNAMICS

    SciTech Connect

    Alic, Daniela; Moesta, Philipp; Rezzolla, Luciano; Jaramillo, Jose Luis; Zanotti, Olindo

    2012-07-20

    We provide additional information on our recent study of the electromagnetic emission produced during the inspiral and merger of supermassive black holes when these are immersed in a force-free plasma threaded by a uniform magnetic field. As anticipated in a recent letter, our results show that although a dual-jet structure is present, the associated luminosity is {approx}100 times smaller than the total one, which is predominantly quadrupolar. Here we discuss the details of our implementation of the equations in which the force-free condition is not implemented at a discrete level, but rather obtained via a damping scheme which drives the solution to satisfy the correct condition. We show that this is important for a correct and accurate description of the current sheets that can develop in the course of the simulation. We also study in greater detail the three-dimensional charge distribution produced as a consequence of the inspiral and show that during the inspiral it possesses a complex but ordered structure which traces the motion of the two black holes. Finally, we provide quantitative estimates of the scaling of the electromagnetic emission with frequency, with the diffused part having a dependence that is the same as the gravitational-wave one and that scales as L{sup non-coll}{sub EM} Almost-Equal-To {Omega}{sup 10/3-8/3}, while the collimated one scales as L{sup coll}{sub EM} Almost-Equal-To {Omega}{sup 5/3-6/3}, thus with a steeper dependence than previously estimated. We discuss the impact of these results on the potential detectability of dual jets from supermassive black holes and the steps necessary for more accurate estimates.

  7. Can a Global Model Accurately Simulate Land-Atmosphere Interactions under Climate Change Conditions?

    NASA Astrophysics Data System (ADS)

    Zhou, C., VI; Wang, K.

    2015-12-01

    Surface air temperature (Ta) is largely determined by surface net radiation (Rn) and its partitioning into latent (LE) and sensible heat fluxes (H). Existing model evaluations of the absolute values of these fluxes are less helpful because the evaluation results are a blending of inconsistent spatial scales, inaccurate model forcing data and inaccurate parameterizations. This study further evaluates the relationship of LE and H with Rn and environmental parameters, including Ta, relative humidity (RH) and wind speed (WS), using ERA-interim reanalysis data at a grid of 0.125°×0.125° with measurements at AmeriFlux sites from 1998 to 2012. The results demonstrate that ERA-Interim can reproduce the absolute values of environmental parameters, radiation and turbulent fluxes rather accurately. The model performs well in simulating the correlation of LE and H to Rn, except for the notable correlation overestimation of H against Rn over high-density vegetation (e.g., deciduous broadleaf forest (DBF), grassland (GRA) and cropland (CRO)). The sensitivity of LE to Rn in the model is similar to the observations, but that of H to Rn is overestimated by 24.2%. In regions with high-density vegetation, the correlation coefficient between H and Ta is overestimated by more than 0.2, whereas that between H and WS is underestimated by more than 0.43. The sensitivity of H to Ta is overestimated by 0.72 Wm-2 °C-1, whereas that of H to WS in the model is underestimated by 16.15 Wm-2/(ms-1) over all of the sites. Considering both LE and H, the model cannot accurately capture the response of the evaporative fraction (EF=LE/(LE+H)) to Rn and the environmental parameters.

  8. Simulation of oil pollution in the Persian Gulf near Assaluyeh oil terminal.

    PubMed

    Faghihifard, M; Badri, M A

    2016-04-15

    Numerical simulation of oil slick movement with respect to tidal factors and wind effects was performed in order to counteract oil pollution in the Persian Gulf. First, a flow model was invoked with respect to water level fluctuations. The main tidal constituents were applied to the model using the initial conditions of water level variations in the Hormuz Strait near the Hangam Island. The movement of oil pollution was determined due to wind, tide and temperature effects and confirmed by applying a verified field results. Simulations were focused near an important terminal in the Persian Gulf, Assaluyeh Port. The results were led to preparing a risk-taking map in a parallel research for the Persian Gulf.

  9. Can a Rescuer or Simulated Patient Accurately Assess Motion During Cervical Spine Stabilization Practice Sessions?

    PubMed Central

    Shrier, Ian; Boissy, Patrick; Brière, Simon; Mellette, Jay; Fecteau, Luc; Matheson, Gordon O.; Garza, Daniel; Meeuwisse, Willem H.; Segal, Eli; Boulay, John; Steele, Russell J.

    2012-01-01

    Context: Health care providers must be prepared to manage all potential spine injuries as if they are unstable. Therefore, most sport teams devote resources to training for sideline cervical spine (C-spine) emergencies. Objective: To determine (1) how accurately rescuers and simulated patients can assess motion during C-spine stabilization practice and (2) whether providing performance feedback to rescuers influences their choice of stabilization technique. Design: Crossover study. Setting: Training studio. Patients or Other Participants: Athletic trainers, athletic therapists, and physiotherapists experienced at managing suspected C-spine injuries. Intervention(s): Twelve lead rescuers (at the patient's head) performed both the head-squeeze and trap-squeeze C-spine stabilization maneuvers during 4 test scenarios: lift-and-slide and log-roll placement on a spine board and confused patient trying to sit up or rotate the head. Main Outcome Measure(s): Interrater reliability between rescuer and simulated patient quality scores for subjective evaluation of C-spine stabilization during trials (0 = best, 10 = worst), correlation between rescuers' quality scores and objective measures of motion with inertial measurement units, and frequency of change in preference for the head-squeeze versus trap-squeeze maneuver. Results: Although the weighted κ value for interrater reliability was acceptable (0.71–0.74), scores varied by 2 points or more between rescuers and simulated patients for approximately 10% to 15% of trials. Rescuers' scores correlated with objective measures, but variability was large: 38% of trials scored as 0 or 1 by the rescuer involved more than 10° of motion in at least 1 direction. Feedback did not affect the preference for the lift-and-slide placement. For the log-roll placement, 6 of 8 participants who preferred the head squeeze at baseline preferred the trap squeeze after feedback. For the confused patient, 5 of 5 participants initially preferred

  10. ENDLESS: a multi-scale large-eddy simulation approach to study oil plumes in the ocean mixed layer

    NASA Astrophysics Data System (ADS)

    Chen, B.; Yang, D.; Meneveau, C. V.; Chamecki, M.

    2015-12-01

    Large-eddy simulation (LES) has proven to be a valuable tool in producing high-fidelity simulations of environmental and geophysical turbulent flows. For simulations of the ocean mixed layer (OML), a grid size of a few meters is required and the typical horizontal domain sizes of LES are restricted to hundreds meters or a few kilometers at most. Oil plumes being transported in the OML experience the action of Langmuir turbulence, Ekman transport and submesoscale quasi-geostrophic eddies. As a consequence, oil plumes display complex features on scales from a few meters to tens kilometers. Therefore, accurately reproducing all the relevant scales in computer simulations is a challenging task. In this study, the Extended Nonperiodic Domain LES for Scalar transport (ENDLESS) is proposed as an economic multi-scale approach to tackle this problem with current computing power. The basic idea is to simulate the Langmuir turbulence on a small horizontal domain while simulating the oil plume over an effectively large extended domain. In particular, scalar fields are adaptively added and removed to efficiently enclose the oil plume with minimum computational cost for tracking the evolution of nonhomogeneous plumes. This approach also permits the superposition of larger-scale quasi two-dimensional motions on the oil advection, allowing for coupling with regional circulation models. Validation cases and sample applications are also discussed.

  11. A Three Dimensional Parallel Time Accurate Turbopump Simulation Procedure Using Overset Grid Systems

    NASA Technical Reports Server (NTRS)

    Kiris, Cetin; Chan, William; Kwak, Dochan

    2001-01-01

    The objective of the current effort is to provide a computational framework for design and analysis of the entire fuel supply system of a liquid rocket engine, including high-fidelity unsteady turbopump flow analysis. This capability is needed to support the design of pump sub-systems for advanced space transportation vehicles that are likely to involve liquid propulsion systems. To date, computational tools for design/analysis of turbopump flows are based on relatively lower fidelity methods. An unsteady, three-dimensional viscous flow analysis tool involving stationary and rotational components for the entire turbopump assembly has not been available for real-world engineering applications. The present effort provides developers with information such as transient flow phenomena at start up, and non-uniform inflows, and will eventually impact on system vibration and structures. In the proposed paper, the progress toward the capability of complete simulation of the turbo-pump for a liquid rocket engine is reported. The Space Shuttle Main Engine (SSME) turbo-pump is used as a test case for evaluation of the hybrid MPI/Open-MP and MLP versions of the INS3D code. CAD to solution auto-scripting capability is being developed for turbopump applications. The relative motion of the grid systems for the rotor-stator interaction was obtained using overset grid techniques. Unsteady computations for the SSME turbo-pump, which contains 114 zones with 34.5 million grid points, are carried out on Origin 3000 systems at NASA Ames Research Center. Results from these time-accurate simulations with moving boundary capability will be presented along with the performance of parallel versions of the code.

  12. A Three-Dimensional Parallel Time-Accurate Turbopump Simulation Procedure Using Overset Grid System

    NASA Technical Reports Server (NTRS)

    Kiris, Cetin; Chan, William; Kwak, Dochan

    2002-01-01

    The objective of the current effort is to provide a computational framework for design and analysis of the entire fuel supply system of a liquid rocket engine, including high-fidelity unsteady turbopump flow analysis. This capability is needed to support the design of pump sub-systems for advanced space transportation vehicles that are likely to involve liquid propulsion systems. To date, computational tools for design/analysis of turbopump flows are based on relatively lower fidelity methods. An unsteady, three-dimensional viscous flow analysis tool involving stationary and rotational components for the entire turbopump assembly has not been available for real-world engineering applications. The present effort provides developers with information such as transient flow phenomena at start up, and nonuniform inflows, and will eventually impact on system vibration and structures. In the proposed paper, the progress toward the capability of complete simulation of the turbo-pump for a liquid rocket engine is reported. The Space Shuttle Main Engine (SSME) turbo-pump is used as a test case for evaluation of the hybrid MPI/Open-MP and MLP versions of the INS3D code. CAD to solution auto-scripting capability is being developed for turbopump applications. The relative motion of the grid systems for the rotor-stator interaction was obtained using overset grid techniques. Unsteady computations for the SSME turbo-pump, which contains 114 zones with 34.5 million grid points, are carried out on Origin 3000 systems at NASA Ames Research Center. Results from these time-accurate simulations with moving boundary capability are presented along with the performance of parallel versions of the code.

  13. How accurate is the Pearson r-from-Z approximation? A Monte Carlo simulation study.

    PubMed

    Hittner, James B; May, Kim

    2012-01-01

    The Pearson r-from-Z approximation estimates the sample correlation (as an effect size measure) from the ratio of two quantities: the standard normal deviate equivalent (Z-score) corresponding to a one-tailed p-value divided by the square root of the total (pooled) sample size. The formula has utility in meta-analytic work when reports of research contain minimal statistical information. Although simple to implement, the accuracy of the Pearson r-from-Z approximation has not been empirically evaluated. To address this omission, we performed a series of Monte Carlo simulations. Results indicated that in some cases the formula did accurately estimate the sample correlation. However, when sample size was very small (N = 10) and effect sizes were small to small-moderate (ds of 0.1 and 0.3), the Pearson r-from-Z approximation was very inaccurate. Detailed figures that provide guidance as to when the Pearson r-from-Z formula will likely yield valid inferences are presented.

  14. Molecular Simulation of Carbon Dioxide Capture by Montmorillonite Using an Accurate and Flexible Force Field

    SciTech Connect

    Romanov, V N; Cygan, R T; Myshakin, E M

    2012-06-21

    Naturally occurring clay minerals provide a distinctive material for carbon capture and carbon dioxide sequestration. Swelling clay minerals, such as the smectite variety, possess an aluminosilicate structure that is controlled by low-charge layers that readily expand to accommodate water molecules and, potentially, CO2. Recent experimental studies have demonstrated the efficacy of intercalating CO2 in the interlayer of layered clays, but little is known about the molecular mechanisms of the process and the extent of carbon capture as a function of clay charge and structure. A series of molecular dynamics simulations and vibrational analyses have been completed to assess the molecular interactions associated with incorporation of CO2 and H2O in the interlayer of montmorillonite clay and to help validate the models with experimental observation. An accurate and fully flexible set of interatomic potentials for CO2 is developed and combined with Clayff potentials to help evaluate the intercalation mechanism and examine the effect of molecular flexibility onthe diffusion rate of CO2 in water.

  15. A mechanistic approach for accurate simulation of village scale malaria transmission

    PubMed Central

    Bomblies, Arne; Duchemin, Jean-Bernard; Eltahir, Elfatih AB

    2009-01-01

    Background Malaria transmission models commonly incorporate spatial environmental and climate variability for making regional predictions of disease risk. However, a mismatch of these models' typical spatial resolutions and the characteristic scale of malaria vector population dynamics may confound disease risk predictions in areas of high spatial hydrological variability such as the Sahel region of Africa. Methods Field observations spanning two years from two Niger villages are compared. The two villages are separated by only 30 km but exhibit a ten-fold difference in anopheles mosquito density. These two villages would be covered by a single grid cell in many malaria models, yet their entomological activity differs greatly. Environmental conditions and associated entomological activity are simulated at high spatial- and temporal resolution using a mechanistic approach that couples a distributed hydrology scheme and an entomological model. Model results are compared to regular field observations of Anopheles gambiae sensu lato mosquito populations and local hydrology. The model resolves the formation and persistence of individual pools that facilitate mosquito breeding and predicts spatio-temporal mosquito population variability at high resolution using an agent-based modeling approach. Results Observations of soil moisture, pool size, and pool persistence are reproduced by the model. The resulting breeding of mosquitoes in the simulated pools yields time-integrated seasonal mosquito population dynamics that closely follow observations from captured mosquito abundance. Interannual difference in mosquito abundance is simulated, and the inter-village difference in mosquito population is reproduced for two years of observations. These modeling results emulate the known focal nature of malaria in Niger Sahel villages. Conclusion Hydrological variability must be represented at high spatial and temporal resolution to achieve accurate predictive ability of malaria risk

  16. Submersible optical sensors exposed to chemically dispersed crude oil: wave tank simulations for improved oil spill monitoring.

    PubMed

    Conmy, Robyn N; Coble, Paula G; Farr, James; Wood, A Michelle; Lee, Kenneth; Pegau, W Scott; Walsh, Ian D; Koch, Corey R; Abercrombie, Mary I; Miles, M Scott; Lewis, Marlon R; Ryan, Scott A; Robinson, Brian J; King, Thomas L; Kelble, Christopher R; Lacoste, Jordanna

    2014-01-01

    In situ fluorometers were deployed during the Deepwater Horizon (DWH) Gulf of Mexico oil spill to track the subsea oil plume. Uncertainties regarding instrument specifications and capabilities necessitated performance testing of sensors exposed to simulated, dispersed oil plumes. Dynamic ranges of the Chelsea Technologies Group AQUAtracka, Turner Designs Cyclops, Satlantic SUNA and WET Labs, Inc. ECO, exposed to fresh and artificially weathered crude oil, were determined. Sensors were standardized against known oil volumes and total petroleum hydrocarbons and benzene-toluene-ethylbenzene-xylene measurements-both collected during spills, providing oil estimates during wave tank dilution experiments. All sensors estimated oil concentrations down to 300 ppb oil, refuting previous reports. Sensor performance results assist interpretation of DWH oil spill data and formulating future protocols.

  17. A time-accurate adaptive grid method and the numerical simulation of a shock-vortex interaction

    NASA Technical Reports Server (NTRS)

    Bockelie, Michael J.; Eiseman, Peter R.

    1990-01-01

    A time accurate, general purpose, adaptive grid method is developed that is suitable for multidimensional steady and unsteady numerical simulations. The grid point movement is performed in a manner that generates smooth grids which resolve the severe solution gradients and the sharp transitions in the solution gradients. The temporal coupling of the adaptive grid and the PDE solver is performed with a grid prediction correction method that is simple to implement and ensures the time accuracy of the grid. Time accurate solutions of the 2-D Euler equations for an unsteady shock vortex interaction demonstrate the ability of the adaptive method to accurately adapt the grid to multiple solution features.

  18. Physical and Numerical Model Studies of Cross-flow Turbines Towards Accurate Parameterization in Array Simulations

    NASA Astrophysics Data System (ADS)

    Wosnik, M.; Bachant, P.

    2014-12-01

    Cross-flow turbines, often referred to as vertical-axis turbines, show potential for success in marine hydrokinetic (MHK) and wind energy applications, ranging from small- to utility-scale installations in tidal/ocean currents and offshore wind. As turbine designs mature, the research focus is shifting from individual devices to the optimization of turbine arrays. It would be expensive and time-consuming to conduct physical model studies of large arrays at large model scales (to achieve sufficiently high Reynolds numbers), and hence numerical techniques are generally better suited to explore the array design parameter space. However, since the computing power available today is not sufficient to conduct simulations of the flow in and around large arrays of turbines with fully resolved turbine geometries (e.g., grid resolution into the viscous sublayer on turbine blades), the turbines' interaction with the energy resource (water current or wind) needs to be parameterized, or modeled. Models used today--a common model is the actuator disk concept--are not able to predict the unique wake structure generated by cross-flow turbines. This wake structure has been shown to create "constructive" interference in some cases, improving turbine performance in array configurations, in contrast with axial-flow, or horizontal axis devices. Towards a more accurate parameterization of cross-flow turbines, an extensive experimental study was carried out using a high-resolution turbine test bed with wake measurement capability in a large cross-section tow tank. The experimental results were then "interpolated" using high-fidelity Navier--Stokes simulations, to gain insight into the turbine's near-wake. The study was designed to achieve sufficiently high Reynolds numbers for the results to be Reynolds number independent with respect to turbine performance and wake statistics, such that they can be reliably extrapolated to full scale and used for model validation. The end product of

  19. From oil shortage to oil glut: simulation of growth prospects in the Nigerian economy

    SciTech Connect

    Olofin, S.; Iyaniwura, J.O.

    1983-11-01

    During the 1970s, the economy of Nigeria provided one of the most interesting cases of development financed through oil revenue. Between 1970 and 1980, the country's GNP grew at an outstanding rate, but after the transition from oil shortage to oil glut, the economy of Nigeria ran into dramatic financial difficulties, which are now placing major constraints to its development. To investigate the transition from an oil-based economy to a stage characterized by greater diversification of exports and more balanced sectoral growth, a model has been built by the University of Ibadan in Nigeria. The model was developed in association with Project LINK staffing for the future inclusion in the Project. According to the finding presented in the study, the annual growth rate of GDP of Nigeria between 1980 and 1988 will be around 2.5%. To compensate the drop of the foreign-exchange earnings caused by the contraction of oil prices and demand, a vigorous export drive of agricultural products is simulated. 8 references, 7 figures, 4 tables.

  20. Simulating surface oil transport during the Deepwater Horizon oil spill: Experiments with the BioCast system

    NASA Astrophysics Data System (ADS)

    Jolliff, Jason Keith; Smith, Travis A.; Ladner, Sherwin; Arnone, Robert A.

    2014-03-01

    The U.S. Naval Research Laboratory (NRL) is developing nowcast/forecast software systems designed to combine satellite ocean color data streams with physical circulation models in order to produce prognostic fields of ocean surface materials. The Deepwater Horizon oil spill in the Gulf of Mexico provided a test case for the Bio-Optical Forecasting (BioCast) system to rapidly combine the latest satellite imagery of the oil slick distribution with surface circulation fields in order to produce oil slick transport scenarios and forecasts. In one such sequence of experiments, MODIS satellite true color images were combined with high-resolution ocean circulation forecasts from the Coupled Ocean-Atmosphere Mesoscale Prediction System (COAMPS®) to produce 96-h oil transport simulations. These oil forecasts predicted a major oil slick landfall at Grand Isle, Louisiana, USA that was subsequently observed. A key driver of the landfall scenario was the development of a coastal buoyancy current associated with Mississippi River Delta freshwater outflow. In another series of experiments, longer-term regional circulation model results were combined with oil slick source/sink scenarios to simulate the observed containment of surface oil within the Gulf of Mexico. Both sets of experiments underscore the importance of identifying and simulating potential hydrodynamic conduits of surface oil transport. The addition of explicit sources and sinks of surface oil concentrations provides a framework for increasingly complex oil spill modeling efforts that extend beyond horizontal trajectory analysis.

  1. On high-order accurate weighted essentially non-oscillatory and discontinuous Galerkin schemes for compressible turbulence simulations.

    PubMed

    Shu, Chi-Wang

    2013-01-13

    In this article, we give a brief overview on high-order accurate shock capturing schemes with the aim of applications in compressible turbulence simulations. The emphasis is on the basic methodology and recent algorithm developments for two classes of high-order methods: the weighted essentially non-oscillatory and discontinuous Galerkin methods.

  2. The prestige oil spill. I. Biodegradation of a heavy fuel oil under simulated conditions.

    PubMed

    Díez, Sergi; Sabatté, Jordi; Viñas, Marc; Bayona, Josep M; Solanas, Anna M; Albaigés, Joan

    2005-09-01

    In vitro biodegradation of the Prestige heavy fuel oil has been carried out using two microbial consortia obtained by enrichment in different substrates to simulate its environmental fate and potential utility for bioremediation. Different conditions, such as incubation time (i.e., 20 or 40 d), oil weathering, and addition of an oleophilic fertilizer (S200), were evaluated. Weathering slowed down the degradation of the fuel oil, probably because of the loss of lower and more labile components, but the addition of S200 enhanced significantly the extension of the biodegradation. n-Alkanes, alkylcyclohexanes, alkylbenzenes, and the two- to three-ring polycyclic aromatic hydrocarbons (PAHs) were degraded in 20 or 40 d of incubation of the original oil, whereas the biodegradation efficiency decreased for higher PAHs and with the increase of alkylation. Molecular markers were degraded according to the following sequence: Acyclic isoprenoids > diasteranes > C27-steranes > betabeta-steranes > homohopanes > monoaromatic steranes > triaromatic steranes. Isomeric selectivity was observed within the C1- and C2-phenanthrenes, dibenzothiophenes, pyrenes, and chrysenes, providing source and weathering indices for the characterization of the heavy oil spill. Acyclic isoprenoids, C27-steranes, C1- and C2-naphthalenes, phenanthrenes, and dibenzothiophenes were degraded completely when S200 was used. The ratios of the C2- and C3-alkyl homologues of fluoranthene/pyrene and chrysene/benzo[a]anthracene are proposed as source ratios in moderately degraded oils. The 4-methylpyrene and 3-methylchrysene were refractory enough to serve as conserved internal markers in assessing the degradation of the aromatic fraction in a manner similar to that of hopane, as used for the aliphatic fraction.

  3. A CUDA based parallel multi-phase oil reservoir simulator

    NASA Astrophysics Data System (ADS)

    Zaza, Ayham; Awotunde, Abeeb A.; Fairag, Faisal A.; Al-Mouhamed, Mayez A.

    2016-09-01

    Forward Reservoir Simulation (FRS) is a challenging process that models fluid flow and mass transfer in porous media to draw conclusions about the behavior of certain flow variables and well responses. Besides the operational cost associated with matrix assembly, FRS repeatedly solves huge and computationally expensive sparse, ill-conditioned and unsymmetrical linear system. Moreover, as the computation for practical reservoir dimensions lasts for long times, speeding up the process by taking advantage of parallel platforms is indispensable. By considering the state of art advances in massively parallel computing and the accompanying parallel architecture, this work aims primarily at developing a CUDA-based parallel simulator for oil reservoir. In addition to the initial reported 33 times speed gain compared to the serial version, running experiments showed that BiCGSTAB is a stable and fast solver which could be incorporated in such simulations instead of the more expensive, storage demanding and usually utilized GMRES.

  4. Numerical parameter constraints for accurate PIC-DSMC simulation of breakdown from arc initiation to stable arcs

    NASA Astrophysics Data System (ADS)

    Moore, Christopher; Hopkins, Matthew; Moore, Stan; Boerner, Jeremiah; Cartwright, Keith

    2015-09-01

    Simulation of breakdown is important for understanding and designing a variety of applications such as mitigating undesirable discharge events. Such simulations need to be accurate through early time arc initiation to late time stable arc behavior. Here we examine constraints on the timestep and mesh size required for arc simulations using the particle-in-cell (PIC) method with direct simulation Monte Carlo (DMSC) collisions. Accurate simulation of electron avalanche across a fixed voltage drop and constant neutral density (reduced field of 1000 Td) was found to require a timestep ~ 1/100 of the mean time between collisions and a mesh size ~ 1/25 the mean free path. These constraints are much smaller than the typical PIC-DSMC requirements for timestep and mesh size. Both constraints are related to the fact that charged particles are accelerated by the external field. Thus gradients in the electron energy distribution function can exist at scales smaller than the mean free path and these must be resolved by the mesh size for accurate collision rates. Additionally, the timestep must be small enough that the particle energy change due to the fields be small in order to capture gradients in the cross sections versus energy. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. DOE's National Nuclear Security Administration under Contract DE-AC04-94AL85000.

  5. An efficient and accurate model of the coax cable feeding structure for FEM simulations

    NASA Technical Reports Server (NTRS)

    Gong, Jian; Volakis, John L.

    1995-01-01

    An efficient and accurate coax cable feed model is proposed for microstrip or cavity-backed patch antennas in the context of a hybrid finite element method (FEM). A TEM mode at the cavity-cable junction is assumed for the FEM truncation and system excitation. Of importance in this implementation is that the cavity unknowns are related to the model fields by enforcing an equipotential condition rather than field continuity. This scheme proved quite accurate and may be applied to other decomposed systems as a connectivity constraint. Comparisons of our predictions with input impedance measurements are presented and demonstrate the substantially improved accuracy of the proposed model.

  6. Three dimensional simulation of transport and fate of oil spill under wave induced circulation.

    PubMed

    Liu, Tianyi; Peter Sheng, Y

    2014-03-15

    An oil spill model is developed and coupled to a current-wave model to simulate oil spill transport in aquatic environments where waves are present. The oil spill model incorporates physical-chemical processes of oil spill, and simulates oil slick transport by a circulation-driven Lagrangian Parcel model. Using the coupled oil spill model and the current-wave model CH3D-SWAN, a laboratory observed wave induced circulation and oil slick evolution are successfully simulated, while different current-wave coupling schemes generate different flow patterns and oil slick evolution. The modeling system is also shown to simulate Langmuir circulation and resulting oil slicks. Hypothetical scenarios of oil spill near Virginia coast during Hurricane Isabel and Irene are simulated using the oil spill model and the CH3D-Storm Surge Modeling System to assess the role of storm waves during oil spill. The spill area is significantly larger when storm waves are considered, implying waves significantly increase oil spill dispersion.

  7. Accurate boundary treatments for lattice Boltzmann simulations of electric fields and electro-kinetic applications

    NASA Astrophysics Data System (ADS)

    Oulaid, Othmane; Chen, Qing; Zhang, Junfeng

    2013-11-01

    In this paper a novel boundary method is proposed for lattice Boltzmann simulations of electric potential fields with complex boundary shapes and conditions. A shifted boundary from the physical surface location is employed in simulations to achieve a better finite-difference approximation of the potential gradient at the physical surface. Simulations are presented to demonstrate the accuracy and capability of this method in dealing with complex surface situations. An example simulation of the electrical double layer and electro-osmotic flow around a three-dimensional spherical particle is also presented. These simulated results are compared with analytical predictions and are found to be in excellent agreement. This method could be useful for electro-kinetic and colloidal simulations with complex boundaries, and can also be readily extended to other phenomena and processes, such as heat transfer and convection-diffusion systems.

  8. Large-scale oil spill simulation using the lattice Boltzmann method, validation on the Lebanon oil spill case.

    PubMed

    Maslo, Aljaž; Panjan, Jože; Žagar, Dušan

    2014-07-15

    This paper tests the adequacy of using the lattice Boltzmann method in large-scale oil spill modelling, such as the Lebanon oil spill. Several numerical experiments were performed in order to select the most appropriate lattice and to decide between the single- and two-relaxation time models. Large-scale oil spills require simulations with short computational times. In order to speed up the computation and preserve adequate accuracy of the model, five different flux limiting interpolation techniques were compared and evaluated. The model was validated on the Lebanon oil spill with regard to the oil-slick position and concentrations in the sea, and the beaching area on the coast. Good agreement with satellite images of the slick and field data on beaching was achieved. The main advantages of the applied method are the capability of simulating very low oil concentrations and computational times that are by an order of magnitude shorter compared to similar models.

  9. Accurate simulation of the electron cloud in the Fermilab Main Injector with VORPAL

    SciTech Connect

    Lebrun, Paul L.G.; Spentzouris, Panagiotis; Cary, John R.; Stoltz, Peter; Veitzer, Seth A.; /Tech-X, Boulder

    2010-05-01

    Precision simulations of the electron cloud at the Fermilab Main Injector have been studied using the plasma simulation code VORPAL. Fully 3D and self consistent solutions that includes E.M. field maps generated by the cloud and the proton bunches have been obtained, as well detailed distributions of the electron's 6D phase space. We plan to include such maps in the ongoing simulation of the space charge effects in the Main Injector. Simulations of the response of beam position monitors, retarding field analyzers and microwave transmission experiments are ongoing.

  10. Metrology target design simulations for accurate and robust scatterometry overlay measurements

    NASA Astrophysics Data System (ADS)

    Ben-Dov, Guy; Tarshish-Shapir, Inna; Gready, David; Ghinovker, Mark; Adel, Mike; Herzel, Eitan; Oh, Soonho; Choi, DongSub; Han, Sang Hyun; El Kodadi, Mohamed; Hwang, Chan; Lee, Jeongjin; Lee, Seung Yoon; Lee, Kuntack

    2016-03-01

    Overlay metrology target design is an essential step prior to performing overlay measurements. This step is done through the optimization of target parameters for a given process stack. A simulation tool is therefore used to improve measurement performances. This work shows how our Metrology Target Design (MTD) simulator helps significantly in the target design process. We show the role of film and Optical CD measurements in improving significantly the fidelity of the simulations. We demonstrate that for various target design parameters we are capable of predicting measured performance metrics by simulations and correctly rank various designs performances.

  11. Oil viscosity limitation on dispersibility of crude oil under simulated at-sea conditions in a large wave tank.

    PubMed

    Trudel, Ken; Belore, Randy C; Mullin, Joseph V; Guarino, Alan

    2010-09-01

    This study determined the limiting oil viscosity for chemical dispersion of oil spills under simulated sea conditions in the large outdoor wave tank at the US National Oil Spill Response Test Facility in New Jersey. Dispersant effectiveness tests were completed using crude oils with viscosities ranging from 67 to 40,100 cP at test temperature. Tests produced an effectiveness-viscosity curve with three phases when oil was treated with Corexit 9500 at a dispersant-to-oil ratio of 1:20. The oil viscosity that limited chemical dispersion under simulated at-sea conditions was in the range of 18,690 cP to 33,400 cP. Visual observations and measurements of oil concentrations and droplet size distributions in the water under treated and control slicks correlated well with direct measurements of effectiveness. The dispersant effectiveness versus oil viscosity relationship under simulated at sea conditions at Ohmsett was most similar to those from similar tests made using the Institut Francais du Pétrole and Exxon Dispersant Effectiveness (EXDET) test methods.

  12. Accurate method for the Brownian dynamics simulation of spherical particles with hard-body interactions

    NASA Astrophysics Data System (ADS)

    Barenbrug, Theo M. A. O. M.; Peters, E. A. J. F. (Frank); Schieber, Jay D.

    2002-11-01

    In Brownian Dynamics simulations, the diffusive motion of the particles is simulated by adding random displacements, proportional to the square root of the chosen time step. When computing average quantities, these Brownian contributions usually average out, and the overall simulation error becomes proportional to the time step. A special situation arises if the particles undergo hard-body interactions that instantaneously change their properties, as in absorption or association processes, chemical reactions, etc. The common "naı̈ve simulation method" accounts for these interactions by checking for hard-body overlaps after every time step. Due to the simplification of the diffusive motion, a substantial part of the actual hard-body interactions is not detected by this method, resulting in an overall simulation error proportional to the square root of the time step. In this paper we take the hard-body interactions during the time step interval into account, using the relative positions of the particles at the beginning and at the end of the time step, as provided by the naı̈ve method, and the analytical solution for the diffusion of a point particle around an absorbing sphere. Öttinger used a similar approach for the one-dimensional case [Stochastic Processes in Polymeric Fluids (Springer, Berlin, 1996), p. 270]. We applied the "corrected simulation method" to the case of a simple, second-order chemical reaction. The results agree with recent theoretical predictions [K. Hyojoon and Joe S. Kook, Phys. Rev. E 61, 3426 (2000)]. The obtained simulation error is proportional to the time step, instead of its square root. The new method needs substantially less simulation time to obtain the same accuracy. Finally, we briefly discuss a straightforward way to extend the method for simulations of systems with additional (deterministic) forces.

  13. Bayesian parameter estimation of a k-ε model for accurate jet-in-crossflow simulations

    SciTech Connect

    Ray, Jaideep; Lefantzi, Sophia; Arunajatesan, Srinivasan; Dechant, Lawrence

    2016-05-31

    Reynolds-averaged Navier–Stokes models are not very accurate for high-Reynolds-number compressible jet-in-crossflow interactions. The inaccuracy arises from the use of inappropriate model parameters and model-form errors in the Reynolds-averaged Navier–Stokes model. In this study, the hypothesis is pursued that Reynolds-averaged Navier–Stokes predictions can be significantly improved by using parameters inferred from experimental measurements of a supersonic jet interacting with a transonic crossflow.

  14. 2-D Simulations for Accurate Extraction of the Specific Contact Resistivity from Contact Resistance Data,

    DTIC Science & Technology

    1985-01-01

    Bridge Kelvin Resistor, the Contact End Resistor, and the Transmission pletely by its sheet resistance . We shall concentrate here on semiconduc- Line...Tap Resistor. For each particular structure, a wniversal set of curves tar to metal contacts. Since the metal sheet resistance is much lower than is...derived that allows accurate determination of V,, given the geometry Of diffusion sheet resistance , metal is considered to be an equipotential the

  15. A Variable Coefficient Method for Accurate Monte Carlo Simulation of Dynamic Asset Price

    NASA Astrophysics Data System (ADS)

    Li, Yiming; Hung, Chih-Young; Yu, Shao-Ming; Chiang, Su-Yun; Chiang, Yi-Hui; Cheng, Hui-Wen

    2007-07-01

    In this work, we propose an adaptive Monte Carlo (MC) simulation technique to compute the sample paths for the dynamical asset price. In contrast to conventional MC simulation with constant drift and volatility (μ,σ), our MC simulation is performed with variable coefficient methods for (μ,σ) in the solution scheme, where the explored dynamic asset pricing model starts from the formulation of geometric Brownian motion. With the method of simultaneously updated (μ,σ), more than 5,000 runs of MC simulation are performed to fulfills basic accuracy of the large-scale computation and suppresses statistical variance. Daily changes of stock market index in Taiwan and Japan are investigated and analyzed.

  16. The Space-Time Conservative Schemes for Large-Scale, Time-Accurate Flow Simulations with Tetrahedral Meshes

    NASA Technical Reports Server (NTRS)

    Venkatachari, Balaji Shankar; Streett, Craig L.; Chang, Chau-Lyan; Friedlander, David J.; Wang, Xiao-Yen; Chang, Sin-Chung

    2016-01-01

    Despite decades of development of unstructured mesh methods, high-fidelity time-accurate simulations are still predominantly carried out on structured, or unstructured hexahedral meshes by using high-order finite-difference, weighted essentially non-oscillatory (WENO), or hybrid schemes formed by their combinations. In this work, the space-time conservation element solution element (CESE) method is used to simulate several flow problems including supersonic jet/shock interaction and its impact on launch vehicle acoustics, and direct numerical simulations of turbulent flows using tetrahedral meshes. This paper provides a status report for the continuing development of the space-time conservation element solution element (CESE) numerical and software framework under the Revolutionary Computational Aerosciences (RCA) project. Solution accuracy and large-scale parallel performance of the numerical framework is assessed with the goal of providing a viable paradigm for future high-fidelity flow physics simulations.

  17. Evaluation of a Second-Order Accurate Navier-Stokes Code for Detached Eddy Simulation Past a Circular Cylinder

    NASA Technical Reports Server (NTRS)

    Vatsa, Veer N.; Singer, Bart A.

    2003-01-01

    We evaluate the applicability of a production computational fluid dynamics code for conducting detached eddy simulation for unsteady flows. A second-order accurate Navier-Stokes code developed at NASA Langley Research Center, known as TLNS3D, is used for these simulations. We focus our attention on high Reynolds number flow (Re = 5 x 10(sup 4) - 1.4 x 10(sup 5)) past a circular cylinder to simulate flows with large-scale separations. We consider two types of flow situations: one in which the flow at the separation point is laminar, and the other in which the flow is already turbulent when it detaches from the surface of the cylinder. Solutions are presented for two- and three-dimensional calculations using both the unsteady Reynolds-averaged Navier-Stokes paradigm and the detached eddy simulation treatment. All calculations use the standard Spalart-Allmaras turbulence model as the base model.

  18. Error Estimation And Accurate Mapping Based ALE Formulation For 3D Simulation Of Friction Stir Welding

    NASA Astrophysics Data System (ADS)

    Guerdoux, Simon; Fourment, Lionel

    2007-05-01

    An Arbitrary Lagrangian Eulerian (ALE) formulation is developed to simulate the different stages of the Friction Stir Welding (FSW) process with the FORGE3® F.E. software. A splitting method is utilized: a) the material velocity/pressure and temperature fields are calculated, b) the mesh velocity is derived from the domain boundary evolution and an adaptive refinement criterion provided by error estimation, c) P1 and P0 variables are remapped. Different velocity computation and remap techniques have been investigated, providing significant improvement with respect to more standard approaches. The proposed ALE formulation is applied to FSW simulation. Steady state welding, but also transient phases are simulated, showing good robustness and accuracy of the developed formulation. Friction parameters are identified for an Eulerian steady state simulation by comparison with experimental results. Void formation can be simulated. Simulations of the transient plunge and welding phases help to better understand the deposition process that occurs at the trailing edge of the probe. Flexibility and robustness of the model finally allows investigating the influence of new tooling designs on the deposition process.

  19. Accurate time delay technology in simulated test for high precision laser range finder

    NASA Astrophysics Data System (ADS)

    Chen, Zhibin; Xiao, Wenjian; Wang, Weiming; Xue, Mingxi

    2015-10-01

    With the continuous development of technology, the ranging accuracy of pulsed laser range finder (LRF) is higher and higher, so the maintenance demand of LRF is also rising. According to the dominant ideology of "time analog spatial distance" in simulated test for pulsed range finder, the key of distance simulation precision lies in the adjustable time delay. By analyzing and comparing the advantages and disadvantages of fiber and circuit delay, a method was proposed to improve the accuracy of the circuit delay without increasing the count frequency of the circuit. A high precision controllable delay circuit was designed by combining the internal delay circuit and external delay circuit which could compensate the delay error in real time. And then the circuit delay accuracy could be increased. The accuracy of the novel circuit delay methods proposed in this paper was actually measured by a high sampling rate oscilloscope actual measurement. The measurement result shows that the accuracy of the distance simulated by the circuit delay is increased from +/- 0.75m up to +/- 0.15m. The accuracy of the simulated distance is greatly improved in simulated test for high precision pulsed range finder.

  20. Numerical simulation and analysis of accurate blood oxygenation measurement by using optical resolution photoacoustic microscopy

    NASA Astrophysics Data System (ADS)

    Yu, Tianhao; Li, Qian; Li, Lin; Zhou, Chuanqing

    2016-10-01

    Accuracy of photoacoustic signal is the crux on measurement of oxygen saturation in functional photoacoustic imaging, which is influenced by factors such as defocus of laser beam, curve shape of large vessels and nonlinear saturation effect of optical absorption in biological tissues. We apply Monte Carlo model to simulate energy deposition in tissues and obtain photoacoustic signals reaching a simulated focused surface detector to investigate corresponding influence of these factors. We also apply compensation on photoacoustic imaging of in vivo cat cerebral cortex blood vessels, in which signals from different lateral positions of vessels are corrected based on simulation results. And this process on photoacoustic images can improve the smoothness and accuracy of oxygen saturation results.

  1. Enabling R&D for accurate simulation of non-ideal explosives.

    SciTech Connect

    Aidun, John Bahram; Thompson, Aidan Patrick; Schmitt, Robert Gerard

    2010-09-01

    We implemented two numerical simulation capabilities essential to reliably predicting the effect of non-ideal explosives (NXs). To begin to be able to treat the multiple, competing, multi-step reaction paths and slower kinetics of NXs, Sandia's CTH shock physics code was extended to include the TIGER thermochemical equilibrium solver as an in-line routine. To facilitate efficient exploration of reaction pathways that need to be identified for the CTH simulations, we implemented in Sandia's LAMMPS molecular dynamics code the MSST method, which is a reactive molecular dynamics technique for simulating steady shock wave response. Our preliminary demonstrations of these two capabilities serve several purposes: (i) they demonstrate proof-of-principle for our approach; (ii) they provide illustration of the applicability of the new functionality; and (iii) they begin to characterize the use of the new functionality and identify where improvements will be needed for the ultimate capability to meet national security needs. Next steps are discussed.

  2. OBSERVING SIMULATED PROTOSTARS WITH OUTFLOWS: HOW ACCURATE ARE PROTOSTELLAR PROPERTIES INFERRED FROM SEDs?

    SciTech Connect

    Offner, Stella S. R.; Robitaille, Thomas P.; Hansen, Charles E.; Klein, Richard I.; McKee, Christopher F.

    2012-07-10

    The properties of unresolved protostars and their local environment are frequently inferred from spectral energy distributions (SEDs) using radiative transfer modeling. In this paper, we use synthetic observations of realistic star formation simulations to evaluate the accuracy of properties inferred from fitting model SEDs to observations. We use ORION, an adaptive mesh refinement (AMR) three-dimensional gravito-radiation-hydrodynamics code, to simulate low-mass star formation in a turbulent molecular cloud including the effects of protostellar outflows. To obtain the dust temperature distribution and SEDs of the forming protostars, we post-process the simulations using HYPERION, a state-of-the-art Monte Carlo radiative transfer code. We find that the ORION and HYPERION dust temperatures typically agree within a factor of two. We compare synthetic SEDs of embedded protostars for a range of evolutionary times, simulation resolutions, aperture sizes, and viewing angles. We demonstrate that complex, asymmetric gas morphology leads to a variety of classifications for individual objects as a function of viewing angle. We derive best-fit source parameters for each SED through comparison with a pre-computed grid of radiative transfer models. While the SED models correctly identify the evolutionary stage of the synthetic sources as embedded protostars, we show that the disk and stellar parameters can be very discrepant from the simulated values, which is expected since the disk and central source are obscured by the protostellar envelope. Parameters such as the stellar accretion rate, stellar mass, and disk mass show better agreement, but can still deviate significantly, and the agreement may in some cases be artificially good due to the limited range of parameters in the set of model SEDs. Lack of correlation between the model and simulation properties in many individual instances cautions against overinterpreting properties inferred from SEDs for unresolved protostellar

  3. A hybrid method for efficient and accurate simulations of diffusion compartment imaging signals

    NASA Astrophysics Data System (ADS)

    Rensonnet, Gaëtan; Jacobs, Damien; Macq, Benoît; Taquet, Maxime

    2015-12-01

    Diffusion-weighted imaging is sensitive to the movement of water molecules through the tissue microstructure and can therefore be used to gain insight into the tissue cellular architecture. While the diffusion signal arising from simple geometrical microstructure is known analytically, it remains unclear what diffusion signal arises from complex microstructural configurations. Such knowledge is important to design optimal acquisition sequences, to understand the limitations of diffusion-weighted imaging and to validate novel models of the brain microstructure. We present a novel framework for the efficient simulation of high-quality DW-MRI signals based on the hybrid combination of exact analytic expressions in simple geometric compartments such as cylinders and spheres and Monte Carlo simulations in more complex geometries. We validate our approach on synthetic arrangements of parallel cylinders representing the geometry of white matter fascicles, by comparing it to complete, all-out Monte Carlo simulations commonly used in the literature. For typical configurations, equal levels of accuracy are obtained with our hybrid method in less than one fifth of the computational time required for Monte Carlo simulations.

  4. Accurate treatments of electrostatics for computer simulations of biological systems: A brief survey of developments and existing problems

    NASA Astrophysics Data System (ADS)

    Yi, Sha-Sha; Pan, Cong; Hu, Zhong-Han

    2015-12-01

    Modern computer simulations of biological systems often involve an explicit treatment of the complex interactions among a large number of molecules. While it is straightforward to compute the short-ranged Van der Waals interaction in classical molecular dynamics simulations, it has been a long-lasting issue to develop accurate methods for the longranged Coulomb interaction. In this short review, we discuss three types of methodologies for the accurate treatment of electrostatics in simulations of explicit molecules: truncation-type methods, Ewald-type methods, and mean-field-type methods. Throughout the discussion, we brief the formulations and developments of these methods, emphasize the intrinsic connections among the three types of methods, and focus on the existing problems which are often associated with the boundary conditions of electrostatics. This brief survey is summarized with a short perspective on future trends along the method developments and applications in the field of biological simulations. Project supported by the National Natural Science Foundation of China (Grant Nos. 91127015 and 21522304) and the Open Project from the State Key Laboratory of Theoretical Physics, and the Innovation Project from the State Key Laboratory of Supramolecular Structure and Materials.

  5. Modeling and simulating the bidirectional reflectance distribution function (BRDF) of seawater covered by oil slicks

    NASA Astrophysics Data System (ADS)

    Ren, Zijian; Ma, Chunyong; Chen, Lu; Chen, Ge

    2016-05-01

    A high-efficiency anisotropic model for bidirectional reflectance distribution function (BRDF) of seawater covered by oil slicks (SWCOS) was proposed. This model was set by combining a BRDF model for anisotropic rough sea surface whose slopes follow Gaussian distribution and the two-beam inference theory of a thin film. We have simulated the BRDFs of oil slicks by using the above model and the measured complex refractive index data of Romashkino crude oil. In addition, the relationships between the BRDF of oil slicks and the wind speed of sea surface, thickness of oil slick, complex refractive index of crude oil and the incident zenith angle were analyzed. Also, the differences between optical characteristics of clean water and of polluted water were discussed in the context of the optical contrast of SWCOS. With high simulation speed and reliable simulation precision, this model provides a theoretical basis for rapid detection of oil spill.

  6. A new class of accurate, mesh-free hydrodynamic simulation methods

    NASA Astrophysics Data System (ADS)

    Hopkins, Philip F.

    2015-06-01

    We present two new Lagrangian methods for hydrodynamics, in a systematic comparison with moving-mesh, smoothed particle hydrodynamics (SPH), and stationary (non-moving) grid methods. The new methods are designed to simultaneously capture advantages of both SPH and grid-based/adaptive mesh refinement (AMR) schemes. They are based on a kernel discretization of the volume coupled to a high-order matrix gradient estimator and a Riemann solver acting over the volume `overlap'. We implement and test a parallel, second-order version of the method with self-gravity and cosmological integration, in the code GIZMO:1 this maintains exact mass, energy and momentum conservation; exhibits superior angular momentum conservation compared to all other methods we study; does not require `artificial diffusion' terms; and allows the fluid elements to move with the flow, so resolution is automatically adaptive. We consider a large suite of test problems, and find that on all problems the new methods appear competitive with moving-mesh schemes, with some advantages (particularly in angular momentum conservation), at the cost of enhanced noise. The new methods have many advantages versus SPH: proper convergence, good capturing of fluid-mixing instabilities, dramatically reduced `particle noise' and numerical viscosity, more accurate sub-sonic flow evolution, and sharp shock-capturing. Advantages versus non-moving meshes include: automatic adaptivity, dramatically reduced advection errors and numerical overmixing, velocity-independent errors, accurate coupling to gravity, good angular momentum conservation and elimination of `grid alignment' effects. We can, for example, follow hundreds of orbits of gaseous discs, while AMR and SPH methods break down in a few orbits. However, fixed meshes minimize `grid noise'. These differences are important for a range of astrophysical problems.

  7. Time-accurate simulations of a shear layer forced at a single frequency

    NASA Technical Reports Server (NTRS)

    Claus, R. W.; Huang, P. G.; Macinnes, J. M.

    1988-01-01

    Calculations are presented for the forced shear layer studied experimentally by Oster and Wygnanski, and Weisbrot. Two different computational approaches are examined: Direct Numerical Simulation (DNS) and Large Eddy Simulation (LES). The DNS approach solves the full three dimensional Navier-Stokes equations for a temporally evolving mixing layer, while the LES approach solves the two dimensional Navier-Stokes equations with a subgrid scale turbulence model. While the comparison between these calculations and experimental data was hampered by a lack of information on the inflow boundary conditions, the calculations are shown to qualitatively agree with several aspects of the experiment. The sensitivity of these calculations to factors such as mesh refinement and Reynolds number is illustrated.

  8. Utilizing fast multipole expansions for efficient and accurate quantum-classical molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Schwörer, Magnus; Lorenzen, Konstantin; Mathias, Gerald; Tavan, Paul

    2015-03-01

    Recently, a novel approach to hybrid quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulations has been suggested [Schwörer et al., J. Chem. Phys. 138, 244103 (2013)]. Here, the forces acting on the atoms are calculated by grid-based density functional theory (DFT) for a solute molecule and by a polarizable molecular mechanics (PMM) force field for a large solvent environment composed of several 103-105 molecules as negative gradients of a DFT/PMM hybrid Hamiltonian. The electrostatic interactions are efficiently described by a hierarchical fast multipole method (FMM). Adopting recent progress of this FMM technique [Lorenzen et al., J. Chem. Theory Comput. 10, 3244 (2014)], which particularly entails a strictly linear scaling of the computational effort with the system size, and adapting this revised FMM approach to the computation of the interactions between the DFT and PMM fragments of a simulation system, here, we show how one can further enhance the efficiency and accuracy of such DFT/PMM-MD simulations. The resulting gain of total performance, as measured for alanine dipeptide (DFT) embedded in water (PMM) by the product of the gains in efficiency and accuracy, amounts to about one order of magnitude. We also demonstrate that the jointly parallelized implementation of the DFT and PMM-MD parts of the computation enables the efficient use of high-performance computing systems. The associated software is available online.

  9. Pre-Stall Behavior of a Transonic Axial Compressor Stage via Time-Accurate Numerical Simulation

    NASA Technical Reports Server (NTRS)

    Chen, Jen-Ping; Hathaway, Michael D.; Herrick, Gregory P.

    2008-01-01

    CFD calculations using high-performance parallel computing were conducted to simulate the pre-stall flow of a transonic compressor stage, NASA compressor Stage 35. The simulations were run with a full-annulus grid that models the 3D, viscous, unsteady blade row interaction without the need for an artificial inlet distortion to induce stall. The simulation demonstrates the development of the rotating stall from the growth of instabilities. Pressure-rise performance and pressure traces are compared with published experimental data before the study of flow evolution prior to the rotating stall. Spatial FFT analysis of the flow indicates a rotating long-length disturbance of one rotor circumference, which is followed by a spike-type breakdown. The analysis also links the long-length wave disturbance with the initiation of the spike inception. The spike instabilities occur when the trajectory of the tip clearance flow becomes perpendicular to the axial direction. When approaching stall, the passage shock changes from a single oblique shock to a dual-shock, which distorts the perpendicular trajectory of the tip clearance vortex but shows no evidence of flow separation that may contribute to stall.

  10. Can virtual simulation of breast tangential portals accurately predict lung and heart volumes?

    PubMed

    Cooke, Stacey; Rattray, Greg

    2003-03-01

    A treatment portal or simulator image has traditionally been used to demonstrate the lung and heart coverage of the breast tangential portal. In many cases, these images were acquired as a planning session on the linear accelerator. The patients were also CT scanned to assess the lung/heart volume and to determine the surgical site depth for the electron-boost energy. A study using 50 consecutive patients was performed comparing the digitally reconstructed radiograph (DRR) from the virtual simulation with treatment portal images. Modification to the patient's arm position is required when performing the planning CT scans due to the aperture size of the CT scanner. Virtual simulation was used to assess the potential variation of lung and heart measurements. The average difference in lung volume between the DRR and portal image was less than 2 mm, with a range of 0-5 mm. Arm position did not have a significant impact on field deviation; however, great care was taken to minimize any changes in arm position. The modification of the arm position for CT scanning did not lead to significant variations between the DRRs and portal images. The Advantage Sim software has proven capable of producing good quality DRR images, providing a realistic representation of the lung and heart volume included in the treatment portal.

  11. Utilizing fast multipole expansions for efficient and accurate quantum-classical molecular dynamics simulations

    SciTech Connect

    Schwörer, Magnus; Lorenzen, Konstantin; Mathias, Gerald; Tavan, Paul

    2015-03-14

    Recently, a novel approach to hybrid quantum mechanics/molecular mechanics (QM/MM) molecular dynamics (MD) simulations has been suggested [Schwörer et al., J. Chem. Phys. 138, 244103 (2013)]. Here, the forces acting on the atoms are calculated by grid-based density functional theory (DFT) for a solute molecule and by a polarizable molecular mechanics (PMM) force field for a large solvent environment composed of several 10{sup 3}-10{sup 5} molecules as negative gradients of a DFT/PMM hybrid Hamiltonian. The electrostatic interactions are efficiently described by a hierarchical fast multipole method (FMM). Adopting recent progress of this FMM technique [Lorenzen et al., J. Chem. Theory Comput. 10, 3244 (2014)], which particularly entails a strictly linear scaling of the computational effort with the system size, and adapting this revised FMM approach to the computation of the interactions between the DFT and PMM fragments of a simulation system, here, we show how one can further enhance the efficiency and accuracy of such DFT/PMM-MD simulations. The resulting gain of total performance, as measured for alanine dipeptide (DFT) embedded in water (PMM) by the product of the gains in efficiency and accuracy, amounts to about one order of magnitude. We also demonstrate that the jointly parallelized implementation of the DFT and PMM-MD parts of the computation enables the efficient use of high-performance computing systems. The associated software is available online.

  12. Accurate simulation of the electron cloud in the Fermilab Main Injector with VORPAL

    SciTech Connect

    Lebrun, Paul L.G.; Spentzouris, Panagiotis; Cary, John R.; Stoltz, Peter; Veitzer, Seth A.; /Tech-X, Boulder

    2011-01-01

    We present results from a precision simulation of the electron cloud (EC) in the Fermilab Main Injector using the code VORPAL. This is a fully 3d and self consistent treatment of the EC. Both distributions of electrons in 6D phase-space and E.M. field maps have been generated. This has been done for various configurations of the magnetic fields found around the machine have been studied. Plasma waves associated to the fluctuation density of the cloud have been analyzed. Our results are compared with those obtained with the POSINST code. The response of a Retarding Field Analyzer (RFA) to the EC has been simulated, as well as the more challenging microwave absorption experiment. Definite predictions of their exact response are difficult to obtain,mostly because of the uncertainties in the secondary emission yield and, in the case of the RFA, because of the sensitivity of the electron collection efficiency to unknown stray magnetic fields. Nonetheless, our simulations do provide guidance to the experimental program.

  13. Dissipative particle dynamics simulation on the rheological properties of heavy crude oil

    NASA Astrophysics Data System (ADS)

    Wang, Sibo; Xu, Junbo; Wen, Hao

    2015-11-01

    The rheological properties of heavy crude oil have a significant impact on the production, refining and transportation. In this paper, dissipative particle dynamics (DPD) simulations were performed to study the effects of the addition of light crude oil and emulsification on the rheological properties of heavy crude oil. The simulation results reflected that the addition of light crude oil reduced the viscosity effectively. The shear thinning behaviour of crude oil mixtures were becoming less distinct as the increase of the mass fraction of light crude oil. According to the statistics, the shear had an influence on the aggregation and spatial orientation of asphaltene molecules. In addition, the relationship between the viscosity and the oil mass fraction was investigated in the simulations of emulsion systems. The viscosity increased with the oil mass fraction slowly in oil-in-water emulsions. When the oil mass fraction was higher than 50%, the increase became much faster since systems had been converted into water-in-oil emulsions. The equilibrated morphologies of emulsion systems were shown to illustrate the phase inversion. The surfactant-like feature of asphaltenes was also studied in the simulations.

  14. Development of accurate waveform models for eccentric compact binaries with numerical relativity simulations

    NASA Astrophysics Data System (ADS)

    Huerta, Eliu; Agarwal, Bhanu; Chua, Alvin; George, Daniel; Haas, Roland; Hinder, Ian; Kumar, Prayush; Moore, Christopher; Pfeiffer, Harald

    2017-01-01

    We recently constructed an inspiral-merger-ringdown (IMR) waveform model to describe the dynamical evolution of compact binaries on eccentric orbits, and used this model to constrain the eccentricity with which the gravitational wave transients currently detected by LIGO could be effectively recovered with banks of quasi-circular templates. We now present the second generation of this model, which is calibrated using a large catalog of eccentric numerical relativity simulations. We discuss the new features of this model, and show that its enhance accuracy makes it a powerful tool to detect eccentric signals with LIGO.

  15. Accurate Simulation of MPPT Methods Performance When Applied to Commercial Photovoltaic Panels

    PubMed Central

    2015-01-01

    A new, simple, and quick-calculation methodology to obtain a solar panel model, based on the manufacturers' datasheet, to perform MPPT simulations, is described. The method takes into account variations on the ambient conditions (sun irradiation and solar cells temperature) and allows fast MPPT methods comparison or their performance prediction when applied to a particular solar panel. The feasibility of the described methodology is checked with four different MPPT methods applied to a commercial solar panel, within a day, and under realistic ambient conditions. PMID:25874262

  16. Accurate simulation of MPPT methods performance when applied to commercial photovoltaic panels.

    PubMed

    Cubas, Javier; Pindado, Santiago; Sanz-Andrés, Ángel

    2015-01-01

    A new, simple, and quick-calculation methodology to obtain a solar panel model, based on the manufacturers' datasheet, to perform MPPT simulations, is described. The method takes into account variations on the ambient conditions (sun irradiation and solar cells temperature) and allows fast MPPT methods comparison or their performance prediction when applied to a particular solar panel. The feasibility of the described methodology is checked with four different MPPT methods applied to a commercial solar panel, within a day, and under realistic ambient conditions.

  17. A fast but accurate excitonic simulation of the electronic circular dichroism of nucleic acids: how can it be achieved?

    PubMed

    Loco, Daniele; Jurinovich, Sandro; Di Bari, Lorenzo; Mennucci, Benedetta

    2016-01-14

    We present and discuss a simple and fast computational approach to the calculation of electronic circular dichroism spectra of nucleic acids. It is based on a exciton model in which the couplings are obtained in terms of the full transition-charge distributions, as resulting from TDDFT methods applied on the individual nucleobases. We validated the method on two systems, a DNA G-quadruplex and a RNA β-hairpin whose solution structures have been accurately determined by means of NMR. We have shown that the different characteristics of composition and structure of the two systems can lead to quite important differences in the dependence of the accuracy of the simulation on the excitonic parameters. The accurate reproduction of the CD spectra together with their interpretation in terms of the excitonic composition suggest that this method may lend itself as a general computational tool to both predict the spectra of hypothetic structures and define clear relationships between structural and ECD properties.

  18. Consistent Multigroup Theory Enabling Accurate Course-Group Simulation of Gen IV Reactors

    SciTech Connect

    Rahnema, Farzad; Haghighat, Alireza; Ougouag, Abderrafi

    2013-11-29

    The objective of this proposal is the development of a consistent multi-group theory that accurately accounts for the energy-angle coupling associated with collapsed-group cross sections. This will allow for coarse-group transport and diffusion theory calculations that exhibit continuous energy accuracy and implicitly treat cross- section resonances. This is of particular importance when considering the highly heterogeneous and optically thin reactor designs within the Next Generation Nuclear Plant (NGNP) framework. In such reactors, ignoring the influence of anisotropy in the angular flux on the collapsed cross section, especially at the interface between core and reflector near which control rods are located, results in inaccurate estimates of the rod worth, a serious safety concern. The scope of this project will include the development and verification of a new multi-group theory enabling high-fidelity transport and diffusion calculations in coarse groups, as well as a methodology for the implementation of this method in existing codes. This will allow for a higher accuracy solution of reactor problems while using fewer groups and will reduce the computational expense. The proposed research represents a fundamental advancement in the understanding and improvement of multi- group theory for reactor analysis.

  19. Accurate and efficient integration for molecular dynamics simulations at constant temperature and pressure.

    PubMed

    Lippert, Ross A; Predescu, Cristian; Ierardi, Douglas J; Mackenzie, Kenneth M; Eastwood, Michael P; Dror, Ron O; Shaw, David E

    2013-10-28

    In molecular dynamics simulations, control over temperature and pressure is typically achieved by augmenting the original system with additional dynamical variables to create a thermostat and a barostat, respectively. These variables generally evolve on timescales much longer than those of particle motion, but typical integrator implementations update the additional variables along with the particle positions and momenta at each time step. We present a framework that replaces the traditional integration procedure with separate barostat, thermostat, and Newtonian particle motion updates, allowing thermostat and barostat updates to be applied infrequently. Such infrequent updates provide a particularly substantial performance advantage for simulations parallelized across many computer processors, because thermostat and barostat updates typically require communication among all processors. Infrequent updates can also improve accuracy by alleviating certain sources of error associated with limited-precision arithmetic. In addition, separating the barostat, thermostat, and particle motion update steps reduces certain truncation errors, bringing the time-average pressure closer to its target value. Finally, this framework, which we have implemented on both general-purpose and special-purpose hardware, reduces software complexity and improves software modularity.

  20. Fast and Accurate Hybrid Stream PCRTMSOLAR Radiative Transfer Model for Reflected Solar Spectrum Simulation in the Cloudy Atmosphere

    NASA Technical Reports Server (NTRS)

    Yang, Qiguang; Liu, Xu; Wu, Wan; Kizer, Susan; Baize, Rosemary R.

    2016-01-01

    A hybrid stream PCRTM-SOLAR model has been proposed for fast and accurate radiative transfer simulation. It calculates the reflected solar (RS) radiances with a fast coarse way and then, with the help of a pre-saved matrix, transforms the results to obtain the desired high accurate RS spectrum. The methodology has been demonstrated with the hybrid stream discrete ordinate (HSDO) radiative transfer (RT) model. The HSDO method calculates the monochromatic radiances using a 4-stream discrete ordinate method, where only a small number of monochromatic radiances are simulated with both 4-stream and a larger N-stream (N = 16) discrete ordinate RT algorithm. The accuracy of the obtained channel radiance is comparable to the result from N-stream moderate resolution atmospheric transmission version 5 (MODTRAN5). The root-mean-square errors are usually less than 5x10(exp -4) mW/sq cm/sr/cm. The computational speed is three to four-orders of magnitude faster than the medium speed correlated-k option MODTRAN5. This method is very efficient to simulate thousands of RS spectra under multi-layer clouds/aerosols and solar radiation conditions for climate change study and numerical weather prediction applications.

  1. Rapid and Accurate T2 Mapping from Multi Spin Echo Data Using Bloch-Simulation-Based Reconstruction

    PubMed Central

    Ben-Eliezer, Noam; Sodickson, Daniel K; Block, Tobias Kai

    2014-01-01

    Purpose Quantitative T2-relaxation-based contrast has the potential to provide valuable clinical information. Practical T2-mapping, however, is impaired either by prohibitively long acquisition times or by contamination of fast multi-echo protocols by stimulated and indirect echoes. This work presents a novel post-processing approach aiming to overcome the common penalties associated with multi-echo protocols, and enabling rapid and accurate mapping of T2 relaxation values. Methods Bloch simulations are used to estimate the actual echo modulation curve (EMC) in a multi spin-echo experiment. Simulations are repeated for a range of T2 values and transmit field scales, yielding a database of simulated EMCs, which is then used to identify the T2 value whose EMC most closely matches the experimentally measured data at each voxel. Results T2 maps of both phantom and in vivo scans were successfully reconstructed, closely matching maps produced from single spin-echo data. Results were consistent over the physiological range of T2 values and across different experimental settings. Conclusion The proposed technique allows accurate T2 mapping in clinically feasible scan times, free of user- and scanner-dependent variations, while providing a comprehensive framework that can be extended to model other parameters (e.g., T1, B1+, B0, diffusion) and support arbitrary acquisition schemes. PMID:24648387

  2. TRIM—3D: a three-dimensional model for accurate simulation of shallow water flow

    USGS Publications Warehouse

    Casulli, Vincenzo; Bertolazzi, Enrico; Cheng, Ralph T.

    1993-01-01

    A semi-implicit finite difference formulation for the numerical solution of three-dimensional tidal circulation is discussed. The governing equations are the three-dimensional Reynolds equations in which the pressure is assumed to be hydrostatic. A minimal degree of implicitness has been introduced in the finite difference formula so that the resulting algorithm permits the use of large time steps at a minimal computational cost. This formulation includes the simulation of flooding and drying of tidal flats, and is fully vectorizable for an efficient implementation on modern vector computers. The high computational efficiency of this method has made it possible to provide the fine details of circulation structure in complex regions that previous studies were unable to obtain. For proper interpretation of the model results suitable interactive graphics is also an essential tool.

  3. Simulating Expert Clinical Comprehension: Adapting Latent Semantic Analysis to Accurately Extract Clinical Concepts from Psychiatric Narrative

    PubMed Central

    Cohen, Trevor; Blatter, Brett; Patel, Vimla

    2008-01-01

    Cognitive studies reveal that less-than-expert clinicians are less able to recognize meaningful patterns of data in clinical narratives. Accordingly, psychiatric residents early in training fail to attend to information that is relevant to diagnosis and the assessment of dangerousness. This manuscript presents cognitively motivated methodology for the simulation of expert ability to organize relevant findings supporting intermediate diagnostic hypotheses. Latent Semantic Analysis is used to generate a semantic space from which meaningful associations between psychiatric terms are derived. Diagnostically meaningful clusters are modeled as geometric structures within this space and compared to elements of psychiatric narrative text using semantic distance measures. A learning algorithm is defined that alters components of these geometric structures in response to labeled training data. Extraction and classification of relevant text segments is evaluated against expert annotation, with system-rater agreement approximating rater-rater agreement. A range of biomedical informatics applications for these methods are suggested. PMID:18455483

  4. Accurate schemes for calculation of thermodynamic properties of liquid mixtures from molecular dynamics simulations.

    PubMed

    Caro, Miguel A; Laurila, Tomi; Lopez-Acevedo, Olga

    2016-12-28

    We explore different schemes for improved accuracy of entropy calculations in aqueous liquid mixtures from molecular dynamics (MD) simulations. We build upon the two-phase thermodynamic (2PT) model of Lin et al. [J. Chem. Phys. 119, 11792 (2003)] and explore new ways to obtain the partition between the gas-like and solid-like parts of the density of states, as well as the effect of the chosen ideal "combinatorial" entropy of mixing, both of which have a large impact on the results. We also propose a first-order correction to the issue of kinetic energy transfer between degrees of freedom (DoF). This problem arises when the effective temperatures of translational, rotational, and vibrational DoF are not equal, either due to poor equilibration or reduced system size/time sampling, which are typical problems for ab initio MD. The new scheme enables improved convergence of the results with respect to configurational sampling, by up to one order of magnitude, for short MD runs. To ensure a meaningful assessment, we perform MD simulations of liquid mixtures of water with several other molecules of varying sizes: methanol, acetonitrile, N, N-dimethylformamide, and n-butanol. Our analysis shows that results in excellent agreement with experiment can be obtained with little computational effort for some systems. However, the ability of the 2PT method to succeed in these calculations is strongly influenced by the choice of force field, the fluidicity (hard-sphere) formalism employed to obtain the solid/gas partition, and the assumed combinatorial entropy of mixing. We tested two popular force fields, GAFF and OPLS with SPC/E water. For the mixtures studied, the GAFF force field seems to perform as a slightly better "all-around" force field when compared to OPLS+SPC/E.

  5. A specific PFT and sub-canopy structure for simulating oil palm in the Community Land Model

    NASA Astrophysics Data System (ADS)

    Fan, Y.; Knohl, A.; Roupsard, O.; Bernoux, M.; LE Maire, G.; Panferov, O.; Kotowska, M.; Meijide, A.

    2015-12-01

    Towards an effort to quantify the effects of rainforests to oil palm conversion on land-atmosphere carbon, water and energy fluxes, a specific plant functional type (PFT) and sub-canopy structure are developed for simulating oil palm within the Community Land Model (CLM4.5). Current global land surface models only simulate annual crops beside natural vegetation. In this study, a multilayer oil palm subroutine is developed in CLM4.5 for simulating oil palm's phenology and carbon and nitrogen allocation. The oil palm has monopodial morphology and sequential phenology of around 40 stacked phytomers, each carrying a large leaf and a fruit bunch, forming a natural multilayer canopy. A sub-canopy phenological and physiological parameterization is thus introduced, so that multiple phytomer components develop simultaneously but according to their different phenological steps (growth, yield and senescence) at different canopy layers. This specific multilayer structure was proved useful for simulating canopy development in terms of leaf area index (LAI) and fruit yield in terms of carbon and nitrogen outputs in Jambi, Sumatra (Fan et al. 2015). The study supports that species-specific traits, such as palm's monopodial morphology and sequential phenology, are necessary representations in terrestrial biosphere models in order to accurately simulate vegetation dynamics and feedbacks to climate. Further, oil palm's multilayer structure allows adding all canopy-level calculations of radiation, photosynthesis, stomatal conductance and respiration, beside phenology, also to the sub-canopy level, so as to eliminate scale mismatch problem among different processes. A series of adaptations are made to the CLM model. Initial results show that the adapted multilayer radiative transfer scheme and the explicit represention of oil palm's canopy structure improve on simulating photosynthesis-light response curve. The explicit photosynthesis and dynamic leaf nitrogen calculations per canopy

  6. CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES: An Accurate Image Simulation Method for High-Order Laue Zone Effects

    NASA Astrophysics Data System (ADS)

    Cai, Can-Ying; Zeng, Song-Jun; Liu, Hong-Rong; Yang, Qi-Bin

    2008-05-01

    A completely different formulation for simulation of the high order Laue zone (HOLZ) diffractions is derived. It refers to the new method, i.e. the Taylor series (TS) method. To check the validity and accuracy of the TS method, we take polyvinglidene fluoride (PVDF) crystal as an example to calculate the exit wavefunction by the conventional multi-slice (CMS) method and the TS method. The calculated results show that the TS method is much more accurate than the CMS method and is independent of the slice thicknesses. Moreover, the pure first order Laue zone wavefunction by the TS method can reflect the major potential distribution of the first reciprocal plane.

  7. A novel approach for accurate radiative transfer in cosmological hydrodynamic simulations

    NASA Astrophysics Data System (ADS)

    Petkova, Margarita; Springel, Volker

    2011-08-01

    accurately deal with non-equilibrium effects. We discuss several tests of the new method, including shadowing configurations in two and three dimensions, ionized sphere expansion in static and dynamic density fields and the ionization of a cosmological density field. The tests agree favourably with analytical expectations and results based on other numerical radiative transfer approximations.

  8. Accurate laser guide star wavefront sensor simulation for the E-ELT first light adaptive optics module

    NASA Astrophysics Data System (ADS)

    Patti, Mauro; Schreiber, Laura; Arcidiacono, Carmelo; Bregoli, Giovanni; Ciliegi, Paolo; Diolaiti, Emiliano; Esposito, Simone; Feautrier, Philippe; Lombini, Matteo

    2016-07-01

    MAORY will be the multi-conjugate adaptive optics module for the E-ELT first light. The baseline is to operate wavefront sensing using 6 Sodium Laser Guide Stars and 3 Natural Guide Stars to solve intrinsic limitations of artificial beacons and to mitigate the impact of the sodium layer structure and variability. In particular, some critical components of MAORY require to be designed and dimensioned in order to reduce the spurious effects arising from the Sodium Layer density distribution and variation. The MAORY end-to-end simulation code has been designed to accurately model the Laser Guide Star image in the Shack-Hartmann wavefront sensor sub-apertures and to allow sodium profile temporal evolution. The fidelity with which the simulation code translates the sodium profiles in Laser Guide Star images at the wavefront sensor focal plane has been verified using a laboratory Prototype.

  9. DISPERSANT EFFECTIVENESS ON THREE OILS UNDER VARIOUS SIMULATED ENVIRONMENTAL CONDITIONS

    EPA Science Inventory

    The complexity of chemical and physical interactions between spilled oils, dispersants and the sea, necessitates an empirical approach for describing the interaction between the dispersant and oil slick which may provide a guide to dispersant effects on oil slicks. Recently, US ...

  10. Voxel-based registration of simulated and real patient CBCT data for accurate dental implant pose estimation

    NASA Astrophysics Data System (ADS)

    Moreira, António H. J.; Queirós, Sandro; Morais, Pedro; Rodrigues, Nuno F.; Correia, André Ricardo; Fernandes, Valter; Pinho, A. C. M.; Fonseca, Jaime C.; Vilaça, João. L.

    2015-03-01

    The success of dental implant-supported prosthesis is directly linked to the accuracy obtained during implant's pose estimation (position and orientation). Although traditional impression techniques and recent digital acquisition methods are acceptably accurate, a simultaneously fast, accurate and operator-independent methodology is still lacking. Hereto, an image-based framework is proposed to estimate the patient-specific implant's pose using cone-beam computed tomography (CBCT) and prior knowledge of implanted model. The pose estimation is accomplished in a threestep approach: (1) a region-of-interest is extracted from the CBCT data using 2 operator-defined points at the implant's main axis; (2) a simulated CBCT volume of the known implanted model is generated through Feldkamp-Davis-Kress reconstruction and coarsely aligned to the defined axis; and (3) a voxel-based rigid registration is performed to optimally align both patient and simulated CBCT data, extracting the implant's pose from the optimal transformation. Three experiments were performed to evaluate the framework: (1) an in silico study using 48 implants distributed through 12 tridimensional synthetic mandibular models; (2) an in vitro study using an artificial mandible with 2 dental implants acquired with an i-CAT system; and (3) two clinical case studies. The results shown positional errors of 67+/-34μm and 108μm, and angular misfits of 0.15+/-0.08° and 1.4°, for experiment 1 and 2, respectively. Moreover, in experiment 3, visual assessment of clinical data results shown a coherent alignment of the reference implant. Overall, a novel image-based framework for implants' pose estimation from CBCT data was proposed, showing accurate results in agreement with dental prosthesis modelling requirements.

  11. An accurate elasto-plastic frictional tangential force displacement model for granular-flow simulations: Displacement-driven formulation

    NASA Astrophysics Data System (ADS)

    Zhang, Xiang; Vu-Quoc, Loc

    2007-07-01

    We present in this paper the displacement-driven version of a tangential force-displacement (TFD) model that accounts for both elastic and plastic deformations together with interfacial friction occurring in collisions of spherical particles. This elasto-plastic frictional TFD model, with its force-driven version presented in [L. Vu-Quoc, L. Lesburg, X. Zhang. An accurate tangential force-displacement model for granular-flow simulations: contacting spheres with plastic deformation, force-driven formulation, Journal of Computational Physics 196(1) (2004) 298-326], is consistent with the elasto-plastic frictional normal force-displacement (NFD) model presented in [L. Vu-Quoc, X. Zhang. An elasto-plastic contact force-displacement model in the normal direction: displacement-driven version, Proceedings of the Royal Society of London, Series A 455 (1991) 4013-4044]. Both the NFD model and the present TFD model are based on the concept of additive decomposition of the radius of contact area into an elastic part and a plastic part. The effect of permanent indentation after impact is represented by a correction to the radius of curvature. The effect of material softening due to plastic flow is represented by a correction to the elastic moduli. The proposed TFD model is accurate, and is validated against nonlinear finite element analyses involving plastic flows in both the loading and unloading conditions. The proposed consistent displacement-driven, elasto-plastic NFD and TFD models are designed for implementation in computer codes using the discrete-element method (DEM) for granular-flow simulations. The model is shown to be accurate and is validated against nonlinear elasto-plastic finite-element analysis.

  12. Reactive plasma upgrade of squalane - a heavy oil simulant

    SciTech Connect

    Kong, P.C.; Watkins, A.D.; Detering, B.A.; Thomas, C.P.

    1995-10-01

    U.S. light crude oil production has steadily declined over the last two decades. However, huge known heavy oil deposits in the North American continent remain largely untapped. In the past 10 years, the API gravity of crude oils has been decreasing by about 0.17% per year, and the sulfur content has been increasing by about 0.027% per year. As the API gravity of crude oil decreases, there will be an urgent need for economically viable new technologies to upgrade the heavy oil to a high API gravity feed stock for the refineries. The Idaho National Engineering Laboratory is investigating an innovative plasma process to upgrade heavy oil and refinery residuum. This paper will present some of the results and the implications of this technology for heavy oil upgrade and conversion.

  13. Multigrid Methods for Fully Implicit Oil Reservoir Simulation

    NASA Technical Reports Server (NTRS)

    Molenaar, J.

    1996-01-01

    In this paper we consider the simultaneous flow of oil and water in reservoir rock. This displacement process is modeled by two basic equations: the material balance or continuity equations and the equation of motion (Darcy's law). For the numerical solution of this system of nonlinear partial differential equations there are two approaches: the fully implicit or simultaneous solution method and the sequential solution method. In the sequential solution method the system of partial differential equations is manipulated to give an elliptic pressure equation and a hyperbolic (or parabolic) saturation equation. In the IMPES approach the pressure equation is first solved, using values for the saturation from the previous time level. Next the saturations are updated by some explicit time stepping method; this implies that the method is only conditionally stable. For the numerical solution of the linear, elliptic pressure equation multigrid methods have become an accepted technique. On the other hand, the fully implicit method is unconditionally stable, but it has the disadvantage that in every time step a large system of nonlinear algebraic equations has to be solved. The most time-consuming part of any fully implicit reservoir simulator is the solution of this large system of equations. Usually this is done by Newton's method. The resulting systems of linear equations are then either solved by a direct method or by some conjugate gradient type method. In this paper we consider the possibility of applying multigrid methods for the iterative solution of the systems of nonlinear equations. There are two ways of using multigrid for this job: either we use a nonlinear multigrid method or we use a linear multigrid method to deal with the linear systems that arise in Newton's method. So far only a few authors have reported on the use of multigrid methods for fully implicit simulations. Two-level FAS algorithm is presented for the black-oil equations, and linear multigrid for

  14. Implementation and evaluation of the Level Set method: Towards efficient and accurate simulation of wet etching for microengineering applications

    NASA Astrophysics Data System (ADS)

    Montoliu, C.; Ferrando, N.; Gosálvez, M. A.; Cerdá, J.; Colom, R. J.

    2013-10-01

    The use of atomistic methods, such as the Continuous Cellular Automaton (CCA), is currently regarded as a computationally efficient and experimentally accurate approach for the simulation of anisotropic etching of various substrates in the manufacture of Micro-electro-mechanical Systems (MEMS). However, when the features of the chemical process are modified, a time-consuming calibration process needs to be used to transform the new macroscopic etch rates into a corresponding set of atomistic rates. Furthermore, changing the substrate requires a labor-intensive effort to reclassify most atomistic neighborhoods. In this context, the Level Set (LS) method provides an alternative approach where the macroscopic forces affecting the front evolution are directly applied at the discrete level, thus avoiding the need for reclassification and/or calibration. Correspondingly, we present a fully-operational Sparse Field Method (SFM) implementation of the LS approach, discussing in detail the algorithm and providing a thorough characterization of the computational cost and simulation accuracy, including a comparison to the performance by the most recent CCA model. We conclude that the SFM implementation achieves similar accuracy as the CCA method with less fluctuations in the etch front and requiring roughly 4 times less memory. Although SFM can be up to 2 times slower than CCA for the simulation of anisotropic etchants, it can also be up to 10 times faster than CCA for isotropic etchants. In addition, we present a parallel, GPU-based implementation (gSFM) and compare it to an optimized, multicore CPU version (cSFM), demonstrating that the SFM algorithm can be successfully parallelized and the simulation times consequently reduced, while keeping the accuracy of the simulations. Although modern multicore CPUs provide an acceptable option, the massively parallel architecture of modern GPUs is more suitable, as reflected by computational times for gSFM up to 7.4 times faster than

  15. Simulating the Cranfield geological carbon sequestration project with high-resolution static models and an accurate equation of state

    SciTech Connect

    Soltanian, Mohamad Reza; Amooie, Mohammad Amin; Cole, David R.; Graham, David E.; Hosseini, Seyyed Abolfazl; Hovorka, Susan; Pfiffner, Susan M.; Phelps, Tommy Joe; Moortgat, Joachim

    2016-10-11

    In this study, a field-scale carbon dioxide (CO2) injection pilot project was conducted as part of the Southeast Regional Sequestration Partnership (SECARB) at Cranfield, Mississippi. We present higher-order finite element simulations of the compositional two-phase CO2-brine flow and transport during the experiment. High- resolution static models of the formation geology in the Detailed Area Study (DAS) located below the oil- water contact (brine saturated) are used to capture the impact of connected flow paths on breakthrough times in two observation wells. Phase behavior is described by the cubic-plus-association (CPA) equation of state, which takes into account the polar nature of water molecules. Parameter studies are performed to investigate the importance of Fickian diffusion, permeability heterogeneity, relative permeabilities, and capillarity. Simulation results for the pressure response in the injection well and the CO2 breakthrough times at the observation wells show good agreement with the field data. For the high injection rates and short duration of the experiment, diffusion is relatively unimportant (high P clet numbers), while relative permeabilities have a profound impact on the pressure response. High-permeability pathways, created by fluvial deposits, strongly affect the CO2 transport and highlight the importance of properly characterizing the formation heterogeneity in future carbon sequestration projects.

  16. Simulating the Cranfield geological carbon sequestration project with high-resolution static models and an accurate equation of state

    DOE PAGES

    Soltanian, Mohamad Reza; Amooie, Mohammad Amin; Cole, David R.; ...

    2016-10-11

    In this study, a field-scale carbon dioxide (CO2) injection pilot project was conducted as part of the Southeast Regional Sequestration Partnership (SECARB) at Cranfield, Mississippi. We present higher-order finite element simulations of the compositional two-phase CO2-brine flow and transport during the experiment. High- resolution static models of the formation geology in the Detailed Area Study (DAS) located below the oil- water contact (brine saturated) are used to capture the impact of connected flow paths on breakthrough times in two observation wells. Phase behavior is described by the cubic-plus-association (CPA) equation of state, which takes into account the polar nature ofmore » water molecules. Parameter studies are performed to investigate the importance of Fickian diffusion, permeability heterogeneity, relative permeabilities, and capillarity. Simulation results for the pressure response in the injection well and the CO2 breakthrough times at the observation wells show good agreement with the field data. For the high injection rates and short duration of the experiment, diffusion is relatively unimportant (high P clet numbers), while relative permeabilities have a profound impact on the pressure response. High-permeability pathways, created by fluvial deposits, strongly affect the CO2 transport and highlight the importance of properly characterizing the formation heterogeneity in future carbon sequestration projects.« less

  17. Accurate optical simulation of nano-particle based internal scattering layers for light outcoupling from organic light emitting diodes

    NASA Astrophysics Data System (ADS)

    Egel, Amos; Gomard, Guillaume; Kettlitz, Siegfried W.; Lemmer, Uli

    2017-02-01

    We present a numerical strategy for the accurate simulation of light extraction from organic light emitting diodes (OLEDs) comprising an internal nano-particle based scattering layer. On the one hand, the light emission and propagation through the OLED thin film system (including the scattering layer) is treated by means of rigorous wave optics calculations using the T-matrix formalism. On the other hand, the propagation through the substrate is modeled in a ray optics approach. The results from the wave optics calculations enter in terms of the initial substrate radiation pattern and the bidirectional reflectivity distribution of the OLED stack with scattering layer. In order to correct for the truncation error due to a finite number of particles in the simulations, we extrapolate the results to infinitely extended scattering layers. As an application example, we estimate the optimal particle filling fraction for an internal scattering layer in a realistic OLED geometry. The presented treatment is designed to emerge from electromagnetic theory with as few additional assumptions as possible. It could thus serve as a baseline to validate faster but approximate simulation approaches.

  18. Evaluation of an Oil Spill Trajectory Model Using Satellite-tracked, Oil-Spill-Simulating Drifters

    DTIC Science & Technology

    2003-09-01

    remained on the ocean surface and ran predominantly downwind. Oil spills with higher wax and asphaltene content tend to persist on the sea surface as a...consolidated mass more than the oils with lower concentrations of wax and asphaltene . The drifters replicate the motion of oil spills persisting

  19. Accurate simulation of two-dimensional optical microcavities with uniquely solvable boundary integral equations and trigonometric Galerkin discretization.

    PubMed

    Boriskina, Svetlana V; Sewell, Phillip; Benson, Trevor M; Nosich, Alexander I

    2004-03-01

    A fast and accurate method is developed to compute the natural frequencies and scattering characteristics of arbitrary-shape two-dimensional dielectric resonators. The problem is formulated in terms of a uniquely solvable set of second-kind boundary integral equations and discretized by the Galerkin method with angular exponents as global test and trial functions. The log-singular term is extracted from one of the kernels, and closed-form expressions are derived for the main parts of all the integral operators. The resulting discrete scheme has a very high convergence rate. The method is used in the simulation of several optical microcavities for modern dense wavelength-division-multiplexed systems.

  20. An Accurate Simulation Of Thermoforming And Blow-Molding Processes Using The Space Fiber Rotation (SFR) Concept

    NASA Astrophysics Data System (ADS)

    Ghomari, T.; Ayad, R.; Talbi, N.

    2007-05-01

    This work deals with a non-linear formulation of an axisymmetric hyperelastic solid model for thermoforming and blow-molding processes. It's based on a new kinematic concept labeled SFR (Space Fiber Rotation). The SFR-Axi element model uses a kinematic motion of a space linear fiber in order to obtain more accurate displacement field, without increasing the number of nodes. It improves in a significant way the precision of the linear element Q4 indeed. The corresponding numerical results are comparable and even better, in term of time CPU, with those of the 8-nodes higher order element Q8. A hyperelastic behavior law based on Mooney-Rivlin model has been implemented to allow the model better simulations of forming processes hollow plastic bodies. The numerical results, very promising, are given with considering or not the contact between the polymer.

  1. Logrithmic current simulator generates electrical currents accurately between 10 to the minus 11 ampere to 10 to the minus 3 ampere

    NASA Technical Reports Server (NTRS)

    Wilson, J.

    1966-01-01

    Current generator accurately simulates electric currents in the range of 10 to the minus 11th power to 0.001 ampere. Compensation networks have been devised to improve the accuracy at the lower current levels.

  2. IT - OSRA: applying ensemble simulations to estimate the oil spill hazard associated to operational and accidental oil spills

    NASA Astrophysics Data System (ADS)

    Sepp Neves, Antonio Augusto; Pinardi, Nadia; martins, Flavio

    2016-04-01

    Every year, 270,000 tonnes of oil are estimated to be spilled in the ocean by vessel operations (e.g. tank washing, leakage of lubricants) and the so called operational spills are typically associated with small volumes and high occurrence rate. Vessel-related accidental spills (e.g. collisions, explosions) seldom occur and usually involve high volumes of oil, accounting for about 100,000 tonnes/year. The occurrence of accidental spills and their impacts have been well documented in the available literature. On the other hand, occurrence rates of operational spills and the effects they have on the marine and coastal environments remain very uncertain due to insufficient sampling effort and methodological limitations. Trying to foresee when and where an oil spill will occur in a certain area, its characteristics and impacts is, at present, impossible. Oil spill risk assessments (OSRAs) have been employed in several parts of the globe in order to deal with such uncertainties and protect the marine environment. In the present work, we computed the oil spill risk applying ensemble oil spill simulations following an ISO-31000 compliant OSRA methodology (Sepp Neves et al. , 2015). The ensemble experiment was carried out for the Algarve coast (southern Portugal) generating a unique data set of 51,200 numerical oil spill simulations covering the main sources of uncertainties (i.e. where and when the spill will happen and oil spill model configuration). From the generated data set, the risk due to accidental and operational spills was mapped for the Algarve municipalities based on the frequency and magnitude (i.e. concentrations) of beaching events and the main sources of risk were identified. The socioeconomic and environmental dimensions of the risk were treated separately. Seasonal changes in the risk index proposed due to the variability of meteo-oceanographic variables (i.e. currents and waves) were also quantified.

  3. Time Accurate Unsteady Simulation of the Stall Inception Process in the Compression System of a US Army Helicopter Gas Turbine Engine

    DTIC Science & Technology

    2004-06-01

    UNCLASSIFIED Defense Technical Information Center Compilation Part Notice ADP023843 TITLE: Time Accurate Unsteady Simulation of the Stall Inception...report: ADP023820 thru ADP023869 UNCLASSIFIED Time Accurate Unsteady Simulation of the Stall Inception Process in the Compression System of a US Army...surface ships, tanks, manned and Improved understanding of the stall inception process and unmanned fixed-wing and rotary-wing combat aircraft, how stall

  4. A scalable parallel black oil simulator on distributed memory parallel computers

    NASA Astrophysics Data System (ADS)

    Wang, Kun; Liu, Hui; Chen, Zhangxin

    2015-11-01

    This paper presents our work on developing a parallel black oil simulator for distributed memory computers based on our in-house parallel platform. The parallel simulator is designed to overcome the performance issues of common simulators that are implemented for personal computers and workstations. The finite difference method is applied to discretize the black oil model. In addition, some advanced techniques are employed to strengthen the robustness and parallel scalability of the simulator, including an inexact Newton method, matrix decoupling methods, and algebraic multigrid methods. A new multi-stage preconditioner is proposed to accelerate the solution of linear systems from the Newton methods. Numerical experiments show that our simulator is scalable and efficient, and is capable of simulating extremely large-scale black oil problems with tens of millions of grid blocks using thousands of MPI processes on parallel computers.

  5. Mathematical analysis and algorithms for efficiently and accurately implementing stochastic simulations of short-term synaptic depression and facilitation.

    PubMed

    McDonnell, Mark D; Mohan, Ashutosh; Stricker, Christian

    2013-01-01

    The release of neurotransmitter vesicles after arrival of a pre-synaptic action potential (AP) at cortical synapses is known to be a stochastic process, as is the availability of vesicles for release. These processes are known to also depend on the recent history of AP arrivals, and this can be described in terms of time-varying probabilities of vesicle release. Mathematical models of such synaptic dynamics frequently are based only on the mean number of vesicles released by each pre-synaptic AP, since if it is assumed there are sufficiently many vesicle sites, then variance is small. However, it has been shown recently that variance across sites can be significant for neuron and network dynamics, and this suggests the potential importance of studying short-term plasticity using simulations that do generate trial-to-trial variability. Therefore, in this paper we study several well-known conceptual models for stochastic availability and release. We state explicitly the random variables that these models describe and propose efficient algorithms for accurately implementing stochastic simulations of these random variables in software or hardware. Our results are complemented by mathematical analysis and statement of pseudo-code algorithms.

  6. Models, Simulators, and Data-driven Resources for Oil and Natural Gas Research

    DOE Data Explorer

    NETL provides a number of analytical tools to assist in conducting oil and natural gas research. Software, developed under various DOE/NETL projects, includes numerical simulators, analytical models, databases, and documentation.[copied from http://www.netl.doe.gov/technologies/oil-gas/Software/Software_main.html] Links lead users to methane hydrates models, preedictive models, simulators, databases, and other software tools or resources.

  7. Simulation of fluid distributions observed at a crude oil spill site incorporating hysteresis, oil entrapment, and spatial variability of hydraulic properties

    USGS Publications Warehouse

    Essaid, H.I.; Herkelrath, W.N.; Hess, K.M.

    1993-01-01

    Subsurface oil, water, and air saturation distributions were determined using 146 samples collected from seven boreholes along a 120-m transect at a crude oil spill site near Bemidji, Minnesota. The field data, collected 10 years after the spill, show a clearly defined oil body that has an oil saturation distribution that appears to be influenced by sediment heterogeneities and water table fluctuations. The center of the oil body has depressed the water-saturated zone boundary and the oil appears to have migrated laterally within the capillary fringe. A multiphase cross-sectional flow model was developed and used to simulate the movement of oil and water at the spill site. Comparisons between observed and simulated oil saturation distributions serve as an indicator of the appropriateness of using such models to predict the actual spread of organic immiscible liquids at spill sites. Sediment hydraulic properties used in the model were estimated from particle size data. The general large-scale features of the observed oil body were reproduced only when hysteresis with oil entrapment and representations of observed spatial variability of hydraulic properties were incorporated into the model. The small-scale details of the observed subsurface oil distribution were not reproduced in the simulations. The discrepancy between observed and simulated oil distributions reflects the considerable uncertainty in model parameter estimates and boundary conditions, three-phase capillary pressure-saturation-relative permeability functions, representations of spatial variability of hydraulic properties, and hydrodynamics of the groundwater flow system at the study site.

  8. Development of a compositional model fully coupled with geomechanics and its application to tight oil reservoir simulation

    NASA Astrophysics Data System (ADS)

    Xiong, Yi

    solutions and results of a commercial simulator before conducting numerical studies. The numerical studies demonstrate the effect of capillary pressure on VLE, and further on production performance. The significant effect of capillary pressure on VLE leads to the suppression of bubble-point pressure and more light components dissolved in the oil phase. Consequently it is observed that there is smaller gas saturation, larger mole fractions of light components, and faster pressure decreasing at reservoir conditions; meanwhile less gas and more oil are produced at surface. The substantial decrease in reservoir pore pressure results in a large increase of effective stress, which induces the changes of rock properties and influences the production performance. The stress-induced degradation of permeability undermines the production performance, and the geomechanical effect on the permeability of natural fractures is mainly responsible for the undermined production performance. The reduction of pore size due to the geomechanical effect could increase the capillary pressure, which enlarges the influence of capillarity on VLE and further suppresses bubble-point pressure. On the other hand, the effect of capillary pressure on VLE influences the fluid flow and therefore influences the effective stress through the flow-stress coupling process. Thus the interaction between pore confinement and rock compaction can be modeled with MSFLOW_COM, and illustrated through numerical studies. This research provides a three-dimensional numerical tool for accurately modeling porous and fractured tight oil reservoirs. The developed simulator is able to assist scientists and engineers to study and understand the complex multiphase, multi-component fluid flow behaviors in tight oil reservoirs.

  9. Underwater Oil Plume Intrusion from Deepwater Blowouts - A Large-Eddy Simulation Study

    NASA Astrophysics Data System (ADS)

    Yang, D.; Chen, B.; Chamecki, M.; Meneveau, C. V.

    2015-12-01

    The interaction of buoyancy-driven hydrocarbon plumes with the stably stratified deep-ocean environment plays a crucial role in the formation of underwater oil intrusions. As gas bubbles and oil droplets are released from an underwater oil well blowout, they induce a strong buoyancy flux that lifts entrained sea water to form an upward plume. Towards higher elevations, the stratification-induced negative buoyancy increases and eventually exceeds the gas/oil-induced buoyancy, causing the plume to decelerate and a large fraction of entrained sea water to peel off from the rising plume to form a fountain-like downward outer plume. During this peeling process, weakly buoyant particles (e.g. small oil droplets) are trapped and fall together with the detrained fluid, and then migrate horizontally at the equilibrium buoyancy depth, forming underwater oil intrusion layers. In this study, the complex plume dynamics and oil intrusion are studied using a large-eddy simulation (LES) model. The LES model captures the essential characteristics of the plume structure and the peeling/intrusion processes, and yields good agreement with prior laboratory experiments. Applying to the Deepwater Horizon oil well blowout condition, the LES model shows considerable underwater trapping and intrusion of oil droplets under various conditions, with the trapping rate significantly affected by the diameter of the oil droplet. This study is supported by Gulf of Mexico Research Initiative RFP-II research grant.

  10. Oil spills and AI: How to manage resources through simulation

    SciTech Connect

    Giribone, P.; Bruzzone, A.G.; Caddeo, S.

    1995-12-31

    Today, in the Mediterranean theater of the Upper Tyrrhenian, the ecological risk involving oil installations is still quite high. This is due to the fact that valuable environmental and tourist areas exist together with large industrial and port structures; in particular, recent events have demonstrated the danger involving oil spills along the Ligurian coastline. This study proposes an approach to plan the operations that should be performed when accidents occur, based on the use of AI techniques.

  11. Accurate Analysis and Evaluation of Acidic Plant Growth Regulators in Transgenic and Nontransgenic Edible Oils with Facile Microwave-Assisted Extraction-Derivatization.

    PubMed

    Liu, Mengge; Chen, Guang; Guo, Hailong; Fan, Baolei; Liu, Jianjun; Fu, Qiang; Li, Xiu; Lu, Xiaomin; Zhao, Xianen; Li, Guoliang; Sun, Zhiwei; Xia, Lian; Zhu, Shuyun; Yang, Daoshan; Cao, Ziping; Wang, Hua; Suo, Yourui; You, Jinmao

    2015-09-16

    Determination of plant growth regulators (PGRs) in a signal transduction system (STS) is significant for transgenic food safety, but may be challenged by poor accuracy and analyte instability. In this work, a microwave-assisted extraction-derivatization (MAED) method is developed for six acidic PGRs in oil samples, allowing an efficient (<1.5 h) and facile (one step) pretreatment. Accuracies are greatly improved, particularly for gibberellin A3 (-2.72 to -0.65%) as compared with those reported (-22 to -2%). Excellent selectivity and quite low detection limits (0.37-1.36 ng mL(-1)) are enabled by fluorescence detection-mass spectrum monitoring. Results show the significant differences in acidic PGRs between transgenic and nontransgenic oils, particularly 1-naphthaleneacetic acid (1-NAA), implying the PGRs induced variations of components and genes. This study provides, for the first time, an accurate and efficient determination for labile PGRs involved in STS and a promising concept for objectively evaluating the safety of transgenic foods.

  12. Accurate path integral molecular dynamics simulation of ab-initio water at near-zero added cost

    NASA Astrophysics Data System (ADS)

    Elton, Daniel; Fritz, Michelle; Soler, José; Fernandez-Serra, Marivi

    It is now established that nuclear quantum motion plays an important role in determining water's structure and dynamics. These effects are important to consider when evaluating DFT functionals and attempting to develop better ones for water. The standard way of treating nuclear quantum effects, path integral molecular dynamics (PIMD), multiplies the number of energy/force calculations by the number of beads, which is typically 32. Here we introduce a method whereby PIMD can be incorporated into a DFT molecular dynamics simulation at virtually zero cost. The method is based on the cluster (many body) expansion of the energy. We first subtract the DFT monomer energies, using a custom DFT-based monomer potential energy surface. The evolution of the PIMD beads is then performed using only the more-accurate Partridge-Schwenke monomer energy surface. The DFT calculations are done using the centroid positions. Various bead thermostats can be employed to speed up the sampling of the quantum ensemble. The method bears some resemblance to multiple timestep algorithms and other schemes used to speed up PIMD with classical force fields. We show that our method correctly captures some of key effects of nuclear quantum motion on both the structure and dynamics of water. We acknowledge support from DOE Award No. DE-FG02-09ER16052 (D.E.) and DOE Early Career Award No. DE-SC0003871 (M.V.F.S.).

  13. Time-accurate unsteady flow simulations supporting the SRM T+68-second pressure spike anomaly investigation (STS-54B)

    NASA Astrophysics Data System (ADS)

    Dougherty, N. S.; Burnette, D. W.; Holt, J. B.; Matienzo, Jose

    1993-07-01

    Time-accurate unsteady flow simulations are being performed supporting the SRM T+68sec pressure 'spike' anomaly investigation. The anomaly occurred in the RH SRM during the STS-54 flight (STS-54B) but not in the LH SRM (STS-54A) causing a momentary thrust mismatch approaching the allowable limit at that time into the flight. Full-motor internal flow simulations using the USA-2D axisymmetric code are in progress for the nominal propellant burn-back geometry and flow conditions at T+68-sec--Pc = 630 psi, gamma = 1.1381, T(sub c) = 6200 R, perfect gas without aluminum particulate. In a cooperative effort with other investigation team members, CFD-derived pressure loading on the NBR and castable inhibitors was used iteratively to obtain nominal deformed geometry of each inhibitor, and the deformed (bent back) inhibitor geometry was entered into this model. Deformed geometry was computed using structural finite-element models. A solution for the unsteady flow has been obtained for the nominal flow conditions (existing prior to the occurrence of the anomaly) showing sustained standing pressure oscillations at nominally 14.5 Hz in the motor IL acoustic mode that flight and static test data confirm to be normally present at this time. Average mass flow discharged from the nozzle was confirmed to be the nominal expected (9550 lbm/sec). The local inlet boundary condition is being perturbed at the location of the presumed reconstructed anomaly as identified by interior ballistics performance specialist team members. A time variation in local mass flow is used to simulate sudden increase in burning area due to localized propellant grain cracks. The solution will proceed to develop a pressure rise (proportional to total mass flow rate change squared). The volume-filling time constant (equivalent to 0.5 Hz) comes into play in shaping the rise rate of the developing pressure 'spike' as it propagates at the speed of sound in both directions to the motor head end and nozzle. The

  14. IT-OSRA: applying ensemble simulations to estimate the oil spill risk associated to operational and accidental oil spills

    NASA Astrophysics Data System (ADS)

    Sepp Neves, Antonio Augusto; Pinardi, Nadia; Martins, Flavio

    2016-08-01

    Oil Spill Risk Assessments (OSRAs) are widely employed to support decision making regarding oil spill risks. This article adapts the ISO-compliant OSRA framework developed by Sepp Neves et al. (J Environ Manag 159:158-168, 2015) to estimate risks in a complex scenario where uncertainties related to the meteo-oceanographic conditions, where and how a spill could happen exist and the risk computation methodology is not yet well established (ensemble oil spill modeling). The improved method was applied to the Algarve coast, Portugal. Over 50,000 simulations were performed in 2 ensemble experiments to estimate the risks due to operational and accidental spill scenarios associated with maritime traffic. The level of risk was found to be important for both types of scenarios, with significant seasonal variations due to the the currents and waves variability. Higher frequency variability in the meteo-oceanographic variables were also found to contribute to the level of risk. The ensemble results show that the distribution of oil concentrations found on the coast is not Gaussian, opening up new fields of research on how to deal with oil spill risks and related uncertainties.

  15. Experiments and simulations of oil-water flows in horizontal pipes

    NASA Astrophysics Data System (ADS)

    Ibarra-Hernandes, Roberto; Wright, Stuart; Xie, Zhihua; Markides, Christos; Matar, Omar

    2016-11-01

    The extraction of detailed information (e.g. velocity and turbulent data) in the flow of two immiscible liquid phases in horizontal pipes is of great importance for the fundamental understanding of the in situ hydrodynamics (and transport properties) of these flows, and the validation and improvement of advanced multiphase flow models. This detailed flow information can be obtained by the application of advanced laser-based diagnostic techniques, such as Planar Laser-Induced Fluorescence (PLIF) and Particle Image Velocimetry (PIV), however, the difference in the refractive index between the most relevant test fluids (oil, water) prevents the extraction of accurate information simultaneously in both phases, especially when the phases begin to develop interfacial instabilities, droplets and dispersions. In this work, a simultaneous, combined two-line technique is employed to obtain spatiotemporally resolved information in a 32 mm ID quartz pipe in terms of liquid phase distributions, velocity profiles and turbulence measurements. The experimental results are compared with numerical simulations carried out using the Fluidity code based on control-volume, finite-elements, and adaptive, unstructured meshing. Funding from BP (for R-IH), Cameron (for SW), and the EPSRC UK through the MEMPHIS programme (Grant Number EP/K0039761/1) is gratefully acknowledged.

  16. Experimental determination of methane dissolution from simulated subsurface oil leakages

    NASA Astrophysics Data System (ADS)

    Sauthoff, W.; Peltzer, E. T.; Walz, P. M.; Brewer, P. G.

    2013-12-01

    Subsurface oil leakages and increased offshore drilling efforts have raised concern over the fate of hydrocarbon mixtures of oil and gas in ocean environments. Recent wellhead and pipeline failures in the Gulf of Mexico are extreme examples of this problem. Understanding the mechanism and rate of vertical transport of hydrocarbon chemical species is necessary to predict the environmental impact of subsurface leakages. In a series of controlled experiments, we carried out a deep-sea field experiment in Monterey Canyon to investigate the behavior of a gas-saturated liquid hydrocarbon mass rising from the seafloor. Aboard the R/V Rachel Carson, we used the ROV Ventana to transport a laboratory prepared volume of decane (C10H22) saturated with methane gas (CH4) to mimic a subsurface seafloor discharge. We released the oil and gas mixture into a vertically oriented open bottom glass tube followed by methane loss rate measurements both at discrete depths, and during rapid, continuous vehicle ascent from 800 to 100 m water depth to monitor changes in dissolution and bubble nucleation. Using laser Raman techniques and HD video we quantified the chemical state of the hydrocarbon fluid, including rate of methane gas dissolution. The primary methane Raman peak was readily observable within the decane C-H stretching complex. Variation in the amount of gas dissolved in the oil greatly influences oil plume density and in turn oil plume vertical rise rate. Our results show that the rise rate of the hydrocarbon mass significantly exceeds the rate at which the excess methane was lost by dissolution. This result implies that vertical transport of methane in the saturated hydrocarbon liquid phase can greatly exceed a gas bubble plume ascending the water column from a seafloor source. These results and observations may be applicable to improved understanding of the composition, distribution, and environmental fate of leaked hydrocarbon mixtures and inform remediation efforts.

  17. Olive oil adulterated with hazelnut oils: simulation to identify possible risks to allergic consumers.

    PubMed

    Arlorio, M; Coisson, J D; Bordiga, M; Travaglia, F; Garino, C; Zuidmeer, L; Van Ree, R; Giuffrida, M G; Conti, A; Martelli, A

    2010-01-01

    According to European Union Regulation EC 1531/2001, olive oil labelled as "extra-virgin" should be cold-pressed and contain no refined oil or oil from other oleaginous seeds or nuts. Adulteration of extra virgin olive oil (EVOO) with hazelnut oil (HAO) is a serious concern both for oil suppliers and consumers. The high degree of similarity between the two fats complicates the detection of low percentages of HAO in EVOO. Many analytical approaches have been developed in recent years to trace HAO in EVOO, principally based on chromatographic analyses, differential scanning calorimetry or nuclear magnetic resonance. In addition adulteration of EVOO with HAO may introduce hazelnut-derived allergens. The aim of this work was to analyse the protein and allergen content of EVOO intentionally spiked with raw cold-pressed HAO or solvent-extracted HAO. SDS-PAGE analysis confirmed the presence of hazelnut proteins in solvent-extracted HAO with molecular masses ranging 10-60 kDa. In contrast, cold-pressed HAO showed no traces of protein. In spiked EVOO, solvent-extracted HAO was still detectable at a 1% contamination level. Several bands on SDS-PAGE migrated at apparent molecular masses coinciding with known allergens, such as Cor a 1 (approximately 17 kDa), Cor a 2 (approximately 14 kDa), Cor a 8 (approximately 12 kDa), oleosin (approximately 17 kDa) and Cor a 9 (approximately 60 kDa). MALDI-TOF MS analysis confirmed the presence of two oleosin isoforms and of Cor a 9. Immunoblotting demonstrated that an allergic patient with known reactivity to Cor a 1 and Cor a 2 recognized a 17-kDa band in solvent-extracted HAO. In conclusion, we have shown that adulteration of extra virgin olive oil with solvent-extracted hazelnut oil can be traced by simple SDS-PAGE analysis, and that adulteration introduces a potential risk for hazelnut allergic patients.

  18. Computer simulation of the probability that endangered whales will interact with oil spills

    SciTech Connect

    Reed, M.; Jayko, K.; Bowles, A.; Anderson, E.; Leatherwood, S.

    1987-03-01

    A numerical model system was developed to assess quantitatively the probability that endangered bowhead and gray whales will encounter spilled oil in Alaskan waters. Bowhead and gray whale migration and diving-surfacing models, and an oil-spill trajectory model comprise the system. The migration models were developed from conceptual considerations, then calibrated with and tested against observations. The movement of a whale point is governed by a random walk algorithm which stochastically follows a migratory pathway. The oil-spill model, developed under a series of other contracts, accounts for transport and spreading behavior in open water and in the presence of sea ice. Historical wind records and heavy, normal, or light ice cover data sets are selected at random to provide stochastic oil-spill scenarios for whale-oil interaction simulations.

  19. Characterization of emissions and residues from simulations of the Deepwater Horizon surface oil burns.

    PubMed

    Gullett, Brian K; Aurell, Johanna; Holder, Amara; Mitchell, William; Greenwell, Dale; Hays, Michael; Conmy, Robyn; Tabor, Dennis; Preston, William; George, Ingrid; Abrahamson, Joseph P; Vander Wal, Randy; Holder, Edith

    2017-04-15

    The surface oil burns conducted by the U.S. Coast Guard from April to July 2010 during the Deepwater Horizon disaster in the Gulf of Mexico were simulated by small scale burns to characterize the pollutants, determine emission factors, and gather particulate matter for subsequent toxicity testing. A representative crude oil was burned in ocean-salinity seawater, and emissions were collected from the plume by means of a crane-suspended sampling platform. Emissions included particulate matter, aromatic hydrocarbons, polychlorinated dibenzodioxins/dibenzofurans, elements, and others, the sum of which accounted for over 92% by mass of the combustion products. The unburned oil mass was 29% of the original crude oil mass, significantly higher than typically reported. Analysis of alkanes, elements, and PAHs in the floating residual oil and water accounted for over 51% of the gathered mass. These emission factors, along with toxicity data, will be important toward examining impacts of future spill burning operations.

  20. Accurate prediction of unsteady and time-averaged pressure loads using a hybrid Reynolds-Averaged/large-eddy simulation technique

    NASA Astrophysics Data System (ADS)

    Bozinoski, Radoslav

    Significant research has been performed over the last several years on understanding the unsteady aerodynamics of various fluid flows. Much of this work has focused on quantifying the unsteady, three-dimensional flow field effects which have proven vital to the accurate prediction of many fluid and aerodynamic problems. Up until recently, engineers have predominantly relied on steady-state simulations to analyze the inherently three-dimensional ow structures that are prevalent in many of today's "real-world" problems. Increases in computational capacity and the development of efficient numerical methods can change this and allow for the solution of the unsteady Reynolds-Averaged Navier-Stokes (RANS) equations for practical three-dimensional aerodynamic applications. An integral part of this capability has been the performance and accuracy of the turbulence models coupled with advanced parallel computing techniques. This report begins with a brief literature survey of the role fully three-dimensional, unsteady, Navier-Stokes solvers have on the current state of numerical analysis. Next, the process of creating a baseline three-dimensional Multi-Block FLOw procedure called MBFLO3 is presented. Solutions for an inviscid circular arc bump, laminar at plate, laminar cylinder, and turbulent at plate are then presented. Results show good agreement with available experimental, numerical, and theoretical data. Scalability data for the parallel version of MBFLO3 is presented and shows efficiencies of 90% and higher for processes of no less than 100,000 computational grid points. Next, the description and implementation techniques used for several turbulence models are presented. Following the successful implementation of the URANS and DES procedures, the validation data for separated, non-reattaching flows over a NACA 0012 airfoil, wall-mounted hump, and a wing-body junction geometry are presented. Results for the NACA 0012 showed significant improvement in flow predictions

  1. A streamline splitting pore-network approach for computationally inexpensive and accurate simulation of transport in porous media

    SciTech Connect

    Mehmani, Yashar; Oostrom, Martinus; Balhoff, Matthew

    2014-03-20

    Several approaches have been developed in the literature for solving flow and transport at the pore-scale. Some authors use a direct modeling approach where the fundamental flow and transport equations are solved on the actual pore-space geometry. Such direct modeling, while very accurate, comes at a great computational cost. Network models are computationally more efficient because the pore-space morphology is approximated. Typically, a mixed cell method (MCM) is employed for solving the flow and transport system which assumes pore-level perfect mixing. This assumption is invalid at moderate to high Peclet regimes. In this work, a novel Eulerian perspective on modeling flow and transport at the pore-scale is developed. The new streamline splitting method (SSM) allows for circumventing the pore-level perfect mixing assumption, while maintaining the computational efficiency of pore-network models. SSM was verified with direct simulations and excellent matches were obtained against micromodel experiments across a wide range of pore-structure and fluid-flow parameters. The increase in the computational cost from MCM to SSM is shown to be minimal, while the accuracy of SSM is much higher than that of MCM and comparable to direct modeling approaches. Therefore, SSM can be regarded as an appropriate balance between incorporating detailed physics and controlling computational cost. The truly predictive capability of the model allows for the study of pore-level interactions of fluid flow and transport in different porous materials. In this paper, we apply SSM and MCM to study the effects of pore-level mixing on transverse dispersion in 3D disordered granular media.

  2. Recent advances in the practical and accurate calculation of core and valence XPS spectra of polymers: From interpretation to simulation?

    NASA Astrophysics Data System (ADS)

    Bureau, Christophe; Chong, Delano P.; Endo, Kazunaka; Delhalle, Joseph; Lecayon, Gérard; Le Moël, Alain

    1997-08-01

    Core and valence X-ray Photoelectron Spectroscopies (XPS) are routinely used to obtain information on the chemical composition, bonding and homogeneity of polymer surfaces. In spite of their apparent conceptual simplicity, Core and Valence Electron Binding Energies (CEBEs and VEBEs) a few electron-volts (eV) or fractions of an eV apart are difficult to interpret. We present some results obtained with various recent theoretical approaches. An emphasis is made on a procedure based on the Density Functional Theory (DFT) that enables the calculation of CEBEs and VEBEs which are in remarkable agreement with experiment. The method has been tested on numerous small (3-6 atoms) to fairly large (15-25 atoms) molecules, and shows an average absolute deviation with experiment of only 0.20 eV for CEBEs and 0.30 eV for VEBEs, i.e. compatible with the resolution of the best XPS experiments carried out at the moment. Besides the quality of its predictions, the procedure takes advantage of the speed and CPU time scaling of DFT as a function of system size: it is computationally tractable, even for surprisingly large systems such as polymers, and may be an interesting accurate alternative to interpret and simulate XPS-probing on real systems. We illustrate the usefullness and pitfalls of this approach in fundamental as well as applied fields such as in the study of Polyacrylonitrile (PAN), Polytetrafluoroethylene (PTFE), Polyvinyldifluoride (PVdF) and γ-Aminopropyltriethoxysilane (γ-APS, an adhesion promoter).

  3. Simulation of Oil Slick Transport in Great Lakes Connecting Channels. Theory and Model Formulation

    DTIC Science & Technology

    1990-02-01

    spilled under rough ice. In Proceedings of the 1981 Oil Spill Conference. American Petroleum Institute , Washington, D.C., p. 203-208. DePietro, N.D. and... American Petroleum Institute , Envi- ronmental Protection Agency and U.S. Coast Guard. Washington, D.C.: American Petroleum Insti- tute, p. 463-467. 27...Monastero (1982) Review of the state-of-the-art of oil spill simulation models. Final Report submitted to the American Petroleum Institute . Hunter, J.R

  4. Simulation of Oil Slick Transport in Great Lakes Connecting Channels. Volume 1. Theory and Model Formulation

    DTIC Science & Technology

    1986-03-01

    Under Rough Ice," Proceedings of the 1981 Oil Spill Conference, American Petroleum Institute , Washington, D.C.,3 pp. 203-208. DiPietro, N.D. and R.G. Cox...Models," Proceedings of the 1983 Oil Spill Conference, American Petroleum Institute , Washington, D.C., pp. 313-322. Huang, J.C. and Monastero, F.C...1982). "Review of the State-of-the-Art of Oil Spill Simulation Models," Final Report submitted to the American Petroleum Institute . Hunter, J.R., (1980

  5. Modeling Fog Oil Obscurant Smoke Penetration into Simulated Tortoise Burrows

    DTIC Science & Technology

    2006-11-01

    requested by a petition in January 2006 (Save Our Big Scrub, Inc. and Wild South 2006 ). At least 18 military bases are known to have gopher tortoises...Wilson et al . 1997). Among the training activities that occur in or near the gopher tortoise habitat is troop preparedness training and the field...dispersion characteristics, and safety (Eberhard et al . 1989). SGF-2 fog oil (FO) is the obscurant used most frequently for military training

  6. Simulating oil droplet dispersal from the Deepwater Horizon spill with a Lagrangian approach

    USGS Publications Warehouse

    North, Elizabeth W.; Schlag, Zachary; Adams, E. Eric; Sherwood, Christopher R.; He, Ruoying; Hyun, Hoon; Socolofsky, Scott A.

    2011-01-01

    An analytical multiphase plume model, combined with time-varying flow and hydrographic fields generated by the 3-D South Atlantic Bight and Gulf of Mexico model (SABGOM) hydrodynamic model, were used as input to a Lagrangian transport model (LTRANS), to simulate transport of oil droplets dispersed at depth from the recent Deepwater Horizon MC 252 oil spill. The plume model predicts a stratification-dominated near field, in which small oil droplets detrain from the central plume containing faster rising large oil droplets and gas bubbles and become trapped by density stratification. Simulated intrusion (trap) heights of ∼ 310–370 m agree well with the midrange of conductivity-temperature-depth observations, though the simulated variation in trap height was lower than observed, presumably in part due to unresolved variability in source composition (percentage oil versus gas) and location (multiple leaks during first half of spill). Simulated droplet trajectories by the SABGOM-LTRANS modeling system showed that droplets with diameters between 10 and 50 μm formed a distinct subsurface plume, which was transported horizontally and remained in the subsurface for >1 month. In contrast, droplets with diameters ≥90 μm rose rapidly to the surface. Simulated trajectories of droplets ≤50 μm in diameter were found to be consistent with field observations of a southwest-tending subsurface plume in late June 2010 reported by Camilli et al. [2010]. Model results suggest that the subsurface plume looped around to the east, with potential subsurface oil transport to the northeast and southeast. Ongoing work is focusing on adding degradation processes to the model to constrain droplet dispersal.

  7. Chamber studies to simulate secondary organic aerosol formation from the Deepwater Horizon oil spill

    NASA Astrophysics Data System (ADS)

    Daumit, K. E.; Carrasquillo, A. J.; Cross, E. S.; Hunter, J. F.; Bahreini, R.; Middlebrook, A. M.; De Gouw, J. A.; Williams, L. R.; Worsnop, D. R.; Kroll, J. H.

    2011-12-01

    Because atmospheric organic species are generally emitted from a large number of sources, over wide spatial and temporal scales, it is generally challenging to ascribe ambient organic aerosol (OA) to the oxidation of specific secondary organic aerosol (SOA) precursors. However, the Deepwater Horizon (DWH) oil spill (April 20-July 15, 2010), provided the unique circumstance of a large, well-defined source of gas-phase organics introduced into a relatively clean atmosphere. Here we describe a laboratory simulation of SOA formation downwind of the DWH spill, via the oxidation of South Louisiana-light (SL) crude oil by OH radicals in an environmental chamber. Intermediate and semi-volatile fractions of the SL crude oil are vaporized and oxidized by gas-phase OH radicals (formed from the photolysis of HONO). The chemical composition is monitored as a function of OH exposure. When OH exposures are approximately matched, laboratory-generated SOA and OA measured downwind of the oil spill exhibit extremely similar aerosol mass spectra, in strong support of the hypothesis that the OA measured downwind of the DWH oil spill was secondary in nature. More generally, this agreement indicates that in cases when SOA precursors are well-constrained, chamber experiments can reasonably reproduce key properties of ambient OA. Results of chamber studies on sub-fractions of the SL crude oil, aimed at identifying the classes of oil components most responsible for SOA formation, will be discussed.

  8. A framework to quantify uncertainty in simulations of oil transport in the ocean

    NASA Astrophysics Data System (ADS)

    Gonçalves, Rafael C.; Iskandarani, Mohamed; Srinivasan, Ashwanth; Thacker, W. Carlisle; Chassignet, Eric; Knio, Omar M.

    2016-04-01

    An uncertainty quantification framework is developed for the DeepC Oil Model based on a nonintrusive polynomial chaos method. This allows the model's output to be presented in a probabilistic framework so that the model's predictions reflect the uncertainty in the model's input data. The new capability is illustrated by simulating the far-field dispersal of oil in a Deepwater Horizon blowout scenario. The uncertain input consisted of ocean current and oil droplet size data and the main model output analyzed is the ensuing oil concentration in the Gulf of Mexico. A 1331 member ensemble was used to construct a surrogate for the model which was then mined for statistical information. The mean and standard deviations in the oil concentration were calculated for up to 30 days, and the total contribution of each input parameter to the model's uncertainty was quantified at different depths. Also, probability density functions of oil concentration were constructed by sampling the surrogate and used to elaborate probabilistic hazard maps of oil impact. The performance of the surrogate was constantly monitored in order to demarcate the space-time zones where its estimates are reliable.

  9. Oil and air dispersion in a simulated fermentation broth as a function of mycelial morphology.

    PubMed

    Lucatero, Savidra; Larralde-Corona, Claudia Patricia; Corkidi, Gabriel; Galindo, Enrique

    2003-01-01

    The culture conditions of a multiphase fermentation involving morphologically complex mycelia were simulated in order to investigate the influence of mycelial morphology (Trichoderma harzianum) on castor oil and air dispersion. Measurements of oil drops and air bubbles were obtained using an image analysis system coupled to a mixing tank. Complex interactions of the phases involved could be clearly observed. The Sauter diameter and the size distributions of drops and bubbles were affected by the morphological type of biomass (pellets or dispersed mycelia) added to the system. Larger oil drop sizes were obtained with dispersed mycelia than with pellets, as a result of the high apparent viscosity of the broth, which caused a drop in the power drawn, reducing oil drop break-up. Unexpectedly, bubble sizes observed with dispersed mycelia were smaller than with pellets, a phenomenon which can be explained by the segregation occurring at high biomass concentrations with the dispersed mycelia. Very complex oil drops were produced, containing air bubbles and a high number of structures likely consisting of small water droplets. Bubble location was influenced by biomass morphology. The percentage (in volume) of oil-trapped bubbles increased (from 32 to 80%) as dispersed mycelia concentration increased. A practically constant (32%) percentage of oil-trapped bubbles was observed with pelleted morphology at all biomass concentrations. The results evidenced the high complexity of phases interactions and the importance of mycelial morphology in such processes.

  10. Numerical simulation and structural optimization of the inclined oil/water separator.

    PubMed

    Chen, Liqiong; Wu, Shijuan; Lu, Hongfang; Huang, Kun; Zhao, Lijie

    2015-01-01

    Improving the separation efficiency of the inclined oil/water separator, a new type of gravity separation equipment, is of great importance. In order to obtain a comprehensive understanding of the internal flow field of the separation process of oil and water within this separator, a numerical simulation based on Euler multiphase flow analysis and the realizable k-ε two equation turbulence model was executed using Fluent software. The optimal value ranges of the separator's various structural parameters used in the numerical simulation were selected through orthogonal array experiments. A field experiment on the separator was conducted with optimized structural parameters in order to validate the reliability of the numerical simulation results. The research results indicated that the horizontal position of the dispenser, the hole number, and the diameter had significant effects on the oil/water separation efficiency, and that the longitudinal position of the dispenser and the position of the weir plate had insignificant effects on the oil/water separation efficiency. The optimal structural parameters obtained through the orthogonal array experiments resulted in an oil/water separation efficiency of up to 95%, which was 4.996% greater than that realized by the original structural parameters.

  11. Evaluation of linear solvers for oil reservoir simulation problems. Part 2: The fully implicit case

    SciTech Connect

    Joubert, W.; Janardhan, R.

    1997-12-01

    A previous paper [Joubert/Biswas 1997] contained investigations of linear solver performance for matrices arising from Amoco`s Falcon parallel oil reservoir simulation code using the IMPES formulation (implicit pressure, explicit saturation). In this companion paper, similar issues are explored for linear solvers applied to matrices arising from more difficult fully implicit problems. The results of numerical experiments are given.

  12. Effect of a simulated oil spill on natural assemblages of marine phytoplankton enclosed in microcosms

    NASA Astrophysics Data System (ADS)

    González, J.; Figueiras, F. G.; Aranguren-Gassis, M.; Crespo, B. G.; Fernández, E.; Morán, X. A. G.; Nieto-Cid, M.

    2009-07-01

    Two microcosm experiments were carried out to simulate the effect of sporadic oil spills derived from tanker accidents on oceanic and coastal marine phytoplankton assemblages. Treatments were designed to reproduce the spill from the Prestige, which took place in Galician coastal waters (NW Iberia) in November 2002. Two different concentrations of the water soluble fraction of oil were used: low (8.6 ± 0.7 μg l -1 of chrysene equivalents) and high (23 ± 5 μg l -1 of chrysene equivalents l -1). Photosynthetic activity and chlorophyll a concentration decreased in both assemblages after 24-72 h of exposure to the two oil concentrations, even though the effect was more severe on the oceanic assemblage. These variables progressively recovered up to values close or higher than those in the controls, but the short-term negative effect of oil, which was generally stronger at the high concentration, also induced changes in the structure of the plankton community. While the biomass of nanoflagellates increased in both assemblages, oceanic picophytoplankton was drastically reduced by the addition of oil. Effects on diatoms were also observed, particularly in the coastal assemblage. The response of coastal diatoms to oil addition showed a clear dependence on size. Small diatoms (<20 μm) were apparently stimulated by oil, whereas diatoms >20 μm were only negatively affected by the high oil concentration. These differences, which could be partially due to indirect trophic interactions, might also be related to different sensitivity of species to PAHs. These results, in agreement with previous observations, additionally show that the negative effect of the water soluble fraction of oil on oceanic phytoplankton was stronger than on coastal phytoplankton.

  13. Molecular dynamic simulation of asphaltene co-aggregation with humic acid during oil spill.

    PubMed

    Zhu, Xinzhe; Chen, Daoyi; Wu, Guozhong

    2015-11-01

    Humic acid in water and sediment plays a key role in the fate and transport of the spilled oil, but little is known about its influence on the aggregation of heavy oil asphaltenes which is adverse for remediation. Molecular dynamic simulation was performed to characterize the co-aggregation of asphaltenes (continental model and Violanthrone-79 model) with Leonardite humic acid (LHA) at the toluene-water interface and in bulk water, respectively, to simulate the transport of asphaltenes from oil to water. At the toluene-water interface, a LHA layer tended to form and bind to the water by hydrogen bonding which provided a surface for the accumulation of asphaltenes by parallel or T-shape stacking. After entering the bulk water, asphaltene aggregates stacked in parallel were tightly sequestrated inside the inner cavity of LHA aggregates following surface adsorption and structure deformation. Asphaltene aggregation in water was 2-fold higher than at the toluene-water interface. The presence of LHA increased the intensity of asphaltene aggregation by up to 83% in bulk water while relatively less influence was observed at the toluene-water interface. Overall results suggested that the co-aggregation of asphaltene with humic acid should be incorporated to the current oil spill models for better interpreting the overall environmental risks of oil spill.

  14. Atomistic Molecular Dynamics Simulations of Crude Oil/Brine Displacement in Calcite Mesopores.

    PubMed

    Sedghi, Mohammad; Piri, Mohammad; Goual, Lamia

    2016-04-12

    Unconventional reservoirs such as hydrocarbon-bearing shale formations and ultratight carbonates generate a large fraction of oil and gas production in North America. The characteristic feature of these reservoirs is their nanoscale porosity that provides significant surface areas between the pore walls and the occupying fluids. To better assess hydrocarbon recovery from these formations, it is crucial to develop an improved insight into the effects of wall-fluid interactions on the interfacial phenomena in these nanoscale confinements. One of the important properties that controls the displacement of fluids inside the pores is the threshold capillary pressure. In this study, we present the results of an integrated series of large-scale molecular dynamics (MD) simulations performed to investigate the effects of wall-fluid interactions on the threshold capillary pressures of oil-water/brine displacements in a calcite nanopore with a square cross section. Fully atomistic models are utilized to represent crude oil, brine, and calcite in order to accommodate electrostatic interactions and H-bonding between the polar molecules and the calcite surface. To this end, we create mixtures of various polar and nonpolar organic molecules to better represent the crude oil. The interfacial tension between oil and water/brine and their contact angle on calcite surface are simulated. We study the effects of oil composition, water salinity, and temperature and pressure conditions on these properties. The threshold capillary pressure values are also obtained from the MD simulations for the calcite nanopore. We then compare the MD results against those generated using the Mayer-Stowe-Princen (MSP) method and explain the differences.

  15. A New High-Speed Oil-Free Turbine Engine Rotordynamic Simulator Test Rig

    NASA Technical Reports Server (NTRS)

    Howard, Samuel A.

    2007-01-01

    A new test rig has been developed for simulating high-speed turbomachinery rotor systems using Oil-Free foil air bearing technology. Foil air bearings have been used in turbomachinery, primarily air cycle machines, for the past four decades to eliminate the need for oil lubrication. The goal of applying this bearing technology to other classes of turbomachinery has prompted the fabrication of this test rig. The facility gives bearing designers the capability to test potential bearing designs with shafts that simulate the rotating components of a target machine without the high cost of building "make-and-break" hardware. The data collected from this rig can be used to make design changes to the shaft and bearings in subsequent design iterations. This paper describes the new test rig and demonstrates its capabilities through the initial run with a simulated shaft system.

  16. 3D simulation of floral oil storage in the scopa of South American insects

    NASA Astrophysics Data System (ADS)

    Ruettgers, Alexander; Griebel, Michael; Pastrik, Lars; Schmied, Heiko; Wittmann, Dieter; Scherrieble, Andreas; Dinkelmann, Albrecht; Stegmaier, Thomas; InstituteNumerical Simulation Team; Institute of Crop Science; Resource Conservation Team; Institute of Textile Technology; Process Engineering Team

    2014-11-01

    Several species of bees in South America possess structures to store and transport floral oils. By using closely spaced hairs at their back legs, the so called scopa, these bees can absorb and release oil droplets without loss. The high efficiency of this process is a matter of ongoing research. Basing on recent x-ray microtomography scans from the scopa of these bees at the Institute of Textile Technology and Process Engineering Denkendorf, we build a three-dimensional computer model. Using NaSt3DGPF, a two-phase flow solver developed at the Institute for Numerical Simulation of the University of Bonn, we perform massively parallel flow simulations with the complex micro-CT data. In this talk, we discuss the results of our simulations and the transfer of the x-ray measurement into a computer model. This research was funded under GR 1144/18-1 by the Deutsche Forschungsgemeinschaft (DFG).

  17. Space simulation ultimate pressure lowered two decades by removal of diffusion pump oil contaminants during operation

    NASA Technical Reports Server (NTRS)

    Buggele, A. E.

    1973-01-01

    The complex problem why large space simulation chambers do not realize the true ultimate vacuum was investigated. Some contaminating factors affecting diffusion pump performance have been identified and some advances in vacuum/distillation/fractionation technology have been achieved which resulted in a two decade or more lower ultimate pressure. Data are presented to show the overall or individual contaminating effect of commonly used phthalate ester plasticizers of 390 to 530 molecular weight on diffusion pump performance. Methods for removing contaminants from diffusion pump silicone oil during operation and reclaiming contaminated oil by high vacuum molecular distillation are described.

  18. Predictive data-derived Bayesian statistic-transport model and simulator of sunken oil mass

    NASA Astrophysics Data System (ADS)

    Echavarria Gregory, Maria Angelica

    Sunken oil is difficult to locate because remote sensing techniques cannot as yet provide views of sunken oil over large areas. Moreover, the oil may re-suspend and sink with changes in salinity, sediment load, and temperature, making deterministic fate models difficult to deploy and calibrate when even the presence of sunken oil is difficult to assess. For these reasons, together with the expense of field data collection, there is a need for a statistical technique integrating limited data collection with stochastic transport modeling. Predictive Bayesian modeling techniques have been developed and demonstrated for exploiting limited information for decision support in many other applications. These techniques brought to a multi-modal Lagrangian modeling framework, representing a near-real time approach to locating and tracking sunken oil driven by intrinsic physical properties of field data collected following a spill after oil has begun collecting on a relatively flat bay bottom. Methods include (1) development of the conceptual predictive Bayesian model and multi-modal Gaussian computational approach based on theory and literature review; (2) development of an object-oriented programming and combinatorial structure capable of managing data, integration and computation over an uncertain and highly dimensional parameter space; (3) creating a new bi-dimensional approach of the method of images to account for curved shoreline boundaries; (4) confirmation of model capability for locating sunken oil patches using available (partial) real field data and capability for temporal projections near curved boundaries using simulated field data; and (5) development of a stand-alone open-source computer application with graphical user interface capable of calibrating instantaneous oil spill scenarios, obtaining sets maps of relative probability profiles at different prediction times and user-selected geographic areas and resolution, and capable of performing post

  19. An Electroacoustic Hearing Protector Simulator That Accurately Predicts Pressure Levels in the Ear Based on Standard Performance Metrics

    DTIC Science & Technology

    2013-08-01

    24 Figure 20. ABQ experiment showing five volunteers located 1.0 m from source in upper-left panel wearing...study (Royster et al.,1996) in which users self-fit hearing protectors (ANSI S12.6- 2008 method B: user fit) with no experimenter instruction gives an...values provided by the experimenters and simulator fits for the intact and modified muffs. Figure 22 (upper panel) shows the simulator prediction

  20. Simulation of phase separation with large component ratio for oil-in-water emulsion in ultrasound field.

    PubMed

    Wang, Heping; Li, Xiaoguang; Li, Yanggui; Geng, Xingguo

    2017-05-01

    This paper presents an exploration for separation of oil-in-water and coalescence of oil droplets in ultrasound field via lattice Boltzmann method. Simulations were conducted by the ultrasound traveling and standing waves to enhance oil separation and trap oil droplets. The focus was to the effect of ultrasound irradiation on oil-in-water emulsion properties in the standing wave field, such as oil drop radius, morphology and growth kinetics of phase separation. Ultrasound fields were applied to irradiate the oil-in-water emulsion for getting flocculation of the oil droplets in 420kHz case, and larger dispersed oil droplets and continuous phases in 2MHz and 10MHz cases, respectively. The separated phases started to rise along the direction of sound propagation after several periods. The rising rate of the flocks was significantly greater in ultrasound case than that of oil droplets in the original emulsion, indicating that ultrasound irradiation caused a rapid increase of oil droplet quantity in the progress of the separation. The separation degree was also significantly improved with increasing frequency or irradiation time. The dataset was rearranged for growth kinetics of ultrasonic phase separation in a plot by spherically averaged structure factor and the ratio of oil and emulsion phases. The analyses recovered the two different temporal regimes: the spinodal decomposition and domain growth stages, which further quantified the morphology results. These numerical results provide guidance for setting the optimum condition for the separation of oil-in-water emulsion in the ultrasound field.

  1. Investigation of oil injection into brine for the strategic petroleum reserve : hydrodynamics experiments with simulant liquids.

    SciTech Connect

    Castaneda, Jaime N.; Shollenberger, Kim Ann; Torczynski, John Robert; Cote, Raymond O.; Barney, Jeremy; O'Hern, Timothy John

    2003-10-01

    An experimental program is being conducted to study a proposed approach for oil reintroduction in the Strategic Petroleum Reserve (SPR). The goal is to assess whether useful oil is rendered unusable through formation of a stable oil-brine emulsion during reintroduction of degassed oil into the brine layer in storage caverns. This report documents the first stage of the program, in which simulant liquids are used to characterize the buoyant plume that is produced when a jet of crude oil is injected downward from a tube into brine. The experiment consists of a large transparent vessel that is a scale model of the proposed oil injection process at the SPR. An oil layer is floated on top of a brine layer. Silicon oil (Dow Corning 200{reg_sign} Fluid, 5 cSt) is used as the simulant for crude oil to allow visualization of the flow and to avoid flammability and related concerns. Sodium nitrate solution is used as the simulant for brine because it is not corrosive and it can match the density ratio between brine and crude oil. The oil is injected downward through a tube into the brine at a prescribed depth below the oil-brine interface. Flow rates are determined by scaling to match the ratio of buoyancy to momentum between the experiment and the SPR. Initially, the momentum of the flow produces a downward jet of oil below the tube end. Subsequently, the oil breaks up into droplets due to shear forces, buoyancy dominates the flow, and a plume of oil droplets rises to the interface. The interface is deflected upward by the impinging oil-brine plume. Two different diameter injection tubes were used (1/2-inch and 1-inch OD) to vary the scaling. Use of the 1-inch injection tube also assured that turbulent pipe flow was achieved, which was questionable for lower flow rates in the 1/2-inch tube. In addition, a 1/2-inch J-tube was used to direct the buoyant jet upwards rather than downwards to determine whether flow redirection could substantially reduce the oil-plume size and the

  2. Physalis method for heterogeneous mixtures of dielectrics and conductors: Accurately simulating one million particles using a PC

    NASA Astrophysics Data System (ADS)

    Liu, Qianlong

    2011-09-01

    Prosperetti's seminal Physalis method, an Immersed Boundary/spectral method, had been used extensively to investigate fluid flows with suspended solid particles. Its underlying idea of creating a cage and using a spectral general analytical solution around a discontinuity in a surrounding field as a computational mechanism to enable the accommodation of physical and geometric discontinuities is a general concept, and can be applied to other problems of importance to physics, mechanics, and chemistry. In this paper we provide a foundation for the application of this approach to the determination of the distribution of electric charge in heterogeneous mixtures of dielectrics and conductors. The proposed Physalis method is remarkably accurate and efficient. In the method, a spectral analytical solution is used to tackle the discontinuity and thus the discontinuous boundary conditions at the interface of two media are satisfied exactly. Owing to the hybrid finite difference and spectral schemes, the method is spectrally accurate if the modes are not sufficiently resolved, while higher than second-order accurate if the modes are sufficiently resolved, for the solved potential field. Because of the features of the analytical solutions, the derivative quantities of importance, such as electric field, charge distribution, and force, have the same order of accuracy as the solved potential field during postprocessing. This is an important advantage of the Physalis method over other numerical methods involving interpolation, differentiation, and integration during postprocessing, which may significantly degrade the accuracy of the derivative quantities of importance. The analytical solutions enable the user to use relatively few mesh points to accurately represent the regions of discontinuity. In addition, the spectral convergence and a linear relationship between the cost of computer memory/computation and particle numbers results in a very efficient method. In the present

  3. Simulation of world oil market shocks: a Markov analysis of OPEC and consumer behavior

    SciTech Connect

    Kosobud, R.F.; Stokes, H.H.

    1980-04-01

    A simulation model is developed which analyzes and estimates equilibrium market shares and explores their implications for agreement patterns among producers and consumers. Using a first-order Markov transition-matrix analysis of transactions in the world oil market, shocks to market shares comparable to the Iranian revolution are simulated with agreed-upon quota changes among consuming nations. A partition of the Markov matrix can be used to represent potential conflicts of interest on both sides of the market. The Markov analysis is shown to provide not only shares but also absolute price and quantity. If competition prevails in the world oil market, the oil reserves of the Organization of Petroleum Exporting Countries (OPEC) members would make up the bulk of immediately available and least-cost energy resources. The world economy in this situation would achieve the most-rational use of energy resources by using oil reserves until rising prices bring about the transition to the next major energy resource. 70 references, 8 tables.

  4. Full vectorial simulation for characterizing loss or gain in optical devices with an accurate and automated finite-element program.

    PubMed

    Tzolov, V P; Fontaine, M; Sewell, G; Delâge, A

    1997-01-20

    An efficient, accurate, and automated vectorial finite-element method is described to characterize arbitrarily shaped optical devices having loss or gain properties. The method can be easily implemented inside the pde 2 d software environment, where an interactive session allows the user to specify the problem in a easy-to-use format. For the method to be validated, modal dispersion characteristics of high loss metal-coated optical fibers that have recently been used in applications in scanning near-field optical microscopy are presented and compared with results obtained with two vectorial approaches, i.e., the field expansion and the multiple-multipole methods. These results clearly illustrate the flexibility, accuracy, and ease of implementation of the method.

  5. Accurate Ab Initio Quantum Mechanics Simulations of Bi2Se3 and Bi2Te3 Topological Insulator Surfaces.

    PubMed

    Crowley, Jason M; Tahir-Kheli, Jamil; Goddard, William A

    2015-10-01

    It has been established experimentally that Bi2Te3 and Bi2Se3 are topological insulators, with zero band gap surface states exhibiting linear dispersion at the Fermi energy. Standard density functional theory (DFT) methods such as PBE lead to large errors in the band gaps for such strongly correlated systems, while more accurate GW methods are too expensive computationally to apply to the thin films studied experimentally. We show here that the hybrid B3PW91 density functional yields GW-quality results for these systems at a computational cost comparable to PBE. The efficiency of our approach stems from the use of Gaussian basis functions instead of plane waves or augmented plane waves. This remarkable success without empirical corrections of any kind opens the door to computational studies of real chemistry involving the topological surface state, and our approach is expected to be applicable to other semiconductors with strong spin-orbit coupling.

  6. Accurate and efficient prediction of fine-resolution hydrologic and carbon dynamic simulations from coarse-resolution models

    NASA Astrophysics Data System (ADS)

    Pau, George Shu Heng; Shen, Chaopeng; Riley, William J.; Liu, Yaning

    2016-02-01

    The topography, and the biotic and abiotic parameters are typically upscaled to make watershed-scale hydrologic-biogeochemical models computationally tractable. However, upscaling procedure can produce biases when nonlinear interactions between different processes are not fully captured at coarse resolutions. Here we applied the Proper Orthogonal Decomposition Mapping Method (PODMM) to downscale the field solutions from a coarse (7 km) resolution grid to a fine (220 m) resolution grid. PODMM trains a reduced-order model (ROM) with coarse-resolution and fine-resolution solutions, here obtained using PAWS+CLM, a quasi-3-D watershed processes model that has been validated for many temperate watersheds. Subsequent fine-resolution solutions were approximated based only on coarse-resolution solutions and the ROM. The approximation errors were efficiently quantified using an error estimator. By jointly estimating correlated variables and temporally varying the ROM parameters, we further reduced the approximation errors by up to 20%. We also improved the method's robustness by constructing multiple ROMs using different set of variables, and selecting the best approximation based on the error estimator. The ROMs produced accurate downscaling of soil moisture, latent heat flux, and net primary production with O(1000) reduction in computational cost. The subgrid distributions were also nearly indistinguishable from the ones obtained using the fine-resolution model. Compared to coarse-resolution solutions, biases in upscaled ROM solutions were reduced by up to 80%. This method has the potential to help address the long-standing spatial scaling problem in hydrology and enable long-time integration, parameter estimation, and stochastic uncertainty analysis while accurately representing the heterogeneities.

  7. Simulation of EOR (enhanced oil recovery) processes in stochastically generated permeable media

    SciTech Connect

    Waggoner, J.R.; Castillo, J.L.; Lake, L.W. . Dept. of Petroleum Engineering)

    1990-01-01

    Many enhanced oil recovery (EOR) processes involve injecting an agent, such as steam or CO{sub 2}, that is much more mobile than the resident oil. Other EOR processes attempt to improve sweep efficiency by adding polymer or surfactant to the injected water to create a favorable mobility ratio. This study examines the effect of statistically generated heterogeneity on miscible displacements at unfavorable and favorable mobility ratios. The principal goal is to delineate the effects of fingering, dispersion and channeling on volumetric sweep efficiency. Two-dimensional heterogeneous permeability fields are generated with variability (heterogeneity) and spatial correlation as characterizing parameters. Four levels of correlation and three of variability make up a 12 element matrix. At each element of the matrix, a miscible displacement simulation at unit mobility ratio shows the effect of the heterogeneity, and simulations at mobility ratios of 10 and 0.5 show the effect of viscous force differences combined with heterogeneity. 20 refs., 7 figs., 3 tabs.

  8. Accurate Monte Carlo simulations on FCC and HCP Lennard-Jones solids at very low temperatures and high reduced densities up to 1.30.

    PubMed

    Adidharma, Hertanto; Tan, Sugata P

    2016-07-07

    Canonical Monte Carlo simulations on face-centered cubic (FCC) and hexagonal closed packed (HCP) Lennard-Jones (LJ) solids are conducted at very low temperatures (0.10 ≤ T(∗) ≤ 1.20) and high densities (0.96 ≤ ρ(∗) ≤ 1.30). A simple and robust method is introduced to determine whether or not the cutoff distance used in the simulation is large enough to provide accurate thermodynamic properties, which enables us to distinguish the properties of FCC from that of HCP LJ solids with confidence, despite their close similarities. Free-energy expressions derived from the simulation results are also proposed, not only to describe the properties of those individual structures but also the FCC-liquid, FCC-vapor, and FCC-HCP solid phase equilibria.

  9. MULTEM: A new multislice program to perform accurate and fast electron diffraction and imaging simulations using Graphics Processing Units with CUDA.

    PubMed

    Lobato, I; Van Dyck, D

    2015-09-01

    The main features and the GPU implementation of the MULTEM program are presented and described. This new program performs accurate and fast multislice simulations by including higher order expansion of the multislice solution of the high energy Schrödinger equation, the correct subslicing of the three-dimensional potential and top-bottom surfaces. The program implements different kinds of simulation for CTEM, STEM, ED, PED, CBED, ADF-TEM and ABF-HC with proper treatment of the spatial and temporal incoherences. The multislice approach described here treats the specimen as amorphous material which allows a straightforward implementation of the frozen phonon approximation. The generalized transmission function for each slice is calculated when is needed and then discarded. This allows us to perform large simulations that can include millions of atoms and keep the computer memory requirements to a reasonable level.

  10. Accurate Monte Carlo simulations on FCC and HCP Lennard-Jones solids at very low temperatures and high reduced densities up to 1.30

    NASA Astrophysics Data System (ADS)

    Adidharma, Hertanto; Tan, Sugata P.

    2016-07-01

    Canonical Monte Carlo simulations on face-centered cubic (FCC) and hexagonal closed packed (HCP) Lennard-Jones (LJ) solids are conducted at very low temperatures (0.10 ≤ T∗ ≤ 1.20) and high densities (0.96 ≤ ρ∗ ≤ 1.30). A simple and robust method is introduced to determine whether or not the cutoff distance used in the simulation is large enough to provide accurate thermodynamic properties, which enables us to distinguish the properties of FCC from that of HCP LJ solids with confidence, despite their close similarities. Free-energy expressions derived from the simulation results are also proposed, not only to describe the properties of those individual structures but also the FCC-liquid, FCC-vapor, and FCC-HCP solid phase equilibria.

  11. Can a quantitative simulation of an Otto engine be accurately rendered by a simple Novikov model with heat leak?

    NASA Astrophysics Data System (ADS)

    Fischer, A.; Hoffmann, K.-H.

    2004-03-01

    In this case study a complex Otto engine simulation provides data including, but not limited to, effects from losses due to heat conduction, exhaust losses and frictional losses. This data is used as a benchmark to test whether the Novikov engine with heat leak, a simple endoreversible model, can reproduce the complex engine behavior quantitatively by an appropriate choice of model parameters. The reproduction obtained proves to be of high quality.

  12. How Many Grid Points are Required for Time Accurate Simulations Scheme Selection and Scale-Discriminant Stabilization

    DTIC Science & Technology

    2015-11-24

    Simulations? Scheme Selection and Scale- Discriminant Stabilization 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S...N/A Standard Form 298 (Rev. 8-98) Prescribed by ANSI Std. 239.18 1 Scheme Selection and Scale- Discriminant Stabilization How Many Grid...Statement A: Approved for public release; distribution is unlimited. Damping Characteristics: 
 Growth Factor 10 - need scale- discriminant , tunable

  13. A dual-porosity model for simulating solute transport in oil shale

    USGS Publications Warehouse

    Glover, K.C.

    1987-01-01

    A model is described for simulating three-dimensional groundwater flow and solute transport in oil shale and associated geohydrologic units. The model treats oil shale as a dual-porosity medium by simulating flow and transport within fractures using the finite-element method. Diffusion of solute between fractures and the essentially static water of the shale matrix is simulated by including an analytical solution that acts as a source-sink term to the differential equation of solute transport. While knowledge of fracture orientation and spacing is needed to effectively use the model, it is not necessary to map the locations of individual fractures. The computer program listed in the report incorporates many of the features of previous dual-porosity models while retaining a practical approach to solving field problems. As a result the theory of solute transport is not extended in any appreciable way. The emphasis is on bringing together various aspects of solute transport theory in a manner that is particularly suited to the unusual groundwater flow and solute transport characteristics of oil shale systems. (Author 's abstract)

  14. Amphiphilic nanosheet self-assembly at the water/oil interface: computer simulations.

    PubMed

    Xiang, Wenjun; Zhao, Shuangliang; Song, Xianyu; Fang, Shenwen; Wang, Fen; Zhong, Cheng; Luo, Zhaoyang

    2017-03-15

    In this paper, dissipative particle dynamics simulations are performed to study the interfacial and emulsion stabilizing properties of various systems of amphiphilic nanosheets (ANs) self-assembled at the oil/water (O/W) interface. The ANs have a dimensional symmetry structure that encompasses a triangular-plate at the center and two soft comb-like shells constructed with hydrophilic and hydrophobic polymers. As the simulation results show, the AN molecules are highly oriented in interfacial films with their triangular nanosheets parallel to the O/W interface, while their hydrophobic and hydrophilic segments attempt to immerse into the oil phase and aqueous phase, respectively. These results reveal that the rotation of ANs at oil/water interfaces is greatly restricted, meanwhile, their nanosheet (or planar) configuration facilitates their favorable orientation thereby, thus making the emulsion more stable. At higher concentrations, a wrapped-like or micelle morphology is observed. The O/W emulsions stabilized by ANs were also simulated, and it is interesting to find AN 'patches' at the O/W interface which resembles the leather patches on a football. By introducing the "amphiphilic nanosheet balance" concept, the hydrophilic-lipophilic balance (HLB) values of ANs were calculated. Due to their properties of two-dimensional symmetry, the HLB values of ANs tend to approximately 1 which reveals a stronger stability for emulsions.

  15. Accurate Three States Model for Amino Acids with Two Chemically Coupled Titrating Sites in Explicit Solvent Atomistic Constant pH Simulations and pKa Calculations.

    PubMed

    Dobrev, Plamen; Donnini, Serena; Groenhof, Gerrit; Grubmüller, Helmut

    2017-01-10

    Correct protonation of titratable groups in biomolecules is crucial for their accurate description by molecular dynamics simulations. In the context of constant pH simulations, an additional protonation degree of freedom is introduced for each titratable site, allowing the protonation state to change dynamically with changing structure or electrostatics. Here, we extend previous approaches for an accurate description of chemically coupled titrating sites. A second reaction coordinate is used to switch between two tautomeric states of an amino acid with chemically coupled titratable sites, such as aspartate (Asp), glutamate (Glu), and histidine (His). To this aim, we test a scheme involving three protonation states. To facilitate charge neutrality as required for periodic boundary conditions and Particle Mesh Ewald (PME) electrostatics, titration of each respective amino acid is coupled to a "water" molecule that is charged in the opposite direction. Additionally, a force field modification for Amber99sb is introduced and tested for the description of carboxyl group protonation. Our three states model is tested by titration simulations of Asp, Glu, and His, yielding a good agreement, reproducing the correct geometry of the groups in their different protonation forms. We further show that the ion concentration change due to the neutralizing "water" molecules does not significantly affect the protonation free energies of the titratable groups, suggesting that the three states model provides a good description of biomolecular dynamics at constant pH.

  16. Simulation of oil bioremediation in a tidally influenced beach: Spatiotemporal evolution of nutrient and dissolved oxygen

    NASA Astrophysics Data System (ADS)

    Geng, Xiaolong; Pan, Zhong; Boufadel, Michel C.; Ozgokmen, Tamay; Lee, Kenneth; Zhao, Lin

    2016-04-01

    Numerical experiments of oil bioremediation of tidally influenced beach were simulated using the model BIOMARUN. Nutrient and dissolved oxygen were assumed present in a solution applied on the exposed beach face, and the concentration of these amendments was tracked throughout the beach for up to 6 months. It was found that, in comparison to natural attenuation, bioremediation increased the removal efficiency by 76% and 65% for alkanes and aromatics, respectively. Increasing the nutrient concentration in the applied solution did not always enhance biodegradation as oxygen became limiting even when the beach was originally oxygen-rich. Therefore, replenishment of oxygen to oil-contaminated zone was also essential. Stimulation of oil biodegradation was more evident in the upper and midintertidal zone of the beach, and less in the lower intertidal zone. This was due to reduced nutrient and oxygen replenishment, as very little of the amendment solution reached that zone. It was found that under continual application, most of the oil biodegraded within 2 months, while it persisted for 6 months under natural conditions. While the difference in duration suggests minimal long-term effects, there are situations where the beach would need to be cleaned for major ecological functions, such as temporary nesting or feeding for migratory birds. Biochemical retention time map (BRTM) showed that the duration of solution application was dependent upon the stimulated oil biodegradation rate. By contrast, the application rate of the amendment solution was dependent upon the subsurface extent of the oil-contaminated zone. Delivery of nutrient and oxygen into coastal beach involved complex interaction among amendment solution, groundwater, and seawater. Therefore, approaches that ignore the hydrodynamics due to tide are unlikely to provide the optimal solutions for shoreline bioremediation.

  17. Determination of bedform resolution necessary to accurately resolve the flow field by comparing numerical simulations with field data

    NASA Astrophysics Data System (ADS)

    Margelowsky, G.; Foster, D.; Traykovski, P.; Felzenberg, J. A.

    2010-12-01

    The dynamics of wave-current and tidal flow bottom boundary layers are evaluated with a quasi-three-dimensional non-hydrostatic phase-resolving wave-current bottom boundary layer model, Dune. In each case, the model is evaluated with field observations of velocity profiles and seabed geometry. For wave-current boundary layers, the observations were obtained over a 26-day period in 13 m of water at the Martha’s Vineyard Coastal Observatory (MVCO, Edgartown, MA) in 2002 - 2003. Bedforms were orbital-scale ripples with wavelengths of 50-125 cm and heights of 5-20 cm with peak root-mean-square orbital velocities and mean flows typically ranging from 50-70 cm/s and 10-20 cm/s, respectively. The observations for tidal flows were obtained over a 3-day period in 13-16 m of water in Portsmouth Harbor (Portsmouth, NH) in 2008. Bedforms were dunes with wavelengths on the order of 1 m and heights on the order of 10 cm with typical peak tidal currents of approximately 1 m/s. The flow field is simulated with a finite volume approach to solve the Reynolds-Averaged Navier-Stokes equations with a k-ω 2nd order turbulence closure scheme. The model simulations are performed for a range of theoretical and observed bedforms to examine the boundary layer sensitivity to the resolution of the bottom roughness. The observed and predicted vertical velocity profiles are evaluated with correlations and Briar’s Skill scores over the range of data sets.

  18. Impact of the accurateness of bidirectional reflectance distribution function data on the intensity and luminance distributions of a light-emitting diode mixing chamber as obtained by simulations

    NASA Astrophysics Data System (ADS)

    Audenaert, Jan; Leloup, Frédéric B.; Van Giel, Bart; Durinck, Guy; Deconinck, Geert; Hanselaer, Peter

    2013-09-01

    The reliability of ray tracing simulations is strongly dependent on the accuracy of the input data such as the bidirectional reflectance distribution function (BRDF). Software developers offer the possibility to implement BRDF data in different ways, ranging from simple predefined functions to detailed tabulated data. The impact of the accuracy of the implemented reflectance model on ray tracing simulations has been investigated. A light-emitting diode device including a frequently employed diffuse reflector [microcellular polyethylene terephthalate (MCPET)] was constructed. The luminous intensity distribution (LID) and luminance distribution from a specific viewpoint were measured with a near-field goniophotometer. Both distributions were also simulated by use of ray tracing software. Three different reflection models of MCPET were introduced, varying in complexity: a diffuse model, a diffuse/specular model, and a model containing tabulated BRDF data. A good agreement between the measured and simulated LID was found irrespective of the applied model. However, the luminance distributions only corresponded when the most accurate BRDF model was applied. This proves that even for diffuse reflective materials, a simple BRDF model may only be employed for simulations of the LID; for evaluation of luminance distributions, more complex models are needed.

  19. Modeling of hydrologic conditions and solute movement in processed oil shale waste embankments under simulated climatic conditions

    SciTech Connect

    Reeves, T.L.; Turner, J.P.; Hasfurther, V.R.; Skinner, Q.D.

    1992-06-01

    The scope of this program is to study interacting hydrologic, geotechnical, and chemical factors affecting the behavior and disposal of combusted processed oil shale. The research combines bench-scale testing with large scale research sufficient to describe commercial scale embankment behavior. The large scale approach was accomplished by establishing five lysimeters, each 7.3 {times} 3.0 {times} 3.0 m deep, filled with processed oil shale that has been retorted and combusted by the Lurgi-Ruhrgas (Lurgi) process. Approximately 400 tons of Lurgi processed oil shale waste was provided by RBOSC to carry out this study. Research objectives were designed to evaluate hydrologic, geotechnical, and chemical properties and conditions which would affect the design and performance of large-scale embankments. The objectives of this research are: assess the unsaturated movement and redistribution of water and the development of potential saturated zones and drainage in disposed processed oil shale under natural and simulated climatic conditions; assess the unsaturated movement of solubles and major chemical constituents in disposed processed oil shale under natural and simulated climatic conditions; assess the physical and constitutive properties of the processed oil shale and determine potential changes in these properties caused by disposal and weathering by natural and simulated climatic conditions; assess the use of previously developed computer model(s) to describe the infiltration, unsaturated movement, redistribution, and drainage of water in disposed processed oil shale; evaluate the stability of field scale processed oil shale solid waste embankments using computer models.

  20. Modeling of hydrologic conditions and solute movement in processed oil shale waste embankments under simulated climatic conditions

    SciTech Connect

    Reeves, T.L.; Turner, J.P.; Hasfurther, V.R.; Skinner, Q.D.

    1992-06-01

    The scope of this program is to study interacting hydrologic, geotechnical, and chemical factors affecting the behavior and disposal of combusted processed oil shale. The research combines bench-scale testing with large scale research sufficient to describe commercial scale embankment behavior. The large scale approach was accomplished by establishing five lysimeters, each 7.3 [times] 3.0 [times] 3.0 m deep, filled with processed oil shale that has been retorted and combusted by the Lurgi-Ruhrgas (Lurgi) process. Approximately 400 tons of Lurgi processed oil shale waste was provided by RBOSC to carry out this study. Research objectives were designed to evaluate hydrologic, geotechnical, and chemical properties and conditions which would affect the design and performance of large-scale embankments. The objectives of this research are: assess the unsaturated movement and redistribution of water and the development of potential saturated zones and drainage in disposed processed oil shale under natural and simulated climatic conditions; assess the unsaturated movement of solubles and major chemical constituents in disposed processed oil shale under natural and simulated climatic conditions; assess the physical and constitutive properties of the processed oil shale and determine potential changes in these properties caused by disposal and weathering by natural and simulated climatic conditions; assess the use of previously developed computer model(s) to describe the infiltration, unsaturated movement, redistribution, and drainage of water in disposed processed oil shale; evaluate the stability of field scale processed oil shale solid waste embankments using computer models.

  1. Simulation of the landfall of the Deepwater Horizon oil on the shorelines of the Gulf of Mexico.

    PubMed

    Boufadel, Michel C; Abdollahi-Nasab, Ali; Geng, Xiaolong; Galt, Jerry; Torlapati, Jagadish

    2014-08-19

    We conducted simulations of oil transport from the footprint of the Macondo Well on the water surface throughout the Gulf of Mexico, including deposition on the shorelines. We used the U.S. National Oceanic Atmospheric Administration (NOAA) model General NOAA Operational Modeling Environment (GNOME) and the same parameter values and input adopted by NOAA following the Deepwater Horizon (DWH) blowout. We found that the disappearance rate of oil off the water surface was most likely around 20% per day based on satellite-based observations of the disappearance rate of oil detected on the sea surface after the DWH wellhead was capped. The simulations and oil mass estimates suggest that the mass of oil that reached the shorelines was between 10,000 and 30,000 tons, with an expected value of 22,000 tons. More than 90% of the oil deposition occurred on the Louisiana shorelines, and it occurred in two batches. Simulations revealed that capping the well after 2 weeks would have resulted in only 30% of the total oil depositing on the shorelines, while capping after 3 weeks would have resulted in 60% deposition. Additional delay in capping after 3 weeks would have averted little additional shoreline oiling over the ensuing 4 weeks.

  2. Simulation of Accurate Vibrationally Resolved Electronic Spectra: the Integrated Time-Dependent and Time-Independent Framework

    NASA Astrophysics Data System (ADS)

    Baiardi, Alberto; Barone, Vincenzo; Biczysko, Malgorzata; Bloino, Julien

    2014-06-01

    Two parallel theories including Franck-Condon, Herzberg-Teller and Duschinsky (i.e., mode mixing) effects, allowing different approximations for the description of excited state PES have been developed in order to simulate realistic, asymmetric, electronic spectra line-shapes taking into account the vibrational structure: the so-called sum-over-states or time-independent (TI) method and the alternative time-dependent (TD) approach, which exploits the properties of the Fourier transform. The integrated TI-TD procedure included within a general purpose QM code [1,2], allows to compute one photon absorption, fluorescence, phosphorescence, electronic circular dichroism, circularly polarized luminescence and resonance Raman spectra. Combining both approaches, which use a single set of starting data, permits to profit from their respective advantages and minimize their respective limits: the time-dependent route automatically includes all vibrational states and, possibly, temperature effects, while the time-independent route allows to identify and assign single vibronic transitions. Interpretation, analysis and assignment of experimental spectra based on integrated TI-TD vibronic computations will be illustrated for challenging cases of medium-sized open-shell systems in the gas and condensed phases with inclusion of leading anharmonic effects. 1. V. Barone, A. Baiardi, M. Biczysko, J. Bloino, C. Cappelli, F. Lipparini Phys. Chem. Chem. Phys, 14, 12404, (2012) 2. A. Baiardi, V. Barone, J. Bloino J. Chem. Theory Comput., 9, 4097-4115 (2013)

  3. Time-accurate aeroelastic simulations of a wind turbine in yaw and shear using a coupled CFD-CSD method

    NASA Astrophysics Data System (ADS)

    Yu, D. O.; Kwon, O. J.

    2014-06-01

    In the present study, aeroelastic simulations of horizontal-axis wind turbine rotor blades were conducted using a coupled CFD-CSD method. The unsteady blade aerodynamic loads and the dynamic blade response due to yaw misalignment and non-uniform sheared wind were investigated. For this purpose, a CFD code solving the RANS equations on unstructured meshes and a FEM-based CSD beam solver were used. The coupling of the CFD and CSD solvers was made by exchanging the data between the two solvers in a loosely coupled manner. The present coupled CFD-CSD method was applied to the NREL 5MW reference wind turbine rotor, and the results were compared with those of CFD-alone rigid blade calculations. It was found that aeroelastic blade deformation leads to a significant reduction of blade aerodynamic loads, and alters the unsteady load behaviours, mainly due to the torsional deformation. The reduction of blade aerodynamic loads is particularly significant at the advancing rotor blade side for yawed flow conditions, and at the upper half of rotor disk where wind velocity is higher due to wind shear.

  4. Flow Curve Determination at Large Plastic Strain Levels to Accurately Constitutive Equations of AHSS in Forming Simulation

    NASA Astrophysics Data System (ADS)

    Lemoine, X.; Sriram, S.; Kergen, R.

    2011-05-01

    ArcelorMittal continuously develops new steel grades (AHSS) with high performance for the automotive industry to improve the weight reduction and the passive safety. The wide market introduction of AHSS raises a new challenge for manufacturers in terms of material models in the prediction of forming—especially formability and springback. The relatively low uniform elongation, the high UTS and the low forming limit curve of these AHSS may cause difficulties in forming simulations. One of these difficulties is the consequence of the relatively low uniform elongation on the parameters identification of isotropic hardening model. Different experimental tests allow to reach large plastic strain levels (hydraulic bulge test, stack compression test, shear test…). After a description on how to determine the flow curve in these experimental tests, a comparison of the different flow curves is made for different steel grades. The ArcelorMittal identification protocol for hardening models is only based on stress-strain curves determined in uniaxial tension. Experimental tests where large plastic strain levels are reached are used to validate our identification protocol and to recommend some hardening models. Finally, the influence of isotropic hardening models and yield loci in forming prediction for AHSS steels will be presented.

  5. 3-D Time-Accurate CFD Simulations of a Multi-Megawatt Slender Bladed HAWT under Yawed Inflow Conditions

    NASA Astrophysics Data System (ADS)

    Sayed, M.; Lutz, Th.; Krämer, E.

    2016-09-01

    In the present study numerical investigations of a generic Multi-Megawatt slender bladed Horizontal-Axis Wind Turbine (HAWT) under yawed inflow conditions were conducted. A three-dimensional URANS flow solver based on structured overlapping meshes was used. The simulations were conducted at wind speeds of 7m/sec, 11 m/sec and 15 m/sec for different yaw angles ranging from +60° to -60°. It was concluded that, for below rated wind speeds, under small yaw angles (below ±15°) the magnitudes of the blade forces are slightly increased, while under high yaw angles (above ±15°) there is a significant decrease. Moreover, the load fluctuations, for the different yaw angles, have the same frequency but different amplitude and oscillation shape. It was concluded that at the above rated wind speed of 15 m/sec, the blade aerodynamic loads are significantly affected by the yaw inflow conditions and the magnitude values of the loads are decreased with increasing yaw angle. It can be concluded that the angle of attack and the tower interference are the utmost variables affecting the yawed turbines.

  6. Evolution of the Macondo well blowout: simulating the effects of the circulation and synthetic dispersants on the subsea oil transport.

    PubMed

    Paris, Claire B; Hénaff, Matthieu Le; Aman, Zachary M; Subramaniam, Ajit; Helgers, Judith; Wang, Dong-Ping; Kourafalou, Vassiliki H; Srinivasan, Ashwanth

    2012-12-18

    During the Deepwater Horizon incident, crude oil flowed into the Gulf of Mexico from 1522 m underwater. In an effort to prevent the oil from rising to the surface, synthetic dispersants were applied at the wellhead. However, uncertainties in the formation of oil droplets and difficulties in measuring their size in the water column, complicated further assessment of the potential effect of the dispersant on the subsea-to-surface oil partition. We adapted a coupled hydrodynamic and stochastic buoyant particle-tracking model to the transport and fate of hydrocarbon fractions and simulated the far-field transport of the oil from the intrusion depth. The evaluated model represented a baseline for numerical experiments where we varied the distributions of particle sizes and thus oil mass. The experiments allowed to quantify the relative effects of chemical dispersion, vertical currents, and inertial buoyancy motion on oil rise velocities. We present a plausible model scenario, where some oil is trapped at depth through shear emulsification due to the particular conditions of the Macondo blowout. Assuming effective mixing of the synthetic dispersants at the wellhead, the model indicates that the submerged oil mass is shifted deeper, decreasing only marginally the amount of oil surfacing. In this scenario, the oil rises slowly to the surface or stays immersed. This suggests that other mechanisms may have contributed to the rapid surfacing of oil-gas mixture observed initially. The study also reveals local topographic and hydrodynamic processes that influence the oil transport in eddies and multiple layers. This numerical approach provides novel insights on oil transport mechanisms from deep blowouts and on gauging the subsea use of synthetic dispersant in mitigating coastal damage.

  7. A combination of streamtube and geostatical simulation methodologies for the study of large oil reservoirs

    SciTech Connect

    Chakravarty, A.; Emanuel, A.S.; Bernath, J.A.

    1997-08-01

    The application of streamtube models for reservoir simulation has an extensive history in the oil industry. Although these models are strictly applicable only to fields under voidage balance, they have proved to be useful in a large number of fields provided that there is no solution gas evolution and production. These models combine the benefit of very fast computational time with the practical ability to model a large reservoir over the course of its history. These models do not, however, directly incorporate the detailed geological information that recent experience has taught is important. This paper presents a technique for mapping the saturation information contained in a history matched streamtube model onto a detailed geostatistically derived finite difference grid. With this technique, the saturation information in a streamtube model, data that is actually statistical in nature, can be identified with actual physical locations in a field and a picture of the remaining oil saturation can be determined. Alternatively, the streamtube model can be used to simulate the early development history of a field and the saturation data then used to initialize detailed late time finite difference models. The proposed method is presented through an example application to the Ninian reservoir. This reservoir, located in the North Sea (UK), is a heterogeneous sandstone characterized by a line drive waterflood, with about 160 wells, and a 16 year history. The reservoir was satisfactorily history matched and mapped for remaining oil saturation. A comparison to 3-D seismic survey and recently drilled wells have provided preliminary verification.

  8. Computer simulation of reservoir depletion and oil flow from the Macondo well following the Deepwater Horizon blowout

    USGS Publications Warehouse

    Hsieh, Paul

    2010-01-01

    This report describes the application of a computer model to simulate reservoir depletion and oil flow from the Macondo well following the Deepwater Horizon blowout. Reservoir and fluid data used for model development are based on (1) information released in BP's investigation report of the incident, (2) information provided by BP personnel during meetings in Houston, Texas, and (3) calibration by history matching to shut-in pressures measured in the capping stack during the Well Integrity Test. The model is able to closely match the measured shut-in pressures. In the simulation of the 86-day period from the blowout to shut in, the simulated reservoir pressure at the well face declines from the initial reservoir pressure of 11,850 pounds per square inch (psi) to 9,400 psi. After shut in, the simulated reservoir pressure recovers to a final value of 10,300 psi. The pressure does not recover back to the initial pressure owing to reservoir depletion caused by 86 days of oil discharge. The simulated oil flow rate declines from 63,600 stock tank barrels per day just after the Deepwater Horizon blowout to 52,600 stock tank barrels per day just prior to shut in. The simulated total volume of oil discharged is 4.92 million stock tank barrels. The overall uncertainty in the simulated flow rates and total volume of oil discharged is estimated to be + or - 10 percent.

  9. A fortran program for Monte Carlo simulation of oil-field discovery sequences

    USGS Publications Warehouse

    Bohling, G.C.; Davis, J.C.

    1993-01-01

    We have developed a program for performing Monte Carlo simulation of oil-field discovery histories. A synthetic parent population of fields is generated as a finite sample from a distribution of specified form. The discovery sequence then is simulated by sampling without replacement from this parent population in accordance with a probabilistic discovery process model. The program computes a chi-squared deviation between synthetic and actual discovery sequences as a function of the parameters of the discovery process model, the number of fields in the parent population, and the distributional parameters of the parent population. The program employs the three-parameter log gamma model for the distribution of field sizes and employs a two-parameter discovery process model, allowing the simulation of a wide range of scenarios. ?? 1993.

  10. Global simulations of smoke from Kuwaiti oil fires and possible effects on climate

    SciTech Connect

    Glatzmaier, G.A.; Malone, R.C.; Kao, C.Y.J.

    1991-01-01

    The Los Alamos Global Climate Model has bee used to simulate the global evolution of the Kuwaiti oil fire smoke and its potential effects on the climate. The initial simulations were done shortly before the fires were lit in January 1991. They indicated that such an event would not result in a Mini Nuclear Winter'' as some people were suggesting. Further simulations during the year suggested that the smoke could be responsible for subtle regional climate changes in the spring such as a 5 degree centigrade decrease in the surface temperature in Kuwait, a 10% decrease in precipitation in Saudi Arabia and a 10% increase in precipitation in the Tibetan Plateau region. These results are in qualitative agreement with the observations this year.

  11. Global simulations of smoke from Kuwaiti oil fires and possible effects on climate

    SciTech Connect

    Glatzmaier, G.A.; Malone, R.C.; Kao, C.Y.J.

    1991-12-31

    The Los Alamos Global Climate Model has bee used to simulate the global evolution of the Kuwaiti oil fire smoke and its potential effects on the climate. The initial simulations were done shortly before the fires were lit in January 1991. They indicated that such an event would not result in a ``Mini Nuclear Winter`` as some people were suggesting. Further simulations during the year suggested that the smoke could be responsible for subtle regional climate changes in the spring such as a 5 degree centigrade decrease in the surface temperature in Kuwait, a 10% decrease in precipitation in Saudi Arabia and a 10% increase in precipitation in the Tibetan Plateau region. These results are in qualitative agreement with the observations this year.

  12. Petroleum biodegradation studied in sediment-flow-through systems simulating natural oil seepage in marine sediments

    NASA Astrophysics Data System (ADS)

    Mishra, Sonakshi; Wefers, Peggy; Steeb, Philip; Schmidt, Mark; Treude, Tina

    2014-05-01

    The natural biodegradation of hydrocarbons depends on several environmental factors like nutrients, salinity, temperature, pressure, redox-conditions and composition of crude oil. Petroleum migrating from depth into marine surface sediments at natural seep sites could be subjected to a sequence of different kind of microbial processes which is controlled by a strong redox gradient within a thin sediment segment. Most studies on microbial degradation of petroleum have focused either only on selected hydrocarbon fractions or on cultured microbes. This study, however, attempts to investigate the natural microbial response of marine sediments to crude oil seepage with detailed analysis of sediment and porewater geochemistry, hydrocarbon degradation products, microbial activity, and microbial genetics. A sediment-oil-flow-through-system was established where crude oil migrated through the bottom of (approximately 30 cm long) intact marine sediment cores simulating a natural seepage scenario. Electron acceptor-rich oxic seawater was provided at the top of the core and anoxic conditions were established at the bottom of the cores. The intact sediment cores had been sampled from the Caspian Sea (near Baku) and the North Alex Mud Volcano in the Mediterranean Sea. The Caspian Sea and the North Alex Mud Volcano are both sites with active transport of hydrocarbons from depth by mud volcano activity. The geochemical changes in the sediment cores during oil seepage were monitored by using microelectrodes and porewater analyses. The geochemical analysis was later followed by hydrocarbon and molecular analyses at the end of the experiment by slicing the cores. First results based on the biogeochemistry of the sediment cores and hydrocarbon analyses are presented here. Porewater profiles of hydrogen sulfide and sulfate during the experimental runs gave first indications of microbial response and sulfate reduction due to the addition of crude oil. The core from North Alex Mud

  13. An overview of uncertainty quantification techniques with application to oceanic and oil-spill simulations

    NASA Astrophysics Data System (ADS)

    Iskandarani, Mohamed; Wang, Shitao; Srinivasan, Ashwanth; Carlisle Thacker, W.; Winokur, Justin; Knio, Omar M.

    2016-04-01

    We give an overview of four different ensemble-based techniques for uncertainty quantification and illustrate their application in the context of oil plume simulations. These techniques share the common paradigm of constructing a model proxy that efficiently captures the functional dependence of the model output on uncertain model inputs. This proxy is then used to explore the space of uncertain inputs using a large number of samples, so that reliable estimates of the model's output statistics can be calculated. Three of these techniques use polynomial chaos (PC) expansions to construct the model proxy, but they differ in their approach to determining the expansions' coefficients; the fourth technique uses Gaussian Process Regression (GPR). An integral plume model for simulating the Deepwater Horizon oil-gas blowout provides examples for illustrating the different techniques. A Monte Carlo ensemble of 50,000 model simulations is used for gauging the performance of the different proxies. The examples illustrate how regression-based techniques can outperform projection-based techniques when the model output is noisy. They also demonstrate that robust uncertainty analysis can be performed at a fraction of the cost of the Monte Carlo calculation.

  14. Computer simulation of nonstationary thermal fields in design and operation of northern oil and gas fields

    SciTech Connect

    Vaganova, N. A.; Filimonov, M. Yu.

    2015-11-30

    A mathematical model, numerical algorithm and program code for simulation and long-term forecasting of changes in permafrost as a result of operation of a multiple well pad of northern oil and gas field are presented. In the model the most significant climatic and physical factors are taken into account such as solar radiation, determined by specific geographical location, heterogeneous structure of frozen soil, thermal stabilization of soil, possible insulation of the objects, seasonal fluctuations in air temperature, and freezing and thawing of the upper soil layer. Results of computing are presented.

  15. Simulation of infrared emissivity and reflectivity of oil films on sea surfaces

    NASA Astrophysics Data System (ADS)

    Pinel, Nicolas; Monnier, Goulven; Sergievskaya, Irina; Bourlier, Christophe

    2015-10-01

    In this paper, an efficient sea surface generation is described for the fast and realistic simulation of the infrared emissivity and reflectivity of clean and contaminated seas. The clean sea surface is modelled by the Elfouhaily et al. spectrum model. For describing the surface damping due to the oil film at the sea surface, the model of local balance (MLB) is used. Thus, these surface models are used as the basis for calculating the emissivity and reflectivity. The numerical efficient computation is tested by comparison with the reference statistical computation for its validation.

  16. Evaluation of the Community Multiscale Air Quality Model for Simulating Winter Ozone Formation in the Uinta Basin with Intensive Oil and Gas Production

    NASA Astrophysics Data System (ADS)

    Matichuk, R.; Tonnesen, G.; Luecken, D.; Roselle, S. J.; Napelenok, S. L.; Baker, K. R.; Gilliam, R. C.; Misenis, C.; Murphy, B.; Schwede, D. B.

    2015-12-01

    The western United States is an important source of domestic energy resources. One of the primary environmental impacts associated with oil and natural gas production is related to air emission releases of a number of air pollutants. Some of these pollutants are important precursors to the formation of ground-level ozone. To better understand ozone impacts and other air quality issues, photochemical air quality models are used to simulate the changes in pollutant concentrations in the atmosphere on local, regional, and national spatial scales. These models are important for air quality management because they assist in identifying source contributions to air quality problems and designing effective strategies to reduce harmful air pollutants. The success of predicting oil and natural gas air quality impacts depends on the accuracy of the input information, including emissions inventories, meteorological information, and boundary conditions. The treatment of chemical and physical processes within these models is equally important. However, given the limited amount of data collected for oil and natural gas production emissions in the past and the complex terrain and meteorological conditions in western states, the ability of these models to accurately predict pollution concentrations from these sources is uncertain. Therefore, this presentation will focus on understanding the Community Multiscale Air Quality (CMAQ) model's ability to predict air quality impacts associated with oil and natural gas production and its sensitivity to input uncertainties. The results will focus on winter ozone issues in the Uinta Basin, Utah and identify the factors contributing to model performance issues. The results of this study will help support future air quality model development, policy and regulatory decisions for the oil and gas sector.

  17. Simulation study to determine the feasibility of injecting hydrogen sulfide, carbon dioxide and nitrogen gas injection to improve gas and oil recovery oil-rim reservoir

    NASA Astrophysics Data System (ADS)

    Eid, Mohamed El Gohary

    This study is combining two important and complicated processes; Enhanced Oil Recovery, EOR, from the oil rim and Enhanced Gas Recovery, EGR from the gas cap using nonhydrocarbon injection gases. EOR is proven technology that is continuously evolving to meet increased demand and oil production and desire to augment oil reserves. On the other hand, the rapid growth of the industrial and urban development has generated an unprecedented power demand, particularly during summer months. The required gas supplies to meet this demand are being stretched. To free up gas supply, alternative injectants to hydrocarbon gas are being reviewed to support reservoir pressure and maximize oil and gas recovery in oil rim reservoirs. In this study, a multi layered heterogeneous gas reservoir with an oil rim was selected to identify the most optimized development plan for maximum oil and gas recovery. The integrated reservoir characterization model and the pertinent transformed reservoir simulation history matched model were quality assured and quality checked. The development scheme is identified, in which the pattern and completion of the wells are optimized to best adapt to the heterogeneity of the reservoir. Lateral and maximum block contact holes will be investigated. The non-hydrocarbon gases considered for this study are hydrogen sulphide, carbon dioxide and nitrogen, utilized to investigate miscible and immiscible EOR processes. In November 2010, re-vaporization study, was completed successfully, the first in the UAE, with an ultimate objective is to examine the gas and condensate production in gas reservoir using non hydrocarbon gases. Field development options and proces schemes as well as reservoir management and long term business plans including phases of implementation will be identified and assured. The development option that maximizes the ultimate recovery factor will be evaluated and selected. The study achieved satisfactory results in integrating gas and oil

  18. Simulating pathways of subsurface oil in the Faroe-Shetland Channel using an ocean general circulation model.

    PubMed

    Main, C E; Yool, A; Holliday, N P; Popova, E E; Jones, D O B; Ruhl, H A

    2017-01-15

    Little is known about the fate of subsurface hydrocarbon plumes from deep-sea oil well blowouts and their effects on processes and communities. As deepwater drilling expands in the Faroe-Shetland Channel (FSC), oil well blowouts are a possibility, and the unusual ocean circulation of this region presents challenges to understanding possible subsurface oil pathways in the event of a spill. Here, an ocean general circulation model was used with a particle tracking algorithm to assess temporal variability of the oil-plume distribution from a deep-sea oil well blowout in the FSC. The drift of particles was first tracked for one year following release. Then, ambient model temperatures were used to simulate temperature-mediated biodegradation, truncating the trajectories of particles accordingly. Release depth of the modeled subsurface plumes affected both their direction of transport and distance travelled from their release location, and there was considerable interannual variability in transport.

  19. Gas chromatographic simulated distillation-mass spectrometry for the determination of the boiling point distributions of crude oils

    PubMed

    Roussis; Fitzgerald

    2000-04-01

    The coupling of gas chromatographic simulated distillation with mass spectrometry for the determination of the distillation profiles of crude oils is reported. The method provides the boiling point distributions of both weight and volume percent amounts. The weight percent distribution is obtained from the measured total ion current signal. The total ion current signal is converted to weight percent amount by calibration with a reference crude oil of a known distillation profile. Knowledge of the chemical composition of the crude oil across the boiling range permits the determination of the volume percent distribution. The long-term repeatability is equivalent to or better than the short-term repeatability of the currently available American Society for Testing and Materials (ASTM) gas chromatographic method for simulated distillation. Results obtained by the mass spectrometric method are in very good agreement with results obtained by conventional methods of physical distillation. The compositional information supplied by the method can be used to extensively characterize crude oils.

  20. Trajectory of an oil spill off Goa, eastern Arabian Sea: field observations and simulations.

    PubMed

    Vethamony, P; Sudheesh, K; Babu, M T; Jayakumar, S; Manimurali, R; Saran, A K; Sharma, L H; Rajan, B; Srivastava, M

    2007-07-01

    An oil spill occurred off Goa, west coast of India, on 23 March 2005 due to collision of two vessels. In general, fair weather with weak winds prevails along the west coast of India during March. In that case, the spill would have moved slowly and reached the coast. However, in 2005 when this event occurred, relatively stronger winds prevailed, and these winds forced the spill to move away from the coast. The spill trajectory was dominated by winds rather than currents. The MIKE21 Spill Analysis model was used to simulate the spill trajectory. The observed spill trajectory and the slick area were in agreement with the model simulations. The present study illustrates the importance of having pre-validated trajectories of spill scenarios for selecting eco-sensitive regions for preparedness and planning suitable response strategies whenever spill episodes occur.

  1. Prior-knowledge-based feedforward network simulation of true boiling point curve of crude oil.

    PubMed

    Chen, C W; Chen, D Z

    2001-11-01

    Theoretical results and practical experience indicate that feedforward networks can approximate a wide class of functional relationships very well. This property is exploited in modeling chemical processes. Given finite and noisy training data, it is important to encode the prior knowledge in neural networks to improve the fit precision and the prediction ability of the model. In this paper, as to the three-layer feedforward networks and the monotonic constraint, the unconstrained method, Joerding's penalty function method, the interpolation method, and the constrained optimization method are analyzed first. Then two novel methods, the exponential weight method and the adaptive method, are proposed. These methods are applied in simulating the true boiling point curve of a crude oil with the condition of increasing monotonicity. The simulation experimental results show that the network models trained by the novel methods are good at approximating the actual process. Finally, all these methods are discussed and compared with each other.

  2. Numerical simulations of the Macondo well blowout reveal strong control of oil flow by reservoir permeability and exsolution of gas.

    PubMed

    Oldenburg, Curtis M; Freifeld, Barry M; Pruess, Karsten; Pan, Lehua; Finsterle, Stefan; Moridis, George J

    2012-12-11

    In response to the urgent need for estimates of the oil and gas flow rate from the Macondo well MC252-1 blowout, we assembled a small team and carried out oil and gas flow simulations using the TOUGH2 codes over two weeks in mid-2010. The conceptual model included the oil reservoir and the well with a top boundary condition located at the bottom of the blowout preventer. We developed a fluid properties module (Eoil) applicable to a simple two-phase and two-component oil-gas system. The flow of oil and gas was simulated using T2Well, a coupled reservoir-wellbore flow model, along with iTOUGH2 for sensitivity analysis and uncertainty quantification. The most likely oil flow rate estimated from simulations based on the data available in early June 2010 was about 100,000 bbl/d (barrels per day) with a corresponding gas flow rate of 300 MMscf/d (million standard cubic feet per day) assuming the well was open to the reservoir over 30 m of thickness. A Monte Carlo analysis of reservoir and fluid properties provided an uncertainty distribution with a long tail extending down to 60,000 bbl/d of oil (170 MMscf/d of gas). The flow rate was most strongly sensitive to reservoir permeability. Conceptual model uncertainty was also significant, particularly with regard to the length of the well that was open to the reservoir. For fluid-entry interval length of 1.5 m, the oil flow rate was about 56,000 bbl/d. Sensitivity analyses showed that flow rate was not very sensitive to pressure-drop across the blowout preventer due to the interplay between gas exsolution and oil flow rate.

  3. Numerical simulations of the Macondo well blowout reveal strong control of oil flow by reservoir permeability and exsolution of gas

    PubMed Central

    Oldenburg, Curtis M.; Freifeld, Barry M.; Pruess, Karsten; Pan, Lehua; Finsterle, Stefan; Moridis, George J.

    2012-01-01

    In response to the urgent need for estimates of the oil and gas flow rate from the Macondo well MC252-1 blowout, we assembled a small team and carried out oil and gas flow simulations using the TOUGH2 codes over two weeks in mid-2010. The conceptual model included the oil reservoir and the well with a top boundary condition located at the bottom of the blowout preventer. We developed a fluid properties module (Eoil) applicable to a simple two-phase and two-component oil-gas system. The flow of oil and gas was simulated using T2Well, a coupled reservoir-wellbore flow model, along with iTOUGH2 for sensitivity analysis and uncertainty quantification. The most likely oil flow rate estimated from simulations based on the data available in early June 2010 was about 100,000 bbl/d (barrels per day) with a corresponding gas flow rate of 300 MMscf/d (million standard cubic feet per day) assuming the well was open to the reservoir over 30 m of thickness. A Monte Carlo analysis of reservoir and fluid properties provided an uncertainty distribution with a long tail extending down to 60,000 bbl/d of oil (170 MMscf/d of gas). The flow rate was most strongly sensitive to reservoir permeability. Conceptual model uncertainty was also significant, particularly with regard to the length of the well that was open to the reservoir. For fluid-entry interval length of 1.5 m, the oil flow rate was about 56,000 bbl/d. Sensitivity analyses showed that flow rate was not very sensitive to pressure-drop across the blowout preventer due to the interplay between gas exsolution and oil flow rate. PMID:21730177

  4. Hazard assessment of a simulated oil spill on intertidal areas of the St. Lawrence River with SPMD-TOX

    USGS Publications Warehouse

    Johnson, B.T.; Petty, J.D.; Huckins, J.N.; Lee, Kenneth; Gauthier, J.

    2004-01-01

    Phytoremediation in a simulated crude oil spill was studied with a "minimalistic" approach. The SPMD-TOX paradigm - a miniature passive sorptive device to collect and concentrate chemicals and microscale tests to detect toxicity - was used to monitor over time the bioavailability and potential toxicity of an oil spill. A simulated crude oil spill was initiated on an intertidal freshwater grass-wetland along the St. Lawrence River southwest of Quebec City, Quebec, Canada. Several phytoremediation treatments were investigated; to dissipate and ameliorate the spill, treatments included nutrient amendments with inorganic nitrogen sources (ammonium nitrate and sodium nitrate) and phosphate (super triple phosphate) with and without cut plants, with natural attenuation (no phytoremedial treatment) as a control. Sequestered oil residues were bioavailable in all oil-treated plots in Weeks 1 and 2. Interestingly, the samples were colored and fluoresced under ultraviolet light. In addition, microscale tests showed that sequestered residues were acutely toxic and genotoxic, as well as that they induced hepatic P450 enzymes. Analysis of these data suggested that polycyclic aromatic hydrocarbons were among the bioavailable residues sequestered. In addition, these findings suggested that the toxic bioavailable fractions of the oil spill and degradation products dissipated rapidly over time because after the second week the water column contained no oil or detectable degradation products in this riverine intertidal wetland. SPMD-TOX revealed no evidence of bioavailable oil products in Weeks 4, 6, 8, and 12. All phytoremediation efforts appeared to be ineffective in changing either the dissipation rate or the ability to ameliorate the oil toxicity. SPMD-TOX analysis of the water columns from these riverine experimental plots profiled the occurrence, dissipation, and influence of phytoremediation on the bioavailability and toxicity of oil products (parent or degradation products

  5. Creation of an idealized nasopharynx geometry for accurate computational fluid dynamics simulations of nasal airflow in patient-specific models lacking the nasopharynx anatomy.

    PubMed

    A T Borojeni, Azadeh; Frank-Ito, Dennis O; Kimbell, Julia S; Rhee, John S; Garcia, Guilherme J M

    2016-08-15

    Virtual surgery planning based on computational fluid dynamics (CFD) simulations has the potential to improve surgical outcomes for nasal airway obstruction patients, but the benefits of virtual surgery planning must outweigh the risks of radiation exposure. Cone beam computed tomography (CT) scans represent an attractive imaging modality for virtual surgery planning due to lower costs and lower radiation exposures compared with conventional CT scans. However, to minimize the radiation exposure, the cone beam CT sinusitis protocol sometimes images only the nasal cavity, excluding the nasopharynx. The goal of this study was to develop an idealized nasopharynx geometry for accurate representation of outlet boundary conditions when the nasopharynx geometry is unavailable. Anatomically accurate models of the nasopharynx created from 30 CT scans were intersected with planes rotated at different angles to obtain an average geometry. Cross sections of the idealized nasopharynx were approximated as ellipses with cross-sectional areas and aspect ratios equal to the average in the actual patient-specific models. CFD simulations were performed to investigate whether nasal airflow patterns were affected when the CT-based nasopharynx was replaced by the idealized nasopharynx in 10 nasal airway obstruction patients. Despite the simple form of the idealized geometry, all biophysical variables (nasal resistance, airflow rate, and heat fluxes) were very similar in the idealized vs patient-specific models. The results confirmed the expectation that the nasopharynx geometry has a minimal effect in the nasal airflow patterns during inspiration. The idealized nasopharynx geometry will be useful in future CFD studies of nasal airflow based on medical images that exclude the nasopharynx.

  6. Oil Spill!

    ERIC Educational Resources Information Center

    Ansberry, Karen Rohrich; Morgan, Emily

    2005-01-01

    An oil spill occurs somewhere in the world almost every day of the year, and the consequences can be devastating. In this month's column, students explore the effects of oil spills on plants, animals, and the environment and investigate oil spill clean-up methods through a simulated oil spill. The activities described in this article give students…

  7. The detection and prediction for oil spill on the sea based on the infrared images

    NASA Astrophysics Data System (ADS)

    Chen, Xu; Liu, Lei; Huang, Wei

    2016-07-01

    Detection for oil pollution is an important part of the marine environment protection in maritime security. In order to realize all-weather, rapid and accurate oil spill area detection, infrared images of oil spill on the sea is processed on account of infrared thermal imaging's visual capacity in darkness and frog. The detection for oil spill is realized and the location as well as the area of oil spill is calculated. The prediction integrated model of oil spill spreading is established and the prediction simulation for oil spill area is realized by changing the oil varieties, environmental factors and time, etc. The results show that this simulation is accurate, fast, intuitive and simple. It has certain significance for realizing the early warning of oil spill area detection automatically, intelligently and quickly.

  8. Sorption and distribution of asphaltene, resin, aromatic and saturate fractions of heavy crude oil on quartz surface: molecular dynamic simulation.

    PubMed

    Wu, Guozhong; He, Lin; Chen, Daoyi

    2013-09-01

    The molecular scale sorption, diffusion and distribution of asphaltene, resin, aromatic and saturate fractions of heavy crude oil on quartz surface were studied using molecular dynamic simulation. Sorption of saturates on quartz decreased by 31% when temperature increased from 298 to 398K while opposite trend was observed for resins, but insignificant changes were found in asphaltenes and aromatics. Despite of this variety, the main contribution of interactions was van der Waals energy (>90%) irrespective of molecular components and temperatures. The diffusion coefficient of saturates was predicted as 10.8×10(-10)m(2)s(-1) while that of the remaining fractions was about 4×10(-10)m(2)s(-1) at 298K. The most likely oil distribution on quartz surface was that aromatics and saturates transported randomly into and out of the complex consisting of asphaltenes surrounded by resins, which was influenced by temperature. Overall, the knowledge on quartz-oil and oil-oil interactions gained in this study is essential for future risk assessment and remediation activities as previous studies on soil remediation either limited to light oil fractions with <40 carbons or treated the heavy crude oil as a single pseudo entity ignoring the interactions between oil fractions.

  9. DEVELOPMENT OF BIOSURFACTANT-MEDIATED OIL RECOVERY IN MODEL POROUS SYSTEMS AND COMPUTER SIMULATIONS OF BIOSURFACTANT-MEDIATED OIL RECOVERY

    SciTech Connect

    M.J. McInerney; S.K. Maudgalya; R. Knapp; M. Folmsbee

    2004-05-31

    Current technology recovers only one-third to one-half of the oil that is originally present in an oil reservoir. Entrapment of petroleum hydrocarbons by capillary forces is a major factor that limits oil recovery (1, 3, 4). Hydrocarbon displacement can occur if interfacial tension (IFT) between the hydrocarbon and aqueous phases is reduced by several orders of magnitude. Microbially-produced biosurfactants may be an economical method to recover residual hydrocarbons since they are effective at low concentrations. Previously, we showed that substantial mobilization of residual hydrocarbon from a model porous system occurs at biosurfactant concentrations made naturally by B. mojavensis strain JF-1 if a polymer and 2,3-butanediol were present (2). In this report, we include data on oil recovery from Berea sandstone experiments along with our previous data from sand pack columns in order to relate biosurfactant concentration to the fraction of oil recovered. We also investigate the effect that the JF-2 biosurfactant has on interfacial tension (IFT). The presence of a co-surfactant, 2,3-butanediol, was shown to improve oil recoveries possibly by changing the optimal salinity concentration of the formulation. The JF-2 biosurfactant lowered IFT by nearly 2 orders of magnitude compared to typical values of 28-29 mN/m. Increasing the salinity increased the IFT with or without 2,3-butanediol present. The lowest interfacial tension observed was 0.1 mN/m. Tertiary oil recovery experiments showed that biosurfactant solutions with concentrations ranging from 10 to 60 mg/l in the presence of 0.1 mM 2,3-butanediol and 1 g/l of partially hydrolyzed polyacrylamide (PHPA) recovered 10-40% of the residual oil present in Berea sandstone cores. When PHPA was used alone, about 10% of the residual oil was recovered. Thus, about 10% of the residual oil recovered in these experiments was due to the increase in viscosity of the displacing fluid. Little or no oil was recovered at

  10. Numerical Simulation of Natural Convection of a Nanofluid in an Inclined Heated Enclosure Using Two-Phase Lattice Boltzmann Method: Accurate Effects of Thermophoresis and Brownian Forces.

    PubMed

    Ahmed, Mahmoud; Eslamian, Morteza

    2015-12-01

    Laminar natural convection in differentially heated (β = 0°, where β is the inclination angle), inclined (β = 30° and 60°), and bottom-heated (β = 90°) square enclosures filled with a nanofluid is investigated, using a two-phase lattice Boltzmann simulation approach. The effects of the inclination angle on Nu number and convection heat transfer coefficient are studied. The effects of thermophoresis and Brownian forces which create a relative drift or slip velocity between the particles and the base fluid are included in the simulation. The effect of thermophoresis is considered using an accurate and quantitative formula proposed by the authors. Some of the existing results on natural convection are erroneous due to using wrong thermophoresis models or simply ignoring the effect. Here we show that thermophoresis has a considerable effect on heat transfer augmentation in laminar natural convection. Our non-homogenous modeling approach shows that heat transfer in nanofluids is a function of the inclination angle and Ra number. It also reveals some details of flow behavior which cannot be captured by single-phase models. The minimum heat transfer rate is associated with β = 90° (bottom-heated) and the maximum heat transfer rate occurs in an inclination angle which varies with the Ra number.

  11. Numerical Simulation of Natural Convection of a Nanofluid in an Inclined Heated Enclosure Using Two-Phase Lattice Boltzmann Method: Accurate Effects of Thermophoresis and Brownian Forces

    NASA Astrophysics Data System (ADS)

    Ahmed, Mahmoud; Eslamian, Morteza

    2015-07-01

    Laminar natural convection in differentially heated ( β = 0°, where β is the inclination angle), inclined ( β = 30° and 60°), and bottom-heated ( β = 90°) square enclosures filled with a nanofluid is investigated, using a two-phase lattice Boltzmann simulation approach. The effects of the inclination angle on Nu number and convection heat transfer coefficient are studied. The effects of thermophoresis and Brownian forces which create a relative drift or slip velocity between the particles and the base fluid are included in the simulation. The effect of thermophoresis is considered using an accurate and quantitative formula proposed by the authors. Some of the existing results on natural convection are erroneous due to using wrong thermophoresis models or simply ignoring the effect. Here we show that thermophoresis has a considerable effect on heat transfer augmentation in laminar natural convection. Our non-homogenous modeling approach shows that heat transfer in nanofluids is a function of the inclination angle and Ra number. It also reveals some details of flow behavior which cannot be captured by single-phase models. The minimum heat transfer rate is associated with β = 90° (bottom-heated) and the maximum heat transfer rate occurs in an inclination angle which varies with the Ra number.

  12. A Field-Scale Simulation of the Reversible Nanoparticle Adsorption for Enhancing Oil Recovery Using Hydrophilic Nanofluids

    NASA Astrophysics Data System (ADS)

    Cao, Liyuan

    In order to develop and apply nanotechnology in oil industry, nanoparticles transport in porous media has been studied in the past few years. Theoretical modeling were carried out to evaluate nanoparticle mobility and investigate nanoparticle retention mechanism. In this study, a simulator based on Ju and Fan's mathematical model was used to study nanoparticles transport in porous media on a reservoir scale. The simulator was verified with two simulation software, Eclipse from Schlumberger and MNM1D (Micro- and Nanoparticle transport Model in porous media in 1D geometry) developed by Tosco et al. Different injection scenarios were simulated: continuous injection, slug injection, and postflush. The effect of injection time, injection rate, and slug size on oil recovery were studied. The result discovered that when nanofluids flooding is used after water flooding as tertiary recovery method, early nanofluids injection will lead to higher oil recovery, but with more nanoparticle loss. Higher injection rate of nanofluids could help improve the flooding efficiency, but not the ultimate oil recovery for field development. Also, it can cause more nanoparticle loss. Brine water postflush is recommended when doing nanoflooding. It can significantly improve the recovery of nanoparticles, and for a homogeneous or heterogeneous reservoir, oil recovery is better compared to water flooding.

  13. Laboratory simulation of the successive aerobic and anaerobic degradation of oil products in oil-contaminated high-moor peat

    NASA Astrophysics Data System (ADS)

    Tolpeshta, I. I.; Trofimov, S. Ya.; Erkenova, M. I.; Sokolova, T. A.; Stepanov, A. L.; Lysak, L. V.; Lobanenkov, A. M.

    2015-03-01

    A model experiment has been performed on the successive aerobic and anaerobic degradation of oil products in samples of oil-contaminated peat sampled from a pine-subshrub-sphagnum bog near the Sutormin oilfield pipeline in the Yamal-Nenets autonomous district. During the incubation of oil-contaminated peat with lime and mineral fertilizers under complete flooding, favorable conditions are created for the aerobic oxidation of oil products at the beginning of the experiment and, as the redox potential decreases, for the anaerobic degradation of oil products conjugated with the reduction of N5+ and S+6 and methanogenesis. From the experimental data on the dynamics of the pH; Eh; and the NO{3/-}, NO{2/-}, and SO{4/2-} concentrations in the liquid phase of the samples, it has been found that denitrifiers significantly contributed to the biodegradation of oil products under the experimental conditions. After the end of the experiment, the content of oil products in the contaminated samples decreased by 21-26%.

  14. A technique for evaluating the oil/heavy-oil viscosity changes under ultrasound in a simulated porous medium.

    PubMed

    Hamidi, Hossein; Mohammadian, Erfan; Junin, Radzuan; Rafati, Roozbeh; Manan, Mohammad; Azdarpour, Amin; Junid, Mundzir

    2014-02-01

    Theoretically, Ultrasound method is an economical and environmentally friendly or "green" technology, which has been of interest for more than six decades for the purpose of enhancement of oil/heavy-oil production. However, in spite of many studies, questions about the effective mechanisms causing increase in oil recovery still existed. In addition, the majority of the mechanisms mentioned in the previous studies are theoretical or speculative. One of the changes that could be recognized in the fluid properties is viscosity reduction due to radiation of ultrasound waves. In this study, a technique was developed to investigate directly the effect of ultrasonic waves (different frequencies of 25, 40, 68 kHz and powers of 100, 250, 500 W) on viscosity changes of three types of oil (Paraffin oil, Synthetic oil, and Kerosene) and a Brine sample. The viscosity calculations in the smooth capillary tube were based on the mathematical models developed from the Poiseuille's equation. The experiments were carried out for uncontrolled and controlled temperature conditions. It was observed that the viscosity of all the liquids was decreased under ultrasound in all the experiments. This reduction was more significant for uncontrolled temperature condition cases. However, the reduction in viscosity under ultrasound was higher for lighter liquids compare to heavier ones. Pressure difference was diminished by decreasing in the fluid viscosity in all the cases which increases fluid flow ability, which in turn aids to higher oil recovery in enhanced oil recovery (EOR) operations. Higher ultrasound power showed higher liquid viscosity reduction in all the cases. Higher ultrasound frequency revealed higher and lower viscosity reduction for uncontrolled and controlled temperature condition experiments, respectively. In other words, the reduction in viscosity was inversely proportional to increasing the frequency in temperature controlled experiments. It was concluded that cavitation

  15. Finger Thickening during Extra-Heavy Oil Waterflooding: Simulation and Interpretation Using Pore-Scale Modelling

    PubMed Central

    Bondino, Igor; Hamon, Gerald

    2017-01-01

    Although thermal methods have been popular and successfully applied in heavy oil recovery, they are often found to be uneconomic or impractical. Therefore, alternative production protocols are being actively pursued and interesting options include water injection and polymer flooding. Indeed, such techniques have been successfully tested in recent laboratory investigations, where X-ray scans performed on homogeneous rock slabs during water flooding experiments have shown evidence of an interesting new phenomenon–post-breakthrough, highly dendritic water fingers have been observed to thicken and coalesce, forming braided water channels that improve sweep efficiency. However, these experimental studies involve displacement mechanisms that are still poorly understood, and so the optimization of this process for eventual field application is still somewhat problematic. Ideally, a combination of two-phase flow experiments and simulations should be put in place to help understand this process more fully. To this end, a fully dynamic network model is described and used to investigate finger thickening during water flooding of extra-heavy oils. The displacement physics has been implemented at the pore scale and this is followed by a successful benchmarking exercise of the numerical simulations against the groundbreaking micromodel experiments reported by Lenormand and co-workers in the 1980s. A range of slab-scale simulations has also been carried out and compared with the corresponding experimental observations. We show that the model is able to replicate finger architectures similar to those observed in the experiments and go on to reproduce and interpret, for the first time to our knowledge, finger thickening following water breakthrough. We note that this phenomenon has been observed here in homogeneous (i.e. un-fractured) media: the presence of fractures could be expected to exacerbate such fingering still further. Finally, we examine the impact of several system

  16. TU-EF-204-01: Accurate Prediction of CT Tube Current Modulation: Estimating Tube Current Modulation Schemes for Voxelized Patient Models Used in Monte Carlo Simulations

    SciTech Connect

    McMillan, K; Bostani, M; McNitt-Gray, M; McCollough, C

    2015-06-15

    Purpose: Most patient models used in Monte Carlo-based estimates of CT dose, including computational phantoms, do not have tube current modulation (TCM) data associated with them. While not a problem for fixed tube current simulations, this is a limitation when modeling the effects of TCM. Therefore, the purpose of this work was to develop and validate methods to estimate TCM schemes for any voxelized patient model. Methods: For 10 patients who received clinically-indicated chest (n=5) and abdomen/pelvis (n=5) scans on a Siemens CT scanner, both CT localizer radiograph (“topogram”) and image data were collected. Methods were devised to estimate the complete x-y-z TCM scheme using patient attenuation data: (a) available in the Siemens CT localizer radiograph/topogram itself (“actual-topo”) and (b) from a simulated topogram (“sim-topo”) derived from a projection of the image data. For comparison, the actual TCM scheme was extracted from the projection data of each patient. For validation, Monte Carlo simulations were performed using each TCM scheme to estimate dose to the lungs (chest scans) and liver (abdomen/pelvis scans). Organ doses from simulations using the actual TCM were compared to those using each of the estimated TCM methods (“actual-topo” and “sim-topo”). Results: For chest scans, the average differences between doses estimated using actual TCM schemes and estimated TCM schemes (“actual-topo” and “sim-topo”) were 3.70% and 4.98%, respectively. For abdomen/pelvis scans, the average differences were 5.55% and 6.97%, respectively. Conclusion: Strong agreement between doses estimated using actual and estimated TCM schemes validates the methods for simulating Siemens topograms and converting attenuation data into TCM schemes. This indicates that the methods developed in this work can be used to accurately estimate TCM schemes for any patient model or computational phantom, whether a CT localizer radiograph is available or not

  17. A probabilistic description of the wind over Liverpool Bay with application to oil spill simulations

    NASA Astrophysics Data System (ADS)

    Elliott, A. J.

    2004-12-01

    Surface winds from the UK Meteorological Office mesoscale (12 km grid) atmospheric model have been used to define the wind at a location in Liverpool Bay during 1997-2001. Winds from the SW (centred on 240°) with a speed of about 10 m/s (20 knots) were the most frequent, although weaker winds from the SE were also common. The wind spectra were red in character and showed no evidence for a peak at the synoptic (2-5 day) time scale; however, a zero-up-crossing analysis suggested a dominant periodicity at 3.1 days, and at this time scale the winds were spatially coherent over a distance of 300 km. A wind direction transition matrix was derived to quantify the probability with which the wind changed between two specified directions. This information was then used with an estimate of the mean duration of a wind event to compute a stochastic wind time series that contained a similar energy level, periodicity, and direction variability to the archived wind data. The archived and stochastic winds were then used in 1000 oil spill contingency simulations during which estimates of the mean and minimum times taken for oil to reach the coastline, and the percentage of the oil impacting selected sites were computed. The stochastic winds provided more realistic results, when compared against those derived using the wind archive, than those obtained using a wind rose representation of the winds. The derivation and use of a stochastic wind time series has application to a range of modelling studies.

  18. A simulation research on evaluation of development in shale oil reservoirs by near-miscible CO2 flooding

    NASA Astrophysics Data System (ADS)

    Lai, Fengpeng; Li, Zhiping; Fu, Yingkun; Yang, Zhihao; Li, Hong

    2015-08-01

    Shale oil is a key resource that could mitigate the impending energy shortage in the future. Despite its abundance in China, studies on shale oil are still at the preliminary stage. Shale oil development through CO2 flooding has been successfully implemented in the United States. Therefore, the mechanics of CO2 flooding in shale oil reservoirs should be investigated. This study applies a simulation method to evaluate the development efficiency of CO2 flooding in shale oil reservoirs. Near-miscible CO2 flooding can effectively develop shale oil. After 20 years, recovery could improve by up to 9.56% as a result of depletion development under near-miscible CO2 flooding with 0.5% pore volume gas injection. Horizontal well injection is better than vertical well injection in terms of sweep efficiency and recovery. Cyclic gas injection is superior to continuous gas injection because the former reduces gas channelling. Thus, the use of horizontal wells with near-miscible cyclic gas injections has the potential to effectively develop shale oil reservoirs.

  19. Simulation of aerobic and anaerobic biodegradation processes at a crude oil spill site

    USGS Publications Warehouse

    Essaid, Hedeff I.; Bekins, Barbara A.; Godsy, E. Michael; Warren, Ean; Baedecker, Mary Jo; Cozzarelli, Isabelle M.

    1995-01-01

    A two-dimensional, multispecies reactive solute transport model with sequential aerobic and anaerobic degradation processes was developed and tested. The model was used to study the field-scale solute transport and degradation processes at the Bemidji, Minnesota, crude oil spill site. The simulations included the biodegradation of volatile and nonvolatile fractions of dissolved organic carbon by aerobic processes, manganese and iron reduction, and methanogenesis. Model parameter estimates were constrained by published Monod kinetic parameters, theoretical yield estimates, and field biomass measurements. Despite the considerable uncertainty in the model parameter estimates, results of simulations reproduced the general features of the observed groundwater plume and the measured bacterial concentrations. In the simulation, 46% of the total dissolved organic carbon (TDOC) introduced into the aquifer was degraded. Aerobic degradation accounted for 40% of the TDOC degraded. Anaerobic processes accounted for the remaining 60% of degradation of TDOC: 5% by Mn reduction, 19% by Fe reduction, and 36% by methanogenesis. Thus anaerobic processes account for more than half of the removal of DOC at this site.

  20. Biodegradation of marine surface floating crude oil in a large-scale field simulated experiment.

    PubMed

    Bao, Mutai; Sun, Peiyan; Yang, Xiaofei; Wang, Xinping; Wang, Lina; Cao, Lixin; Li, Fujuan

    2014-08-01

    Biodegradation of marine surface floating crude oil with hydrocarbon degrading bacteria, rhamnolipid biosurfactants, and nutrients was carried out by a large-scale field simulated experiment in this paper. After a 103 day experiment, for n-alkanes, the maximum biodegradation rate reached 71% and the results showed hydrocarbon degrading bacteria, rhamnolipid biosurfactants, and nutrients have a comprehensive effect. It also showed that rhamnolipid biosurfactants could shorten the biodegradation time through an emulsifying function; the nutrients could greatly increase the biodegradation rate by promoting HDB production. For PAHs, the chrysene series had higher weathering resistance. For the same series, the weathering resistance ability is C1- < C2- < C3- < C4-. After 53 days, no comprehensive effect occurred and more biodegradation was found for different n-alkanes in two pools which only had added rhamnolipid biosurfactants or nutrients, respectively. Except for C14, C15 and C16 sesquiterpanes, most of the steranes and terpanes had high antibiodegradability.

  1. Simulation Oil Background Pollution of the Caspian Sea Based on Remote Sensing Data

    NASA Astrophysics Data System (ADS)

    Lebedev, Sergey

    At present time scales of oil pollution of the seas constantly increase. Such critical juncture of things is characteristic for the Caspian Sea at the expense of increase of oil extraction and transportation. However pure oil (crude oil) is rare. Most spills are formed as a result of an oil tanker cracking or an oil platform problem. Oil products or surfactants (synthetic surfactants) are the most common reasons for the creation of oil slicks of man-made origin. These products get into the sea in most different ways: with river runoff, with ship wastes, with sewage water. A separate issue is the oil seeping from natural mud springs on the sea bottom - it forms thin oil films that, generally speaking, are not man-made pollutions. Nonetheless, they contribute to the total level of pollution, especially on the south-western part of the Caspian Sea. Remote radar sensing from space (SAR imagery) allow conducting diagnostics and observation of movement and transformation of oil pollution on sea surface. However they do not give an estimation of oil spills influence on values of oil content in water and the forecast of their transfer. In the report the model of distribution, destruction, evaporation and sedimentation of oil hydrocarbons is suggested for time interval 1993-2007. Oil hydrocarbons pollutions values of river runoff (more than 90This study was supported by the grant of the Russian Foundation for Basic Research (06-05-64871), and by the INTAS Project "ALTImetry for Coastal REgions" (ALTICORE).

  2. THE EFFECT OF AMOUNT OF CRUDE OIL ON EXTENT OF ITS BIODEGRADATION IN OPEN WATER- AND SANDY BEACH- LABORATORY SIMULATIONS

    EPA Science Inventory

    Lepo, J.E., C. R. Cripe, J.L. Kavanaugh, S. Zhang and G.P. Norton. 2003. Effect of Amount of Crude Oil on Extent of Its Biodegradation in Open Water- and Sandy Beach-Laboratory Simulations. Environ. Technol. 24(10):1291-1302. (ERL,GB 1109).

    We examined the biodegradation ...

  3. Research Capabilities for Oil-Free Turbomachinery Expanded by New Rotordynamic Simulator Facility

    NASA Technical Reports Server (NTRS)

    Howard, Samuel A.

    2004-01-01

    A new test rig has been developed for simulating high-speed turbomachinery shafting using Oil-Free foil air bearing technology. Foil air journal bearings are self-acting hydrodynamic bearings with a flexible inner sleeve surface using air as the lubricant. These bearings have been used in turbomachinery, primarily air cycle machines, for the past four decades to eliminate the need for oil lubrication. More recently, interest has been growing in applying foil bearings to aircraft gas turbine engines. They offer potential improvements in efficiency and power density, decreased maintenance costs, and other secondary benefits. The goal of applying foil air bearings to aircraft gas turbine engines prompted the fabrication of this test rig. The facility enables bearing designers to test potential bearing designs with shafts that simulate the rotating components of a target engine without the high cost of building actual flight hardware. The data collected from this rig can be used to make changes to the shaft and bearings in subsequent design iterations. The rest of this article describes the new test rig and demonstrates some of its capabilities with an initial simulated shaft system. The test rig has two support structures, each housing a foil air journal bearing. The structures are designed to accept any size foil journal bearing smaller than 63 mm (2.5 in.) in diameter. The bearing support structures are mounted to a 91- by 152-cm (3- by 5-ft) table and can be separated by as much as 122 cm (4 ft) and as little as 20 cm (8 in.) to accommodate a wide range of shaft sizes. In the initial configuration, a 9.5-cm (3.75-in.) impulse air turbine drives the test shaft. The impulse turbine, as well as virtually any number of "dummy" compressor and turbine disks, can be mounted on the shaft inboard or outboard of the bearings. This flexibility allows researchers to simulate various engine shaft configurations. The bearing support structures include a unique bearing mounting

  4. Measurement and simulation of partial discharge in oil impregnated pressboard with an electrical aging process

    NASA Astrophysics Data System (ADS)

    Li, Junhao; Si, Wenrong; Yao, Xiu; Li, Yanming

    2009-10-01

    The continuous test on oil impregnated pressboard insulation with internal void defect was developed and the phase resolved partial discharge (PRPD) pattern of partial discharge (PD) signals during the electrical aging process was measured. Two different void structures which have different void volume were used in this experiment. It shows that the PD pattern could be classified into five stages and a great diversity in the first four stages is observed. The larger void volume leads to larger PD magnitude. The computer numerical simulation model which is based on a physical discharge process was used and the causes of PD pattern change were interpreted by comparison with computer numerical simulation results. The initial values and change tendency of gas pressure and surface conductivity were determined through experiment. The model parameters in different stages have been studied as well as the insight into the physical changes in the void during electrical aging. The results provide rules for the identification of the electrical aging stage through the partial discharge measurements.

  5. Complexation Enhancement Drives Water-to-Oil Ion Transport: A Simulation Study.

    PubMed

    Qiao, Baofu; Ferru, Geoffroy; Ellis, Ross J

    2017-01-05

    We address the structures and energetics of ion solvation in aqueous and organic solutions to understand liquid-liquid ion transport. Atomistic molecular dynamics (MD) simulations with polarizable force field are performed to study the coordination transformations driving lanthanide (Ln(III) ) and nitrate ion transport between aqueous and an alkylamide-oil solution. An enhancement of the coordination behavior in the organic phase is achieved in contrast with the aqueous solution. In particular, the coordination number of Ce(3+) increases from 8.9 in the aqueous to 9.9 in the organic solutions (from 8 in the aqueous to 8.8 in the organic systems for Yb(3+) ). Moreover, the local coordination environment changes dramatically. Potential of mean force calculations show that the Ln(III) -ligand coordination interaction strengths follow the order of Ln(III) -nitrate>Ln(III) -water>Ln(III) -DMDBTDMA. They increase 2-fold in the lipophilic environment in comparison to the aqueous phase, and we attribute this to the shedding of the outer solvation shell. Our findings highlight the importance of outer sphere interactions on the competitive solvation energetics that cause ions to migrate between immiscible phases; an essential ingredient for advancing important applications such as rare earth metal separations. Some open questions in simulating the coordination behavior of heavy metals are also addressed.

  6. Multimodal reservoir porosity simulation: An application to a tight oil reservoir

    NASA Astrophysics Data System (ADS)

    Sauvageau, Mathieu; Gloaguen, Erwan; Claprood, Maxime; Lefebvre, René; Bêche, Martin

    2014-08-01

    At appraisal stage of a reservoir characterization, a key step is the inference of the reservoir static properties, such as porosity. In this study, we present a new nested workflow that optimally integrates 3D acoustic impedance and geophysical log data for the estimation of the spatial distribution of reservoir porosity, which is applied to a tight sandstone oil reservoir located in Quebec, Canada. In this workflow, 3D seismic is the main source of spatial information. First, the statistical petrophysical relationship between acoustic impedance and reservoir porosity is established using collocated geophysical log data. Second, a conventional least-squares post-stack inversion of the impedance is computed on the seismic grid. The fit between well log data and numerically computed traces was found to be inaccurate. This leads to the third step, involving a post-stack stochastic impedance inversion using the same seismic traces not only to improve well and trace fit but also to estimate the uncertainty on the inverted impedances. Finally, a Bayesian simulation algorithm adapted to the estimation of a multi-modal porosity distribution is used to simulate realizations of porosity over the entire seismic grid. Results show that the over-smoothing effect of least-squares inversion has a major impact on resource evaluation, especially by not reproducing the high-valued tail of the porosity distribution. The adapted Bayesian algorithm combined with stochastic impedance inversion thus allows a better reproduction of the porosity distribution and improves estimation of the geophysical and geological uncertainty.

  7. Feasibility of steam injection process in a thin, low-permeability heavy oil reservoir of Arkansas -- a numerical simulation study

    SciTech Connect

    Sarkar, A.K.; Sarathi, P.S.

    1993-12-01

    This report details the findings of an in-depth study undertaken to assess the viability of the steam injection process in the heavy oil bearing Nacatoch sands of Arkansas. Published screening criteria and DOE`s steamflood predictive models were utilized to screen and select reservoirs for further scrutiny. Although, several prospects satisfied the steam injection screening criteria, only a single candidate was selected for detailed simulation studies. The selection was based on the availability of needed data for simulation and the uniqueness of the reservoir. The reservoir investigated is a shallow, thin, low-permeability reservoir with low initial oil saturation and has an underlying water sand. The study showed that the reservoir will respond favorably to steamdrive, but not to cyclic steaming. Steam stimulation, however, is necessary to improve steam injectivity during subsequent steamdrive. Further, in such marginal heavy oil reservoirs (i.e., reservoir characterized by thin pay zone and low initial oil saturation) conventional steamdrive (i.e., steam injection using vertical wells) is unlikely to be economical, and nonconventional methods must be utilized. It was found that the use of horizontal injectors and horizontal producers significantly improved the recovery and oil-steam ratio and improved the economics. It is recommended that the applicability of horizontal steam injection technology in this reservoir be further investigated.

  8. Numerical simulation study on drift and diffusion of Dalian Oil Spill

    NASA Astrophysics Data System (ADS)

    Li, Huan; Li, Yan; Li, Cheng; Wang, Guosong; Xu, Shanshan; Song, Jun; Zhang, Song

    2017-01-01

    Marine oil spill has long-term harmful impact on both marine ecosystem and economics. Recently as the increase in China’s rapid economic growth, the demand for energy is increasing, leading to the high risk of marine oil spill pollution. So it is essential that we improve emergency response capacity in marine oil spill pollution and develop oil spill prediction and early warning in China. In this study, based on Lagrange tracking approach, we have developed an oil spill model. Combining with high-resolution meteorological and hydrodynamic model, the oil spill model was applied to predict the drift and diffusion processes of Dalian oil spill. The predicted results are well agreed with the analyzed synthetic aperture radar (SAR) image, and provided effective oil spill behaviour prediction to Shandong Maritime Safety Administration.

  9. Development of CFD-Based Simulation Tools for In-Situ Thermal Processing of Oil Shale/Sands

    SciTech Connect

    None, None

    2012-02-01

    In our research, we are taking the novel approach of developing and applying high performance computing, computational fluid dynamics (CFD)-based simulation tools to a modified in-situ process for production of oil from oil shale. The simulation tools being developed capture the relevant physical processes and data from a large-scale system. The modified in-situ application is a pilot-scale heat transfer process inside Red Leaf Resources EcoShale capsule. We demonstrate the need to understand fluid flow behavior in the convective channels of the rubblized shale bed as convective heating greatly decreases the time required to heat the oil shale to the production temperature when compared with conductive heating alone. We have developed and implemented a geometry creation strategy for a representative section of the EcoShale capsule, developed a meshing approach to deal with the complicated geometry and produce a well-behaved mesh, analyzed the effects of boundary conditions on the simulation results, and devised a new operator splitting solution algorithm that reduces computational costs by taking advantage of the differing convective and conductive time scales occurring in the simulation. These simulation tools can be applied to a wide range of processes involving convective fluid flow heating in rubblized beds.

  10. Anesthetic Effect and Physiological Response in Olive Flounder (Paralichthys olivaceus) to Clove Oil in a Simulated Transport Experiment

    PubMed Central

    Gil, Hyun Woo; Ko, Min Gyun; Lee, Tae Ho; Park, In-Seok; Kim, Dong Soo

    2016-01-01

    The optimum concentrations of clove oil as an anesthetic for olive flounder (Paralichthys olivaceus) and the stress response of the fish to clove oil anesthesia were determined over a range of water temperatures, and investigated in a simulated transport experiment using analysis of various water and physiological parameters. While the time for induction of anesthesia decreased significantly as both the concentration of clove oil and water temperature increased, the recovery time increased significantly (P<0.05). The plasma cortisol concentration in fish at each temperature increased significantly up to 12 h following exposure (P<0.05), then decreased to 48 h (P<0.05). The DO dissolved oxygen concentrations, pH values, and the fish respiratory frequencies decreased over 6 h following exposure to clove oil in all experimental groups (P<0.05), whereas the NH4 + and CO2concentrations in all experimental groups increased up to 6 h (P<0.05). The pH values and DO concentrations increased with increasing clove oil concentration (P<0.05) in the 6 h following exposure, and the CO2 and NH4 + concentrations and the respiratory frequencies decreased with increasing clove oil concentration (P<0.05). The results of this experiment suggest that clove oil reduced the metabolic activity of olive flounder, thus reducing NH4 + excretion and O2 consumption. In conclusion, clove oil appears to be a cost-effective and efficient anesthetic that is safe for use and non-toxic to the fish and users. Its use provides the potential for improved transportation of olive flounder. PMID:27796007

  11. Anesthetic Effect and Physiological Response in Olive Flounder (Paralichthys olivaceus) to Clove Oil in a Simulated Transport Experiment.

    PubMed

    Gil, Hyun Woo; Ko, Min Gyun; Lee, Tae Ho; Park, In-Seok; Kim, Dong Soo

    2016-09-01

    The optimum concentrations of clove oil as an anesthetic for olive flounder (Paralichthys olivaceus) and the stress response of the fish to clove oil anesthesia were determined over a range of water temperatures, and investigated in a simulated transport experiment using analysis of various water and physiological parameters. While the time for induction of anesthesia decreased significantly as both the concentration of clove oil and water temperature increased, the recovery time increased significantly (P<0.05). The plasma cortisol concentration in fish at each temperature increased significantly up to 12 h following exposure (P<0.05), then decreased to 48 h (P<0.05). The DO dissolved oxygen concentrations, pH values, and the fish respiratory frequencies decreased over 6 h following exposure to clove oil in all experimental groups (P<0.05), whereas the NH4(+) and CO2concentrations in all experimental groups increased up to 6 h (P<0.05). The pH values and DO concentrations increased with increasing clove oil concentration (P<0.05) in the 6 h following exposure, and the CO2 and NH4(+) concentrations and the respiratory frequencies decreased with increasing clove oil concentration (P<0.05). The results of this experiment suggest that clove oil reduced the metabolic activity of olive flounder, thus reducing NH4(+) excretion and O2 consumption. In conclusion, clove oil appears to be a cost-effective and efficient anesthetic that is safe for use and non-toxic to the fish and users. Its use provides the potential for improved transportation of olive flounder.

  12. Melt-rock reaction in the asthenospheric mantle: Perspectives from high-order accurate numerical simulations in 2D and 3D

    NASA Astrophysics Data System (ADS)

    Tirupathi, S.; Schiemenz, A. R.; Liang, Y.; Parmentier, E.; Hesthaven, J.

    2013-12-01

    The style and mode of melt migration in the mantle are important to the interpretation of basalts erupted on the surface. Both grain-scale diffuse porous flow and channelized melt migration have been proposed. To better understand the mechanisms and consequences of melt migration in a heterogeneous mantle, we have undertaken a numerical study of reactive dissolution in an upwelling and viscously deformable mantle where solubility of pyroxene increases upwards. Our setup is similar to that described in [1], except we use a larger domain size in 2D and 3D and a new numerical method. To enable efficient simulations in 3D through parallel computing, we developed a high-order accurate numerical method for the magma dynamics problem using discontinuous Galerkin methods and constructed the problem using the numerical library deal.II [2]. Linear stability analyses of the reactive dissolution problem reveal three dynamically distinct regimes [3] and the simulations reported in this study were run in the stable regime and the unstable wave regime where small perturbations in porosity grows periodically. The wave regime is more relevant to melt migration beneath the mid-ocean ridges but computationally more challenging. Extending the 2D simulations in the stable regime in [1] to 3D using various combinations of sustained perturbations in porosity at the base of the upwelling column (which may result from a viened mantle), we show the geometry and distribution of dunite channel and high-porosity melt channels are highly correlated with inflow perturbation through superposition. Strong nonlinear interactions among compaction, dissolution, and upwelling give rise to porosity waves and high-porosity melt channels in the wave regime. These compaction-dissolution waves have well organized but time-dependent structures in the lower part of the simulation domain. High-porosity melt channels nucleate along nodal lines of the porosity waves, growing downwards. The wavelength scales

  13. A novel stress-accurate FE technology for highly non-linear analysis with incompressibility constraint. Application to the numerical simulation of the FSW process

    NASA Astrophysics Data System (ADS)

    Chiumenti, M.; Cervera, M.; Agelet de Saracibar, C.; Dialami, N.

    2013-05-01

    In this work a novel finite element technology based on a three-field mixed formulation is presented. The Variational Multi Scale (VMS) method is used to circumvent the LBB stability condition allowing the use of linear piece-wise interpolations for displacement, stress and pressure fields, respectively. The result is an enhanced stress field approximation which enables for stress-accurate results in nonlinear computational mechanics. The use of an independent nodal variable for the pressure field allows for an adhoc treatment of the incompressibility constraint. This is a mandatory requirement due to the isochoric nature of the plastic strain in metal forming processes. The highly non-linear stress field typically encountered in the Friction Stir Welding (FSW) process is used as an example to show the performance of this new FE technology. The numerical simulation of the FSW process is tackled by means of an Arbitrary-Lagrangian-Eulerian (ALE) formulation. The computational domain is split into three different zones: the work.piece (defined by a rigid visco-plastic behaviour in the Eulerian framework), the pin (within the Lagrangian framework) and finally the stirzone (ALE formulation). A fully coupled thermo-mechanical analysis is introduced showing the heat fluxes generated by the plastic dissipation in the stir-zone (Sheppard rigid-viscoplastic constitutive model) as well as the frictional dissipation at the contact interface (Norton frictional contact model). Finally, tracers have been implemented to show the material flow around the pin allowing a better understanding of the welding mechanism. Numerical results are compared with experimental evidence.

  14. Characterization of naturally occurring radioactive materials in Libyan oil pipe scale using a germanium detector and Monte Carlo simulation

    NASA Astrophysics Data System (ADS)

    Habib, A. S.; Shutt, A. L.; Regan, P. H.; Matthews, M. C.; Alsulaiti, H.; Bradley, D. A.

    2014-02-01

    Radioactive scale formation in various oil production facilities is acknowledged to pose a potential significant health and environmental issue. The presence of such an issue in Libyan oil fields was recognized as early as 1998. The naturally occurring radioactive materials (NORM) involved in this matter are radium isotopes (226Ra and 228Ra) and their decay products, precipitating into scales formed on the surfaces of production equipment. A field trip to a number of onshore Libyan oil fields has indicated the existence of elevated levels of specific activity in a number of locations in some of the more mature oil fields. In this study, oil scale samples collected from different parts of Libya have been characterized using gamma spectroscopy through use of a well shielded HPGe spectrometer. To avoid potential alpha-bearing dust inhalation and in accord with safe working practices at this University, the samples, contained in plastic bags and existing in different geometries, are not permitted to be opened. MCNP, a Monte Carlo simulation code, is being used to simulate the spectrometer and the scale samples in order to obtain the system absolute efficiency and then to calculate sample specific activities. The samples are assumed to have uniform densities and homogeneously distributed activity. Present results are compared to two extreme situations that were assumed in a previous study: (i) with the entire activity concentrated at a point on the sample surface proximal to the detector, simulating the sample lowest activity, and; (ii) with the entire activity concentrated at a point on the sample surface distal to the detector, simulating the sample highest activity.

  15. Quick stimulation of Alcanivorax sp. by bioemulsificant EPS2003 on microcosm oil spill simulation

    PubMed Central

    Cappello, Simone; Genovese, Maria; Denaro, Renata; Santisi, Santina; Volta, Anna; Bonsignore, Martina; Mancini, Giuseppe; Giuliano, Laura; Genovese, Lucrezia; Yakimov, Michail M.

    2014-01-01

    Oil spill microcosms experiments were carried out to evaluate the effect of bioemulsificant exopolysaccharide (EPS2003) on quick stimulation of hydrocarbonoclastic bacteria. Early hours of oil spill, were stimulated using an experimental seawater microcosm, supplemented with crude oil and EPS2003 (SW+OIL+EPS2003); this system was monitored for 2 days and compared to control microcosm (only oil-polluted seawater, SW+OIL). Determination of bacterial abundance, heterotrophic cultivable and hydrocarbon-degrading bacteria were carried out. Community composition of marine bacterioplankton was determined by 16S rRNA gene clone libraries. Data obtained indicated that bioemulsificant addition stimulated an increase of total bacterial abundance and, in particular, selection of bacteria related to Alcanivorax genus; confirming that EPS2003 could be used for the dispersion of oil slicks and could stimulate the selection of marine hydrocarbon degraders thus increasing bioremediation process. PMID:25763036

  16. Cracking of simulated oil refinery off-gas over a coal char, petroleum coke, and quartz

    SciTech Connect

    Yuan Zhang; Jin-hu Wu; Dong-ke Zhang

    2008-03-15

    The cracking of oil refinery off-gas, simulated with a gas mixture containing methane (51%), ethylene (21.4%), ethane (21.1%), and propane (6.5%), over a coal char, petroleum coke, and quartz, respectively, has been studied in a fixed bed reactor. The experiments were performed at temperatures between 850 and 1000{sup o}C and at atmospheric pressure. The results show that the conversions of all species considered increased with increasing temperature. Ethane and propane completely decomposed over all three bed materials in the temperature range investigated. However, the higher initial conversion rates of methane and ethylene cracking at all temperatures were observed only over the coal char and not on the petroleum coke and quartz, indicating a significant catalytic effect of the coal char on methane and ethylene cracking. Methane and ethylene conversions decreased with reaction time due to deactivation of the coal char by carbon deposition on the char surface and, in the later stage of a cracking experiment, became negative, suggesting that methane and ethylene had been formed during the cracking of ethane and propane. 16 refs., 13 figs., 2 tabs.

  17. Modeling of hydrologic conditions and solute movement in processed oil shale waste embankments under simulated climatic conditions

    SciTech Connect

    Turner, J.P.; Hasfurther, V.

    1992-05-04

    The scope of the research program and the continuation is to study interacting hydrologic, geotechnical, and chemical factors affecting the behavior and disposal of combusted processed oil shale. The research combines bench-scale testing with large scale research sufficient to describe commercial scale embankment behavior. The large scale approach was accomplished by establishing five lysimeters, each 7.3 [times] 3.0 [times] 3.0 m deep, filled with processed oil shale that has been retorted and combusted by the Lurgi-Ruhrgas (Lurgi) process. Approximately 400 tons of Lurgi processed oil shale waste was provided by Rio Blanco Oil Shale Co., Inc. (RBOSC) through a separate cooperative agreement with the University of Wyoming (UW) to carry out this study. Three of the lysimeters were established at the RBOSC Tract C-a in the Piceance Basin of Colorado. Two lysimeters were established in the Environmental Simulation Laboratory (ESL) at UW. The ESL was specifically designed and constructed so that a large range of climatic conditions could be physically applied to the processed oil shale which was filled in the lysimeter cells.

  18. Source attribution of methane emissions from global oil and gas production: results of bottom-up simulations over three decades

    NASA Astrophysics Data System (ADS)

    Höglund-Isaksson, Lena

    2016-04-01

    Existing bottom-up emission inventories of historical methane and ethane emissions from global oil and gas systems do not well explain year-on-year variations estimated by top-down models from atmospheric measurements. This paper develops a bottom-up methodology which allows for country- and year specific source attribution of methane and ethane emissions from global oil and natural gas production for the period 1980 to 2012. The analysis rests on country-specific simulations of associated gas flows which are converted into methane and ethane emissions. The associated gas flows are constructed from country-specific information on oil and gas production and associated gas generation and recovery, and coupled with generic assumptions to bridge regional information gaps on the fractions of unrecovered associated gas that is vented instead of flared. Summing up emissions from associated gas flows with global estimates of emissions from unintended leakage and natural gas transmission and distribution, the resulting global emissions of methane and ethane from oil and gas systems are reasonably consistent with corresponding estimates from top-down models. Also revealed is that the fall of the Soviet Union in 1990 had a significant impact on methane and ethane emissions from global oil and gas systems.

  19. Design, fabrication, operation and Aspen simulation of oil shale pyrolysis and biomass gasification process using a moving bed downdraft reactor

    NASA Astrophysics Data System (ADS)

    Golpour, Hassan

    Energy is the major facilitator of the modern life. Every developed and developing economy requires access to advanced sources of energy to support its growth and prosperity. Declining worldwide crude oil reserves and increasing energy needs has focused attention on developing existing unconventional fossil fuels like oil shale and renewable resources such as biomass. Sustainable, renewable and reliable resources of domestically produced biomass comparing to wind and solar energy is a sensible motivation to establish a small-scale power plant using biomass as feed to supply electricity demand and heat for rural development. The work in Paper I focuses on the possibility of water pollution from spent oil shale which should be studied before any significant commercial production is attempted. In Paper II, the proposed Aspen models for oil shale pyrolysis is to identify the key process parameters for the reactor and optimize the rate of production of syncrude from oil shale. The work in Paper III focuses on (1) Design and operation of a vertical downdraft reactor, (2) Establishing an optimum operating methodology and parameters to maximize syngas production through process testing. Finally in Paper IV, a proposed Aspen model for biomass gasification simulates a real biomass gasification system discussed in Paper III.

  20. Macro-econometric model of the Nigerian economy: a simulated analysis of oil shocks in a development context

    SciTech Connect

    Usip, E.E.E.

    1984-01-01

    The precarious position of Nigeria in being a one-resource (oil) based economy in terms of revenue generation has become a major cause of concern for the experts and political pundits. In this study, the author seeks to explore further the empirical basis for this concern in two stages. First, a macro-econometric model of Nigeria was constructed and evaluated. The model highlights the various channels through which the oil sector influences the rest of the economy. Economic theory, econometric techniques, existing fund of knowledge in the practice, computer simulation, and the institutional framework of Nigeria were brought to bear upon the modeling process. In the second stage, the resulting simulation model was used to examine the sensitivity of the economy to the leading sector (oil) as well as the growth potential of Nigeria up to 1986. The crucial question that was addressed is: will the oil sector be able to support a continuing economic growth of Nigeria in the absence of policy initiatives to diversify the revenue base of the economy. Although the empirical findings are hypothetical, they do have far-reaching implications for Nigeria's growth prospects and political stability.

  1. A Monte Carlo simulation based two-stage adaptive resonance theory mapping approach for offshore oil spill vulnerability index classification.

    PubMed

    Li, Pu; Chen, Bing; Li, Zelin; Zheng, Xiao; Wu, Hongjing; Jing, Liang; Lee, Kenneth

    2014-09-15

    In this paper, a Monte Carlo simulation based two-stage adaptive resonance theory mapping (MC-TSAM) model was developed to classify a given site into distinguished zones representing different levels of offshore Oil Spill Vulnerability Index (OSVI). It consisted of an adaptive resonance theory (ART) module, an ART Mapping module, and a centroid determination module. Monte Carlo simulation was integrated with the TSAM approach to address uncertainties that widely exist in site conditions. The applicability of the proposed model was validated by classifying a large coastal area, which was surrounded by potential oil spill sources, based on 12 features. Statistical analysis of the results indicated that the classification process was affected by multiple features instead of one single feature. The classification results also provided the least or desired number of zones which can sufficiently represent the levels of offshore OSVI in an area under uncertainty and complexity, saving time and budget in spill monitoring and response.

  2. Potential application of oil-suspended particulate matter aggregates (OSA) on the remediation of reflective beaches impacted by petroleum: a mesocosm simulation.

    PubMed

    Silva, Carine S; de Oliveira, Olivia M C; Moreira, Icaro T A; Queiroz, Antonio F S; de Almeida, Marcos; Silva, Jessica V L; da Silva Andrade, Igor Oliveira

    2015-08-28

    This paper presents the oil-suspended particulate matter aggregate (OSA) resulted from the interaction of droplets of dispersed oil in a water column and particulate matter. This structure reduces the adhesion of oil on solid surfaces, promotes dispersion, and may accelerate degradation processes. The effects of the addition of fine sediments (clay + silt) on the formation of OSA, their impact on the dispersion and degradation of the oil, and their potential use in recovering reflective sandy beaches were evaluated in a mesoscale simulation model. Two simulations were performed (21 days), in the absence and presence of fine sediments, with four units in each simulation using oil from the Recôncavo Basin. The results showed that the use of fine sediment increased the dispersion of the oil in the water column up to four times in relation to the sandy sediment. There was no evidence of the transport of hydrocarbons in bottom sediments associated with fine sediments that would have accelerated the dispersion and degradation rates of the oil. Most of the OSA that formed in this process remained in the water column, where the degradation processes were more effective. Over the 21 days of simulation, we observed a 40 % reduction on average of the levels of saturated hydrocarbons staining the surface oil.

  3. Water content test for EOR crude simulates desalter

    SciTech Connect

    Duke, R.B. )

    1991-02-25

    Crude oil produced from enhanced oil recovery (EOR) projects employing micellar/polymer flooding can require an alternative test method for water content to the ASTM centrifuge test, or grindout procedure. The reason is that centrifuging cannot break the surfactant-stabilized emulsion. As an alternative, Marathon Oil Co. has developed a simulated desalter test (SDT) and necessary apparatus for the accurate evaluation of the quality of crude oil from such projects. Oil quality parameters such as basic sediment and water values are used almost universally for determining the acceptability of crude oil into pipeline or refinery systems.

  4. Simulation of scenarios of oil droplet formation from the Deepwater Horizon blowout.

    PubMed

    Zhao, Lin; Boufadel, Michel C; Adams, Eric; Socolofsky, Scott A; King, Thomas; Lee, Kenneth; Nedwed, Timothy

    2015-12-15

    Knowledge of the droplet size distribution (DSD) from the Deepwater Horizon (DWH) blowout is an important step in predicting the fate and transport of the released oil. Due to the absence of measurements of the DSD from the DWH incident, we considered herein hypothetical scenarios of releases that explore the realistic parameter space using a thoroughly calibrated DSD model, VDROP-J, and we attempted to provide bounds on the range of droplet sizes from the DWH blowout within 200 m of the wellhead. The scenarios include conditions without and with the presence of dispersants, different dispersant treatment efficiencies, live oil and dead oil properties, and varying oil flow rate, gas flow rate, and orifice diameter. The results, especially for dispersant-treated oil, are very different from recent modeling studies in the literature.

  5. The use of artificial neural network (ANN) for the prediction and simulation of oil degradation in wastewater by AOP.

    PubMed

    Mustafa, Yasmen A; Jaid, Ghydaa M; Alwared, Abeer I; Ebrahim, Mothana

    2014-06-01

    The application of advanced oxidation process (AOP) in the treatment of wastewater contaminated with oil was investigated in this study. The AOP investigated is the homogeneous photo-Fenton (UV/H2O2/Fe(+2)) process. The reaction is influenced by the input concentration of hydrogen peroxide H2O2, amount of the iron catalyst Fe(+2), pH, temperature, irradiation time, and concentration of oil in the wastewater. The removal efficiency for the used system at the optimal operational parameters (H2O2 = 400 mg/L, Fe(+2) = 40 mg/L, pH = 3, irradiation time = 150 min, and temperature = 30 °C) for 1,000 mg/L oil load was found to be 72%. The study examined the implementation of artificial neural network (ANN) for the prediction and simulation of oil degradation in aqueous solution by photo-Fenton process. The multilayered feed-forward networks were trained by using a backpropagation algorithm; a three-layer network with 22 neurons in the hidden layer gave optimal results. The results show that the ANN model can predict the experimental results with high correlation coefficient (R (2) = 0.9949). The sensitivity analysis showed that all studied variables (H2O2, Fe(+2), pH, irradiation time, temperature, and oil concentration) have strong effect on the oil degradation. The pH was found to be the most influential parameter with relative importance of 20.6%.

  6. An improved multilevel Monte Carlo method for estimating probability distribution functions in stochastic oil reservoir simulations

    DOE PAGES

    Lu, Dan; Zhang, Guannan; Webster, Clayton G.; ...

    2016-12-30

    In this paper, we develop an improved multilevel Monte Carlo (MLMC) method for estimating cumulative distribution functions (CDFs) of a quantity of interest, coming from numerical approximation of large-scale stochastic subsurface simulations. Compared with Monte Carlo (MC) methods, that require a significantly large number of high-fidelity model executions to achieve a prescribed accuracy when computing statistical expectations, MLMC methods were originally proposed to significantly reduce the computational cost with the use of multifidelity approximations. The improved performance of the MLMC methods depends strongly on the decay of the variance of the integrand as the level increases. However, the main challengemore » in estimating CDFs is that the integrand is a discontinuous indicator function whose variance decays slowly. To address this difficult task, we approximate the integrand using a smoothing function that accelerates the decay of the variance. In addition, we design a novel a posteriori optimization strategy to calibrate the smoothing function, so as to balance the computational gain and the approximation error. The combined proposed techniques are integrated into a very general and practical algorithm that can be applied to a wide range of subsurface problems for high-dimensional uncertainty quantification, such as a fine-grid oil reservoir model considered in this effort. The numerical results reveal that with the use of the calibrated smoothing function, the improved MLMC technique significantly reduces the computational complexity compared to the standard MC approach. Finally, we discuss several factors that affect the performance of the MLMC method and provide guidance for effective and efficient usage in practice.« less

  7. An improved multilevel Monte Carlo method for estimating probability distribution functions in stochastic oil reservoir simulations

    SciTech Connect

    Lu, Dan; Zhang, Guannan; Webster, Clayton G.; Barbier, Charlotte N.

    2016-12-30

    In this paper, we develop an improved multilevel Monte Carlo (MLMC) method for estimating cumulative distribution functions (CDFs) of a quantity of interest, coming from numerical approximation of large-scale stochastic subsurface simulations. Compared with Monte Carlo (MC) methods, that require a significantly large number of high-fidelity model executions to achieve a prescribed accuracy when computing statistical expectations, MLMC methods were originally proposed to significantly reduce the computational cost with the use of multifidelity approximations. The improved performance of the MLMC methods depends strongly on the decay of the variance of the integrand as the level increases. However, the main challenge in estimating CDFs is that the integrand is a discontinuous indicator function whose variance decays slowly. To address this difficult task, we approximate the integrand using a smoothing function that accelerates the decay of the variance. In addition, we design a novel a posteriori optimization strategy to calibrate the smoothing function, so as to balance the computational gain and the approximation error. The combined proposed techniques are integrated into a very general and practical algorithm that can be applied to a wide range of subsurface problems for high-dimensional uncertainty quantification, such as a fine-grid oil reservoir model considered in this effort. The numerical results reveal that with the use of the calibrated smoothing function, the improved MLMC technique significantly reduces the computational complexity compared to the standard MC approach. Finally, we discuss several factors that affect the performance of the MLMC method and provide guidance for effective and efficient usage in practice.

  8. A sub-canopy structure for simulating oil palm in the Community Land Model: phenology, allocation and yield

    NASA Astrophysics Data System (ADS)

    Fan, Y.; Roupsard, O.; Bernoux, M.; Le Maire, G.; Panferov, O.; Kotowska, M. M.; Knohl, A.

    2015-06-01

    Land surface modelling has been widely used to characterize the two-way interactions between climate and human activities in terrestrial ecosystems such as deforestation, agricultural expansion, and urbanization. Towards an effort to quantify the effects of forests to oil palm conversion occurring in the tropics on land-atmosphere carbon, water and energy fluxes, we introduce a new perennial crop plant functional type (PFT) for oil palm. Due to the modular and sequential nature of oil palm growth (around 40 stacked phytomers) and yield (fruit bunches axillated on each phytomer), we developed a specific sub-canopy structure for simulating palm's growth and yield within the framework of the Community Land Model (CLM4.5). In this structure each phytomer has its own prognostic leaf growth and fruit yield capacity like a PFT but with shared stem and root components among all phytomers. Phenology and carbon and nitrogen allocation operate on the different phytomers in parallel but at unsynchronized steps, so that multiple fruit yields per annum are enabled in terms of carbon and nitrogen outputs. An important phenological phase is identified for the palm PFT - the storage growth period of bud and "spear" leaves which are photosynthetically inactive before expansion. Agricultural practices such as transplanting, fertilization, and leaf pruning are represented. Parameters introduced for the new PFT were calibrated and validated with field measurements of leaf area index (LAI) and yield from Sumatra, Indonesia. In calibration with a mature oil palm plantation, the cumulative yields from 2005 to 2014 matched perfectly between simulation and observation (mean percentage error = 4 %). Simulated inter-annual dynamics of PFT-level and phytomer-level LAI were both within the range of field measurements. Validation from eight independent oil palm sites shows the ability of the model to adequately predict the average leaf growth and fruit yield across sites but also indicates that

  9. Three-dimensional finite element numerical simulation and physical experiment for magnetism-stress detecting in oil casing

    NASA Astrophysics Data System (ADS)

    Meng, Fanshun; Zhang, Jie; Yang, Chaoqun; Yu, Weizhe; Chen, Yuxi

    2015-08-01

    The casing damage has been a big problem in oilfield production. The current detection methods mostly are used after casing damage, which is not very effective. With the rapid development of China's offshore oil industry, the number of offshore oil wells is becoming larger and larger. Because the cost of offshore oil well is very high, the casing damage will cause huge economic losses. What's more, it can also bring serious pollution to marine environment. So the effective methods of detecting casing damage are required badly. The accumulation of stress is the main reason for the casing damage. Magnetic anisotropy technique based on counter magnetostriction effect can detect the stress of casing in real time and help us to find out the hidden dangers in time. It is essential for us to prevent the casing damage from occurring. However, such technique is still in the development stage. Previous studies mostly got the relationship between stress and magnetic signals by physical experiment, and the study of physical mechanism in relative magnetic permeability connecting the stress and magnetic signals is rarely reported. The present paper uses the ANSYS to do the three-dimensional finite element numerical simulation to study how the relative magnetic permeability works for the oil casing model. We find that the quantitative relationship between the stress's variation and magnetic induction intensity's variation is: Δδ = K* Δ B, K = 8.04×109, which is proved correct by physical experiment.

  10. Numerical Simulation of Potential Groundwater Contaminant Pathways from Hydraulically Fractured Oil Shale in the Nevada Basin and Range Province

    NASA Astrophysics Data System (ADS)

    Rybarski, S.; Pohll, G.; Pohlmann, K.; Plume, R.

    2014-12-01

    In recent years, hydraulic fracturing (fracking) has become an increasingly popular method for extraction of oil and natural gas from tight formations. Concerns have been raised over a number of environmental risks associated with fracking, including contamination of groundwater by fracking fluids, upwelling of deep subsurface brines, and methane migration. Given the potentially long time scale for contaminant transport associated with hydraulic fracturing, numerical modeling remains the best practice for risk assessment. Oil shale in the Humboldt basin of northeastern Nevada has now become a target for hydraulic fracturing operations. Analysis of regional and shallow groundwater flow is used to assess several potential migration pathways specific to the geology and hydrogeology of this basin. The model domain in all simulations is defined by the geologic structure of the basin as determined by deep oil and gas well bores and formation outcrops. Vertical transport of gaseous methane along a density gradient is simulated in TOUGH2, while fluid transport along faults and/or hydraulic fractures and lateral flow through more permeable units adjacent to the targeted shale are modeled in FEFLOW. Sensitivity analysis considers basin, fault, and hydraulic fracturing parameters, and results highlight key processes that control fracking fluid and methane migration and time scales under which it might occur.

  11. Western oil shale development: a technology assessment. Volume 7: an ecosystem simulation of perturbations applied to shale oil development

    SciTech Connect

    Not Available

    1982-05-01

    Progress is outlined on activities leading toward evaluation of ecological and agricultural impacts of shale oil development in the Piceance Creek Basin region of northwestern Colorado. After preliminary review of the problem, it was decided to use a model-based calculation approach in the evaluation. The general rationale and objectives of this approach are discussed. Previous studies were examined to characterize climate, soils, vegetation, animals, and ecosystem response units. System function was methodically defined by developing a master list of variables and flows, structuring a generalized system flow diagram, constructing a flow-effects matrix, and conceptualizing interactive spatial units through spatial matrices. The process of developing individual mathematical functions representing the flow of matter and energy through the various system variables in different submodels is discussed. The system model diagram identified 10 subsystems which separately account for flow of soil temperatures, soil water, herbaceous plant biomass, shrubby plant biomass, tree cover, litter biomass, shrub numbers, animal biomass, animal numbers, and land area. Among these coupled subsystems there are 45 unique kinds of state variables and 150 intra-subsystem flows. The model is generalizeable and canonical so that it can be expanded, if required, by disaggregating some of the system state variables and allowing for multiple ecological response units. It integrates information on climate, surface water, ecology, land reclamation, air quality, and solid waste as it is being developed by several other task groups.

  12. Effects of chemical dispersants on oil spill drift paths in the German Bight—probabilistic assessment based on numerical ensemble simulations

    NASA Astrophysics Data System (ADS)

    Schwichtenberg, Fabian; Callies, Ulrich; Groll, Nikolaus; Maßmann, Silvia

    2016-06-01

    Oil dispersed in the water column remains sheltered from wind forcing, so that an altered drift path is a key consequence of using chemical dispersants. In this study, ensemble simulations were conducted based on 7 years of simulated atmospheric and marine conditions, evaluating 2,190 hypothetical spills from each of 636 cells of a regular grid covering the inner German Bight (SE North Sea). Each simulation compares two idealized setups assuming either undispersed or fully dispersed oil. Differences are summarized in a spatial map of probabilities that chemical dispersant applications would help prevent oil pollution from entering intertidal coastal areas of the Wadden Sea. High probabilities of success overlap strongly with coastal regions between 10 m and 20 m water depth, where the use of chemical dispersants for oil spill response is a particularly contentious topic. The present study prepares the ground for a more detailed net environmental benefit analysis (NEBA) accounting also for toxic effects.

  13. Effects of chemical dispersants on oil spill drift paths in the German Bight—probabilistic assessment based on numerical ensemble simulations

    NASA Astrophysics Data System (ADS)

    Schwichtenberg, Fabian; Callies, Ulrich; Groll, Nikolaus; Maßmann, Silvia

    2017-04-01

    Oil dispersed in the water column remains sheltered from wind forcing, so that an altered drift path is a key consequence of using chemical dispersants. In this study, ensemble simulations were conducted based on 7 years of simulated atmospheric and marine conditions, evaluating 2,190 hypothetical spills from each of 636 cells of a regular grid covering the inner German Bight (SE North Sea). Each simulation compares two idealized setups assuming either undispersed or fully dispersed oil. Differences are summarized in a spatial map of probabilities that chemical dispersant applications would help prevent oil pollution from entering intertidal coastal areas of the Wadden Sea. High probabilities of success overlap strongly with coastal regions between 10 m and 20 m water depth, where the use of chemical dispersants for oil spill response is a particularly contentious topic. The present study prepares the ground for a more detailed net environmental benefit analysis (NEBA) accounting also for toxic effects.

  14. Assessment of bioethanol yield by S. cerevisiae grown on oil palm residues: Monte Carlo simulation and sensitivity analysis.

    PubMed

    Samsudin, Mohd Dinie Muhaimin; Mat Don, Mashitah

    2015-01-01

    Oil palm trunk (OPT) sap was utilized for growth and bioethanol production by Saccharomycescerevisiae with addition of palm oil mill effluent (POME) as nutrients supplier. Maximum yield (YP/S) was attained at 0.464g bioethanol/g glucose presence in the OPT sap-POME-based media. However, OPT sap and POME are heterogeneous in properties and fermentation performance might change if it is repeated. Contribution of parametric uncertainty analysis on bioethanol fermentation performance was then assessed using Monte Carlo simulation (stochastic variable) to determine probability distributions due to fluctuation and variation of kinetic model parameters. Results showed that based on 100,000 samples tested, the yield (YP/S) ranged 0.423-0.501g/g. Sensitivity analysis was also done to evaluate the impact of each kinetic parameter on the fermentation performance. It is found that bioethanol fermentation highly depend on growth of the tested yeast.

  15. Simulation of permafrost changes due to technogenic influences of different ingeneering constructions used in nothern oil and gas fields

    NASA Astrophysics Data System (ADS)

    Filimonov, M. Yu; Vaganova, N. A.

    2016-10-01

    Significant amount of oil and gas is producted in Russian Federation on the territories with permafrost soils. Ice-saturated rocks thawing due to global warming or effects of various human activity will be accompanied by termocarst and others dangerous geological processes in permafrost. Design and construction of well pads in permafrost zones have some special features. The main objective is to minimize the influence of different heat sources (engineering objects) inserted into permafrost and accounting long-term forecast of development of permafrost degradation due to different factors in particular generated by human activity. In this work on the basis a mathematical model and numerical algorithms approved on 11 northern oil and gas fields some effects obtained by carrying out numerical simulations for various engineering systems are discussed.

  16. Simulation Study of CO2-EOR in Tight Oil Reservoirs with Complex Fracture Geometries

    NASA Astrophysics Data System (ADS)

    Zuloaga-Molero, Pavel; Yu, Wei; Xu, Yifei; Sepehrnoori, Kamy; Li, Baozhen

    2016-09-01

    The recent development of tight oil reservoirs has led to an increase in oil production in the past several years due to the progress in horizontal drilling and hydraulic fracturing. However, the expected oil recovery factor from these reservoirs is still very low. CO2-based enhanced oil recovery is a suitable solution to improve the recovery. One challenge of the estimation of the recovery is to properly model complex hydraulic fracture geometries which are often assumed to be planar due to the limitation of local grid refinement approach. More flexible methods like the use of unstructured grids can significantly increase the computational demand. In this study, we introduce an efficient methodology of the embedded discrete fracture model to explicitly model complex fracture geometries. We build a compositional reservoir model to investigate the effects of complex fracture geometries on performance of CO2 Huff-n-Puff and CO2 continuous injection. The results confirm that the appropriate modelling of the fracture geometry plays a critical role in the estimation of the incremental oil recovery. This study also provides new insights into the understanding of the impacts of CO2 molecular diffusion, reservoir permeability, and natural fractures on the performance of CO2-EOR processes in tight oil reservoirs.

  17. Simulation Study of CO2-EOR in Tight Oil Reservoirs with Complex Fracture Geometries

    PubMed Central

    Zuloaga-Molero, Pavel; Yu, Wei; Xu, Yifei; Sepehrnoori, Kamy; Li, Baozhen

    2016-01-01

    The recent development of tight oil reservoirs has led to an increase in oil production in the past several years due to the progress in horizontal drilling and hydraulic fracturing. However, the expected oil recovery factor from these reservoirs is still very low. CO2-based enhanced oil recovery is a suitable solution to improve the recovery. One challenge of the estimation of the recovery is to properly model complex hydraulic fracture geometries which are often assumed to be planar due to the limitation of local grid refinement approach. More flexible methods like the use of unstructured grids can significantly increase the computational demand. In this study, we introduce an efficient methodology of the embedded discrete fracture model to explicitly model complex fracture geometries. We build a compositional reservoir model to investigate the effects of complex fracture geometries on performance of CO2 Huff-n-Puff and CO2 continuous injection. The results confirm that the appropriate modelling of the fracture geometry plays a critical role in the estimation of the incremental oil recovery. This study also provides new insights into the understanding of the impacts of CO2 molecular diffusion, reservoir permeability, and natural fractures on the performance of CO2-EOR processes in tight oil reservoirs. PMID:27628131

  18. Simulation Study of CO2-EOR in Tight Oil Reservoirs with Complex Fracture Geometries.

    PubMed

    Zuloaga-Molero, Pavel; Yu, Wei; Xu, Yifei; Sepehrnoori, Kamy; Li, Baozhen

    2016-09-15

    The recent development of tight oil reservoirs has led to an increase in oil production in the past several years due to the progress in horizontal drilling and hydraulic fracturing. However, the expected oil recovery factor from these reservoirs is still very low. CO2-based enhanced oil recovery is a suitable solution to improve the recovery. One challenge of the estimation of the recovery is to properly model complex hydraulic fracture geometries which are often assumed to be planar due to the limitation of local grid refinement approach. More flexible methods like the use of unstructured grids can significantly increase the computational demand. In this study, we introduce an efficient methodology of the embedded discrete fracture model to explicitly model complex fracture geometries. We build a compositional reservoir model to investigate the effects of complex fracture geometries on performance of CO2 Huff-n-Puff and CO2 continuous injection. The results confirm that the appropriate modelling of the fracture geometry plays a critical role in the estimation of the incremental oil recovery. This study also provides new insights into the understanding of the impacts of CO2 molecular diffusion, reservoir permeability, and natural fractures on the performance of CO2-EOR processes in tight oil reservoirs.

  19. Fluid Flow Simulation For CO2-EOR and Sequestration Utilizing Geomechanical Constraints - Teapot Dome Oil Field, Wyoming

    NASA Astrophysics Data System (ADS)

    Chiaramonte, L.; Zoback, M. D.; Friedmann, J.; Stamp, V.

    2007-12-01

    Mature oil and gas reservoirs are attractive targets for geological sequestration of CO2 because of their potential storage capacities and the possible cost offsets from enhanced oil recovery (EOR). In this work we develop a 3D reservoir model and fluid flow simulation of the Tensleep Formation using geomechanical constraints to evaluate the feasibility of a CO2-EOR injection project at Teapot Dome Oil Field, WY. The objective of this work is to model the migration of the injected CO2 as well as to obtain limits on the rates and volumes of CO2 that can be injected without compromising seal integrity. Teapot Dome is an elongated asymmetrical, basement-cored anticline with a north-northwest axis. It is part of the Salt Creek structural trend, located in the southwestern edge of the Powder River Basin. The Tensleep Fm. in this area consists of interdune deposits such as eolian sandstones, sabkha carbonates, evaporites (mostly anhydrite), and some very low permeability dolomicrites. The average porosity is 0.10 ranging from 0.05-0.20. The average permeability is 30 mD, ranging from 10 - 100 mD. The average reservoir thickness is 50 ft. The reservoir has strong aquifer drive. In the area under study, the Tensleep Fm. has its structural crest at 1675 m. It presents a 3-way closure trap against a NE-SW fault to the north. We previously carried out a geomechanical stability analysis and found this fault to be able to support the increase in pressure due to the CO2 to be injected, even if the structure was "filled-to-spill". In this work we combine our previous geomechanical analysis, geostatistical reservoir modeling and fluid flow simulations to investigate critical questions regarding the feasibility of a CO2-EOR project in the Tensleep Fm. The analysis takes into consideration the initial trapping and sealing mechanisms of the reservoir, the consequences of past and present oil production on the initial properties, and the potential effect of CO2 injection on both the

  20. Geant4 simulation of the Elekta XVI kV CBCT unit for accurate description of potential late toxicity effects of image-guided radiotherapy.

    PubMed

    Brochu, F M; Burnet, N G; Jena, R; Plaistow, R; Parker, M A; Thomas, S J

    2014-12-21

    This paper describes the modelisation of the Elekta XVI Cone Beam Computed Tomography (CBCT) machine components with Geant4 and its validation against calibration data taken for two commonly used machine setups. Preliminary dose maps of simulated CBCTs coming from this modelisation work are presented. This study is the first step of a research project, GHOST, aiming to improve the understanding of late toxicity risk in external beam radiotherapy patients by simulating dose depositions integrated from different sources (imaging, treatment beam) over the entire treatment plan. The second cancer risk will then be derived from different models relating irradiation dose and second cancer risk.

  1. Geant4 simulation of the Elekta XVI kV CBCT unit for accurate description of potential late toxicity effects of image-guided radiotherapy

    NASA Astrophysics Data System (ADS)

    Brochu, F. M.; Burnet, N. G.; Jena, R.; Plaistow, R.; Parker, M. A.; Thomas, S. J.

    2014-12-01

    This paper describes the modelisation of the Elekta XVI Cone Beam Computed Tomography (CBCT) machine components with Geant4 and its validation against calibration data taken for two commonly used machine setups. Preliminary dose maps of simulated CBCTs coming from this modelisation work are presented. This study is the first step of a research project, GHOST, aiming to improve the understanding of late toxicity risk in external beam radiotherapy patients by simulating dose depositions integrated from different sources (imaging, treatment beam) over the entire treatment plan. The second cancer risk will then be derived from different models relating irradiation dose and second cancer risk.

  2. Application of MODFLOW for oil reservoir simulation during the Deepwater Horizon Crisis

    USGS Publications Warehouse

    Hsieh, Paul A.

    2011-01-01

    When the Macondo well was shut in on July 15, 2010, the shut-in pressure recovered to a level that indicated the possibility of oil leakage out of the well casing into the surrounding formation. Such a leak could initiate a hydraulic fracture that might eventually breach the seafloor, resulting in renewed and uncontrolled oil flow into the Gulf of Mexico. To help evaluate whether or not to reopen the well, a MODFLOW model was constructed within 24 h after shut in to analyze the shut-in pressure. The model showed that the shut-in pressure can be explained by a reasonable scenario in which the well did not leak after shut in. The rapid response provided a scientific analysis for the decision to keep the well shut, thus ending the oil spill resulting from the Deepwater Horizon blow out.

  3. Application of MODFLOW for oil reservoir simulation during the Deepwater Horizon crisis.

    PubMed

    Hsieh, Paul A

    2011-01-01

    When the Macondo well was shut in on July 15, 2010, the shut-in pressure recovered to a level that indicated the possibility of oil leakage out of the well casing into the surrounding formation. Such a leak could initiate a hydraulic fracture that might eventually breach the seafloor, resulting in renewed and uncontrolled oil flow into the Gulf of Mexico. To help evaluate whether or not to reopen the well, a MODFLOW model was constructed within 24 h after shut in to analyze the shut-in pressure. The model showed that the shut-in pressure can be explained by a reasonable scenario in which the well did not leak after shut in. The rapid response provided a scientific analysis for the decision to keep the well shut, thus ending the oil spill resulting from the Deepwater Horizon blow out.

  4. The oil spill model OILTRANS and its application to the Celtic Sea.

    PubMed

    Berry, Alan; Dabrowski, Tomasz; Lyons, Kieran

    2012-11-01

    This paper describes details of an oil spill model, OILTRANS, developed by the authors. The model is an off-line particle-transport model coupled to the most up to date operational met-ocean model forecasts. Formulations for the dominant oil fate processes of spreading, advection, diffusion, evaporation, emulsification and dispersion have been encoded, providing the model with the ability to accurately predict the horizontal movement of surface oil slick, the vertical entrainment of oil into the water column and the mass balance of spilled oil. The application of the OILTRANS model to an accidental release during a ship-to-ship fuel transfer in the Celtic Sea in February 2009 is presented to validate the system. Comparisons with aerial observations of the oil slick at the time of the incident, and subsequent model simulations, indicate that the OILTRANS model is capable of accurately predicting the transport and fate of the oil slick.

  5. Stochastic Plume Simulations for the Fukushima Accident and the Deep Water Horizon Oil Spill

    NASA Astrophysics Data System (ADS)

    Coelho, E.; Peggion, G.; Rowley, C.; Hogan, P.

    2012-04-01

    The Fukushima Dai-ichi power plant suffered damage leading to radioactive contamination of coastal waters. Major issues in characterizing the extent of the affected waters were a poor knowledge of the radiation released to the coastal waters and the rather complex coastal dynamics of the region, not deterministically captured by the available prediction systems. Equivalently, during the Gulf of Mexico Deep Water Horizon oil platform accident in April 2010, significant amounts of oil and gas were released from the ocean floor. For this case, issues in mapping and predicting the extent of the affected waters in real-time were a poor knowledge of the actual amounts of oil reaching the surface and the fact that coastal dynamics over the region were not deterministically captured by the available prediction systems. To assess the ocean regions and times that were most likely affected by these accidents while capturing the above sources of uncertainty, ensembles of the Navy Coastal Ocean Model (NCOM) were configured over the two regions (NE Japan and Northern Gulf of Mexico). For the Fukushima case tracers were released on each ensemble member; their locations at each instant provided reference positions of water volumes where the signature of water released from the plant could be found. For the Deep Water Horizon oil spill case each ensemble member was coupled with a diffusion-advection solution to estimate possible scenarios of oil concentrations using perturbed estimates of the released amounts as the source terms at the surface. Stochastic plumes were then defined using a Risk Assessment Code (RAC) analysis that associates a number from 1 to 5 to each grid point, determined by the likelihood of having tracer particle within short ranges (for the Fukushima case), hence defining the high risk areas and those recommended for monitoring. For the Oil Spill case the RAC codes were determined by the likelihood of reaching oil concentrations as defined in the Bonn Agreement

  6. Computer simulation of the probability that endangered whales will interact with oil spills, Final report

    SciTech Connect

    Reed, M.; Jayko, K.; Bowles, A.; Anderson, E.; Leatherwood, S.

    1986-10-01

    A numerical model system was developed to assess quantitatively the probability that endangered bowhead and gray whales will encounter spilled oil in Alaskan waters. Bowhead and gray whale migration diving-surfacing models, and an oil-spill-trajectory model comprise the system. The migration models were developed from conceptual considerations, then calibrated with and tested against observations. The distribution of animals is represented in space and time by discrete points, each of which may represent one or more whales. The movement of a whale point is governed by a random-walk algorithm which stochastically follows a migratory pathway.

  7. Effective bioremediation strategy for rapid in situ cleanup of anoxic marine sediments in mesocosm oil spill simulation

    PubMed Central

    Genovese, Maria; Crisafi, Francesca; Denaro, Renata; Cappello, Simone; Russo, Daniela; Calogero, Rosario; Santisi, Santina; Catalfamo, Maurizio; Modica, Alfonso; Smedile, Francesco; Genovese, Lucrezia; Golyshin, Peter N.; Giuliano, Laura; Yakimov, Michail M.

    2014-01-01

    The purpose of present study was the simulation of an oil spill accompanied by burial of significant amount of petroleum hydrocarbons (PHs) in coastal sediments. Approximately 1000 kg of sediments collected in Messina harbor were spiked with Bunker C furnace fuel oil (6500 ppm). The rapid consumption of oxygen by aerobic heterotrophs created highly reduced conditions in the sediments with subsequent recession of biodegradation rates. As follows, after 3 months of ageing, the anaerobic sediments did not exhibit any significant levels of biodegradation and more than 80% of added Bunker C fuel oil remained buried. Anaerobic microbial community exhibited a strong enrichment in sulfate-reducing PHs-degrading and PHs-associated Deltaproteobacteria. As an effective bioremediation strategy to clean up these contaminated sediments, we applied a Modular Slurry System (MSS) allowing the containment of sediments and their physical–chemical treatment, e.g., aeration. Aeration for 3 months has increased the removal of main PHs contaminants up to 98%. As revealed by CARD-FISH, qPCR, and 16S rRNA gene clone library analyses, addition of Bunker C fuel oil initially affected the activity of autochthonous aerobic obligate marine hydrocarbonoclastic bacteria (OMHCB), and after 1 month more than the third of microbial population was represented by Alcanivorax-, Cycloclasticus-, and Marinobacter-related organisms. In the end of the experiment, the microbial community composition has returned to a status typically observed in pristine marine ecosystems with no detectable OMHCB present. Eco-toxicological bioassay revealed that the toxicity of sediments after treatment was substantially decreased. Thus, our studies demonstrated that petroleum-contaminated anaerobic marine sediments could efficiently be cleaned through an in situ oxygenation which stimulates their self-cleaning potential due to reawakening of allochtonous aerobic OMHCB. PMID:24782850

  8. A numerical oil spill model based on a hybrid method.

    PubMed

    Guo, W J; Wang, Y X

    2009-05-01

    The purpose of this paper is the development of a hybrid particle tracking/Eulerian-Lagrangian approach for the simulation of spilled oil in coastal areas. Oil discharge from the source is modeled by the release of particles. When the oil slick thickness or the oil concentration reaches a critical value, particles are mapped on slick thickness or node concentrations, and the calculations proceed in the Eulerian-Lagrangian mode. To acquire accurate environment information, the model is coupled with the 3-D free-surface hydrodynamics model (POM) and the third-generation wave model (SWAN). By simulating the oil processes of spreading, advection, turbulent diffusion, evaporation, emulsification, dissolution and shoreline deposition, it has the ability to predict the horizontal movement of surface oil slick, the vertical distribution of oil particles, the concentration in the water column and the mass balance of spilled oil. An accidental oil release near Dalian coastal waters is simulated to validate the developed model. Compared with the satellite images of oil slicks on the surface, the numerical results indicate that the model has a reasonable accuracy.

  9. Simulated 'On-Line' Wear Metal Analysis of Lubricating Oils by X-Ray Fluorescence Spectroscopy

    NASA Technical Reports Server (NTRS)

    Kelliher, Warren C.; Partos, Richard D.; Nelson, Irina

    1996-01-01

    The objective of this project was to assess the sensitivity of X-ray Fluorescence Spectroscopy (XFS) for quantitative evaluation of metal particle content in engine oil suspensions and the feasibility of real-time, dynamic wear metal analysis. The study was focused on iron as the majority wear metal component. Variable parameters were: particle size, particle concentration and oil velocity. A commercial XFS spectrometer equipped with interchangeable static/dynamic (flow cell) sample chambers was used. XFS spectra were recorded for solutions of Fe-organometallic standard and for a series of DTE oil suspensions of high purity spherical iron particles of 2g, 4g, and 8g diameter, at concentrations from 5 ppm to 5,000 ppm. Real contaminated oil samples from Langley Air Force Base aircraft engines and NASA Langley Research Center wind tunnels were also analyzed. The experimental data conform the reliability of XFS as the analytical method of choice for this project. Intrinsic inadequacies of the instrument for precise analytic work at low metal concentrations were identified as being related to the particular x-ray beam definition, system geometry, and flow-cell materials selection. This work supports a proposal for the design, construction and testing of a conceptually new, miniature XFS spectrometer with superior performance, dedicated to on-line, real-time monitoring of lubricating oils in operating engines. Innovative design solutions include focalization of the incident x-ray beam, non-metal sample chamber, and miniaturization of the overall assembly. The instrument would contribute to prevention of catastrophic engine failures. A proposal for two-year funding has been presented to NASA Langley Research Center Internal Operation Group (IOG) Management, to continue the effort begun by this summer's project.

  10. Molecular dynamics and docking simulations as a proof of high flexibility in E. coli FabH and its relevance for accurate inhibitor modeling

    NASA Astrophysics Data System (ADS)

    Pérez-Castillo, Yunierkis; Froeyen, Matheus; Cabrera-Pérez, Miguel Ángel; Nowé, Ann

    2011-04-01

    Bacterial β-ketoacyl-acyl carrier protein synthase III (FabH) has become an attractive target for the development of new antibacterial agents which can overcome the increased resistance of these pathogens to antibiotics in clinical use. Despite several efforts have been dedicated to find inhibitors for this enzyme, it is not a straightforward task, mainly due its high flexibility which makes difficult the structure-based design of FabH inhibitors. Here, we present for the first time a Molecular Dynamics (MD) study of the E. colil FabH enzyme to explore its conformational space. We compare the flexibility of this enzyme for the unliganded protein and an enzyme-inhibitor complex and find a correspondence between our modeling results and the experimental evidence previously reported for this enzyme. Furthermore, through a 100 ns MD simulation of the unliganded enzyme we extract useful information related to the concerted motions that take place along the principal components of displacement. We also establish a relation between the presence of water molecules in the oxyanion hole with the conformational stability of structural important loops. Representative conformations of the binding pocket along the whole trajectory of the unliganded protein are selected through cluster analysis and we find that they contain a conformational diversity which is not provided by the X-ray structures of ecFabH. As a proof of this last hypothesis, we use a set of 10 FabH inhibitors and show that they cannot be correctly modeled in any available X-ray structure, while by using our set of conformations extracted from the MD simulations, this task can be accomplish. Finally, we show the ability of short MD simulations for the refinement of the docking binding poses and for MM-PBSA calculations to predict stable protein-inhibitor complexes in this enzyme.

  11. Simulation of the migration and transformation of petroleum pollutants in the soils of the Loess plateau: a case study in the Maling oil field of northwestern China.

    PubMed

    Pan, Feng; Ma, Jinzhu; Wang, Yunquan; Zhang, Yali; Chen, Lihua; Edmunds, W Mike

    2013-10-01

    We developed a coupled water-oil simulation model to simulate the migration and transformation of petroleum-derived contaminants in the soil of the Xifeng oil field. To do so, we used the HYDRUS-2D model, which simulates the diffusion, adsorption or desorption, and microbial degradation of petroleum-derived hydrocarbons in the soil-water system. The saturated soil hydraulic conductivity of petroleum-derived pollutants was 0.05 cm day(-1), which is about 1 to 2 % of the soil moisture permeability coefficient. Our numerical simulation results show that spilled crude oil was mainly concentrated in the surface horizons of the soil. The organic pollutant concentration tended to be highest nearest to the pollution source. The pollutant migration was generally concentrated within the top 20 to 30 cm of the soil, with the maximum concentration in the top 5 cm of the soil. With passing time, the pollutant accumulation increased and the adsorption and degradation functions reached a dynamic balance with the input rate at depths greater than 30 cm below the soil surface. The oil-derived pollutants totaled 50 to 100 mg kg(-1) under the dynamic balance condition, which occurred after 20 to 30 years. The petroleum-derived pollutant concentration in the loess soil was inversely correlated with the horizontal distance from the oil well, and the concentration decreased greatly at a distance greater than 40 m from the well.

  12. MO-A-BRD-10: A Fast and Accurate GPU-Based Proton Transport Monte Carlo Simulation for Validating Proton Therapy Treatment Plans

    SciTech Connect

    Wan Chan Tseung, H; Ma, J; Beltran, C

    2014-06-15

    Purpose: To build a GPU-based Monte Carlo (MC) simulation of proton transport with detailed modeling of elastic and non-elastic (NE) protonnucleus interactions, for use in a very fast and cost-effective proton therapy treatment plan verification system. Methods: Using the CUDA framework, we implemented kernels for the following tasks: (1) Simulation of beam spots from our possible scanning nozzle configurations, (2) Proton propagation through CT geometry, taking into account nuclear elastic and multiple scattering, as well as energy straggling, (3) Bertini-style modeling of the intranuclear cascade stage of NE interactions, and (4) Simulation of nuclear evaporation. To validate our MC, we performed: (1) Secondary particle yield calculations in NE collisions with therapeutically-relevant nuclei, (2) Pencil-beam dose calculations in homogeneous phantoms, (3) A large number of treatment plan dose recalculations, and compared with Geant4.9.6p2/TOPAS. A workflow was devised for calculating plans from a commercially available treatment planning system, with scripts for reading DICOM files and generating inputs for our MC. Results: Yields, energy and angular distributions of secondaries from NE collisions on various nuclei are in good agreement with the Geant4.9.6p2 Bertini and Binary cascade models. The 3D-gamma pass rate at 2%–2mm for 70–230 MeV pencil-beam dose distributions in water, soft tissue, bone and Ti phantoms is 100%. The pass rate at 2%–2mm for treatment plan calculations is typically above 98%. The net computational time on a NVIDIA GTX680 card, including all CPU-GPU data transfers, is around 20s for 1×10{sup 7} proton histories. Conclusion: Our GPU-based proton transport MC is the first of its kind to include a detailed nuclear model to handle NE interactions on any nucleus. Dosimetric calculations demonstrate very good agreement with Geant4.9.6p2/TOPAS. Our MC is being integrated into a framework to perform fast routine clinical QA of pencil

  13. Terahertz-dependent identification of simulated hole shapes in oil-gas reservoirs

    NASA Astrophysics Data System (ADS)

    Bao, Ri-Ma; Zhan, Hong-Lei; Miao, Xin-Yang; Zhao, Kun; Feng, Cheng-Jing; Dong, Chen; Li, Yi-Zhang; Xiao, Li-Zhi

    2016-10-01

    Detecting holes in oil-gas reservoirs is vital to the evaluation of reservoir potential. The main objective of this study is to demonstrate the feasibility of identifying general micro-hole shapes, including triangular, circular, and square shapes, in oil-gas reservoirs by adopting terahertz time-domain spectroscopy (THz-TDS). We evaluate the THz absorption responses of punched silicon (Si) wafers having micro-holes with sizes of 20 μm-500 μm. Principal component analysis (PCA) is used to establish a model between THz absorbance and hole shapes. The positions of samples in three-dimensional spaces for three principal components are used to determine the differences among diverse hole shapes and the homogeneity of similar shapes. In addition, a new Si wafer with the unknown hole shapes, including triangular, circular, and square, can be qualitatively identified by combining THz-TDS and PCA. Therefore, the combination of THz-TDS with mathematical statistical methods can serve as an effective approach to the rapid identification of micro-hole shapes in oil-gas reservoirs. Project supported by the National Natural Science Foundation of China (Grant No. 61405259), the National Basic Research Program of China (Grant No. 2014CB744302), and the Specially Founded Program on National Key Scientific Instruments and Equipment Development, China (Grant No. 2012YQ140005).

  14. Evaluation of autochthonous bioaugmentation and biostimulation during microcosm-simulated oil spills.

    PubMed

    Nikolopoulou, M; Pasadakis, N; Kalogerakis, N

    2013-07-15

    Oil spills are treated as a widespread problem that poses a great threat to any ecosystem. Following first response actions, bioremediation has emerged as the best strategy for combating oil spills and can be enhanced by the following two complementary approaches: bioaugmentation and biostimulation. Bioaugmentation is one of the most controversial issues of bioremediation. Studies that compare the relative performance of bioaugmentation and biostimulation suggest that nutrient addition alone has a greater effect on oil biodegradation than the addition of microbial products because the survival and degradation ability of microbes introduced to a contaminated site are highly dependent on environmental conditions. Microbial populations grown in rich media under laboratory conditions become stressed when exposed to field conditions in which nutrient concentrations are substantially lower. There is increasing evidence that the best approach to overcoming these barriers is the use of microorganisms from the polluted area, an approach proposed as autochthonous bioaugmentation (ABA) and defined as a bioaugmentation technology that exclusively uses microorganisms indigenous to the sites (soil, sand, and water) slated for decontamination. In this work, we examined the effectiveness of strategies combining autochthonous bioaugmentation with biostimulation for successful remediation of polluted marine environments. Seawater was collected from a pristine area (Agios Onoufrios Beach, Chania) and was placed in a bioreactor with 1% v/v crude oil to facilitate the adaptation of the indigenous microorganism population. The pre-adapted consortium and the indigenous population were tested in combination with inorganic or lipophilic nutrients in the presence (or absence) of biosurfactants (rhamnolipids) during 90-day long experiments. Chemical analysis (gas chromatography-mass spectrometry) of petroleum hydrocarbons confirmed the results of previous work demonstrating that the

  15. Degradation and aquatic toxicity of naphthenic acids in oil sands process-affected waters using simulated wetlands.

    PubMed

    Toor, Navdeep S; Franz, Eric D; Fedorak, Phillip M; MacKinnon, Michael D; Liber, Karsten

    2013-01-01

    Oil sands process-affected waters (OSPWs) produced during the extraction of bitumen at the Athabasca Oil Sands (AOS) located in northeastern Alberta, Canada, are toxic to many aquatic organisms. Much of this toxicity is related to a group of dissolved organic acids known as naphthenic acids (NAs). Naphthenic acids are a natural component of bitumen and are released into process water during the separation of bitumen from the oil sand ore by a caustic hot water extraction process. Using laboratory microcosms as an analogue of a proposed constructed wetland reclamation strategy for OSPW, we evaluated the effectiveness of these microcosms in degrading NAs and reducing the aquatic toxicity of OSPW over a 52-week test period. Experimental manipulations included two sources of OSPW (one from Syncrude Canada Ltd. and one from Suncor Energy Inc.), two different hydraulic retention times (HRTs; 40 and 400 d), and increased nutrient availability (added nitrate and phosphate). Microcosms with a longer HRT (for both OSPWs) showed higher reductions in total NAs concentrations (64-74% NAs reduction, p<0.05) over the test period, while nutrient enrichment appeared to have little effect. A 96 h static acute rainbow trout (Oncorhynchus mykiss) bioassay showed that the initial acute toxicity of Syncrude OSPW (LC50=67% v/v) was reduced (LC50>100% v/v) independent of HRT. However, EC20s from separate Microtox® bioassays were relatively unchanged when comparing the input and microcosm waters at both HRTs over the 52-week study period (p>0.05), indicating that some sub-lethal toxicity persisted under these experimental conditions. The present study demonstrated that given sufficiently long HRTs, simulated wetland microcosms containing OSPW significantly reduced total NAs concentrations and acute toxicity, but left behind a persistent component of the NAs mixture that appeared to be associated with residual chronic toxicity.

  16. Combining physical and numerical simulation to investigate the CO sub 2 huff n' puff process for enhanced light-oil recovery

    SciTech Connect

    Thomas, J.

    1990-01-01

    Cyclic CO{sub 2} injection, more commonly referred to as the CO{sub 2} huff n' puff process, is an enhanced oil recovery method which targets remaining oil. Initially used for heavy oil recovery, it has been applied recently to the enhanced recovery of light oil with promising results. The CO{sub 2} huff 'n' puff process is physically simulated in laboratory experiments using Berea sandstone consolidated cores with live and dead oil systems. Corefloods provide extensive and systematic data at controlled conditions allowing selected process parameters to be investigated. This research used corefloods to examine the effect of an initial gas saturation and an impure CO{sub 2} source on the process. However, physical restraints such as time taken to perfrom experiments, and the fixed physical properties of the core, preclude corefloods under a wider range of conditions. Coreflood data can be used for tuning a compositional reservoir simulator. A well calibrated numerical model can in turn be used to predict the results of the CO{sub 2} huff n' puff process for diverse reservoir and operating conditons difficult to duplicate in the laboratory. This approach is used to calibrate a commercially available composition model. The calibrated model is then used to predict the effects of soak duration, remaining oil saturation, CO{sub 2} slug size and CO{sub 2} injection rate on ultimate recovery.

  17. The Obtaining of Oil from an Oil Reservoir.

    ERIC Educational Resources Information Center

    Dawe, R. A.

    1979-01-01

    Discusses the mechanics of how an actual oil reservoir works and provides some technical background in physics. An experiment which simulates an oil reservoir and demonstrates quantitatively all the basic concepts of oil reservoir rock properties is also presented. (HM)

  18. Solubility of Carbon Dioxide in Pentaerythritol Hexanoate: Molecular Dynamics Simulation of a Refrigerant-Lubricant Oil System.

    PubMed

    Sugii, Taisuke; Ishii, Eiji; Müller-Plathe, Florian

    2015-09-17

    We have investigated the solubility and the solvation structure between a refrigerant (carbon dioxide, CO2) and a lubricant oil (pentaerythritol hexanoate, PEC6) by molecular dynamics simulations. First, to investigate the solubility, we calculated the vapor-liquid equilibrium pressure. The chemical potential of the liquid phase and the gas phase were calculated, and the equilibrium state was obtained from the crossing point of these chemical potentials. The equilibrium pressures agreed well with experimental data over a wide range of temperatures and mole fractions of CO2. Second, the solvation structure was also investigated on a molecular scale. We found the following characteristics. First, the tails of the lubricant oil are relatively rigid inside the ester groups but flexible beyond. Second, CO2 molecules barely enter the lubricant core as delimited by the ester groups. Third, the double-bonded oxygen atoms of the ester groups are good sorption sites for CO2. Fourth, only a few CO2 molecules are attached to more than one carbonyl oxygen simultaneously. Finally, there is also significant unspecific sorption of CO2 in the alkane tail region. These results indicate that increasing the size of the rigid lubricant core would probably decrease the solubility, whereas increasing the number of polar groups would increase it.

  19. Forecasting skill assessment of an oil spill simulation system in the NE Aegean and atmospheric forcing perturbation experiments

    NASA Astrophysics Data System (ADS)

    Kailas, Marios; Chrysagi, Eyrydice; Sofianos, Sarantis

    2016-04-01

    In the present study, the predictive skill of an oil spill simulation system implemented in the Northern Aegean Sea was evaluated using field observations from surface drifters, provided in the framework of the TOSCA project. The system produces satisfactory results as in most cases the forecasting error is quite small, allowing the operational use of the forecast. In order to examine the sensitivity of the forecast to atmospheric forcing, additional simulations with perturbed atmospheric conditions were performed, using a time-shifting technique. In most experiments the differences between the simulations are relatively small, most likely due to slow oceanic response to variations in the wind fields. From the individual simulations an ensemble forecast was created, the results of which were also compared with the observations. The results suggest that by applying this method a safer forecast can be provided, especially regarding cases for which the wind-driven circulation is predominant. However, in cases where the circulation is characterized by intense velocity gradients (in the NE Aegean this is associated with the thermohaline front created by the Black Sea Water inflow), larger differences are present. They are related to imprecise representation of the location of the front. In these cases, the ensemble method produced no significant improvement since the relatively small differences between the trajectories of the ensemble members indicate that the position of the front in not significantly affected by the wind perturbations, based on the spatio-temporal scales examined. It is concluded that in regions with large spatio-temporal variability, an ensemble forecast produced by simulations generated from perturbed initial conditions could possibly lead to more robust results.

  20. High order accurate, one-sided finite-difference approximations to concentration gradients at the boundaries, for the simulation of electrochemical reaction-diffusion problems in one-dimensional space geometry.

    PubMed

    Bieniasz, L K

    2003-07-01

    Accurate calculation of concentration gradients at the boundaries is crucial in electrochemical kinetic simulations, owing to the frequent occurrence of gradient-dependent boundary conditions, and the importance of the gradient-dependent electric current. By using the information about higher spatial derivatives of the concentrations, contained in the time-dependent, kinetic reaction-diffusion partial differential equation(s) in one-dimensional space geometry, under appropriate assumptions it is possible to increase the accuracy orders of the conventional, one-sided n-point finite-difference formulae for the concentration gradients at the boundaries, without increasing n. In this way a new class of high order accurate gradient approximations is derived, and tested in simulations of potential-step chronoamperometric and current-step chronopotentiometric transients for the Reinert-Berg system. The new formulae possess advantages over the conventional gradient approximations. For example, they allow one to obtain a third order accuracy by using two space points only, or fourth order accuracy by using three points, and yet they yield smaller errors than the conventional four-point, or five-point formulae, respectively. Needing fewer points, for approximating the gradients with a given accuracy, simplifies also the solution of the linear algebraic equations arising from the application of implicit time integration schemes.

  1. Effects of simulated oil exposure on two intertidal macrozoo benthos: Tympanotonus fuscata (L.) and Uca tangeri (Eydoux, 1935) in a tropical estuarine ecosystem.

    PubMed

    Ewa-Oboho, I O; Abby-Kalio, N J

    1994-08-01

    The impacts of simulated Nigerian light crude oil on mud flat periwinkles, Tympanotonus fuscata (L.), and fiddler crabs, Uca tangeri (Eydoux, 1935) was examined through field experiments conducted in the Bonny estuary of the Niger Delta (southern Nigeria). The purpose was to assess the fate and effects of a known quantity of the Nigerian light crude oil on this environment. Drastic changes in the densities of T. fuscata and U. tangeri observed immediately after spills was attributed to the effects of the oil. A large increase in Uca biomass occurred in the affected area. Salinity and temperature in the study area showed little fluctuations throughout the survey. Sediment characteristics were similar for all sites (stations). Grain-size analysis revealed that sediments at the study area were 70% silt. Migration of oil via tidal percolation was observed as much as 11 cm beneath the sediment surface.

  2. Using DUSTRAN to Simulate Fog-Oil Dispersion and Its Impacts on Local Insect Populations at Ft. Hood: Final Report

    SciTech Connect

    Rishel, Jeremy P.; Chapman, Elaine G.; Rutz, Frederick C.; Allwine, K Jerry

    2006-12-29

    Smokes and obscurants (S&O) are important screening agents used during military training exercises on many military installations. Although the use of S&O is subject to environmental laws, the fate and effects of S&O on natural habitats are not well documented. One particular concern is the impact S&O may have on local insect populations, which can be important components of terrestrial food chains of endangered species. Fog-oil (FO) is an S&O that is of particular concern. An important part of assessing potential ecosystem impacts is the ability to predict downwind FO concentrations. This report documents the use of the comprehensive atmospheric dispersion modeling system DUST TRANsport (DUSTRAN) to simulate the downwind transport and diffusion of a hypothetical FO release on the U.S. Army installation at Ft. Hood, TX.

  3. Dechlorination of PCBs in the simulative transformer oil by microwave-hydrothermal reaction with zero-valent iron involved.

    PubMed

    Liu, Xitao; Zhao, Wei; Sun, Ke; Zhang, Guixiang; Zhao, Ye

    2011-01-01

    The conventional hydrothermal reaction with iron powder, NaOH and H(2)O as reactants was reported to occur at temperature above 423K, and iron oxides (Fe(3)O(4) and NaFeO(2)) and hydrogen were produced. In this study, microwave heating was adopted to take the place of conventional heating to induce the hydrothermal reaction. Under microwave irradiation, NaOH and H(2)O absorbed microwave energy by space charge polarization and dipolar polarization and instantly converted it into thermal energy, which initiated the hydrothermal reaction that involved with zero-valent iron. X-ray diffraction (XRD) analysis found Fe(3)O(4)/NaFeO(2) and confirmed the occurrence of microwave-induced hydrothermal reaction. The developed microwave-hydrothermal reaction was employed for the dechlorination of PCBs. Hexadecane containing 100mgL(-1) of Aroclor1254 was used as simulative transformer oil, and the dechlorination of PCBs was evaluated by GC/ECD, GC/MS and ion chromatography. For PCBs in 10mL simulative transformer oil, almost complete dechlorination was achieved by 750W microwave irradiation for 10min, with 0.3g iron powder, 0.3g NaOH and 0.6mL H(2)O added. The effects of important factors including microwave power and the amounts of reactants added, on the dechlorination degree were investigated, moreover, the dechlorination mechanism was suggested. Microwave irradiation combined with the common and cheap materials, iron powder, NaOH and H(2)O, might provide a fast and cost-effective method for the treatment of PCBs-containing wastes.

  4. Oil Spill Risk Analysis Model and Its Application to Deepwater Horizon Oil Spill (Invited)

    NASA Astrophysics Data System (ADS)

    Ji, Z.; Johnson, W. R.; Li, Z.

    2010-12-01

    The oil spill risk analysis (OSRA) model plays an essential role in analyzing oil spill risks in the U.S. continental shelf for the U.S. federal government. The OSRA model is driven by analyzed sea surface winds and model-generated ocean surface currents. Instead of focusing on individual oil spill events, the OSRA model examines oil spill risks over long periods of time, ranging from 5 years to decades. The OSRA model calculates thousands of hypothetical oil spill trajectories over U.S. continental shelf and tabulates the frequencies with which the simulated oil spills contact the geographic boundaries of designated natural resources within a specified number of days after the simulated spill events. As a result of a three-year effort, the model was completely updated and improved to meet the new challenges in the oil spill risk analyses. The updated OSRA model is more efficient in terms of computational time, is capable of producing results that are consistent with our previous analyses, and is more user-friendly by incorporating GIS tools. The combination of code parallelization, code optimization, and I/O optimization has greatly improved the computational efficiency. Applying the model to the Gulf of Mexico using 15 years of ocean currents and winds, we find that the newly improved OSRA model can provide important information on the behavior of oil spills more accurately and efficiently. The Deepwater Horizon oil spill is unique and unprecedented in the Gulf of Mexico. Approximated 4.9 million barrels of oil were spilled into the U.S. water. The statistical patterns and results from the OSRA model are being compared with the Deepwater Horizon oil spill. Findings from this study will help in assessing the oil spill risks in the Gulf of Mexico.

  5. Effects of clove oil-phospholipid mixtures on rheology of gum tragacanth - possible application for surfactant action on mucus gel simulants.

    PubMed

    Banerjee, R; Puniyani, R R

    2000-01-01

    The present study evaluates the effectiveness of specialised biomaterials consisting of clove oil- phospholipid mixtures as possible substitute surfactants in diseases of altered mucus viscosity by studying their effect on the viscosity of mucus gel simulants in vitro. Test surfactants consisting of phospholipid-clove oil mixtures in the ratio of 1 part of oil to 9 parts of phospholipid were prepared. The phospholipids used were dipalmitoyl phosphatidylcholine (PC), phosphatidylethanolamine (PE) and phosphatidylglycerol (PG) and binary mixtures of PC: PE and PC: PG in the ratio of 2 parts of PC to 3 parts of PE or PG. The effects of the phospholipid-clove oil mixtures on the viscosity of mucus gel simulant (MGS: a polymeric gel consisting predominantly of gum tragacanth and simulating respiratory mucus), was studied by application of steady shear rates ranging from 0.512 to 51.2/s in a concentric cylinder viscometer at 37 degrees C. The change in MGS viscosity, after incubation with surfactants, was found to have a non-Newtonian character and to follow the power law model with R2 values >0.8. The addition of clove oil-phospholipid mixtures caused a decrease in the MGS viscosity when compared with the effect of the phospholipid alone at low shear rates in case of PC, PG and PCPG. The combination of PC : PG with clove oil caused ratios of change in MGS viscosity < 1 i.e., caused a decrease in the MGS viscosity. PC: PG with clove oil was capable of lowering MGS viscosity and should be further researched as possible therapies for diseases of altered mucus rheology.

  6. Transesterification of vegetable oils: Simulating the replacement of batch reactors with continuous reactors.

    PubMed

    Fonseca, Felipe A S; Vidal-Vieira, José A; Ravagnani, Sergio P

    2010-11-01

    A kinetic model was employed to represent biodiesel production via transesterification of vegetable oils. Reaction rate constants found in the open literature were used in order to compare the behavior of batch and continuous processes. A single continuous stirred tank reactor (CSTR) under the usual operation conditions was not capable of achieving the same productivity as a batch process. However, when reactors in series were used, the continuous process presented a behavior similar to batch processes. As a result, it was evidenced that a series of CSTRs can be an industrially feasible choice for replacing batch transesterification reactors in large scale biodiesel plants. Further, it was shown that the loss in productivity caused by changing from batch to continuous process can be compensated by means of using higher catalyst concentrations.

  7. Control of Microbial Sulfide Production with Biocides and Nitrate in Oil Reservoir Simulating Bioreactors.

    PubMed

    Xue, Yuan; Voordouw, Gerrit

    2015-01-01

    Oil reservoir souring by the microbial reduction of sulfate to sulfide is unwanted, because it enhances corrosion of metal infrastructure used for oil production and processing. Reservoir souring can be prevented or remediated by the injection of nitrate or biocides, although injection of biocides into reservoirs is not commonly done. Whether combined application of these agents may give synergistic reservoir souring control is unknown. In order to address this we have used up-flow sand-packed bioreactors injected with 2 mM sulfate and volatile fatty acids (VFA, 3 mM each of acetate, propionate and butyrate) at a flow rate of 3 or 6 pore volumes (PV) per day. Pulsed injection of the biocides glutaraldehyde (Glut), benzalkonium chloride (BAC) and cocodiamine was used to control souring. Souring control was determined as the recovery time (RT) needed to re-establish an aqueous sulfide concentration of 0.8-1 mM (of the 1.7-2 mM before the pulse). Pulses were either for a long time (120 h) at low concentration (long-low) or for a short time (1 h) at high concentration (short-high). The short-high strategy gave better souring control with Glut, whereas the long-low strategy was better with cocodiamine. Continuous injection of 2 mM nitrate alone was not effective, because 3 mM VFA can fully reduce both 2 mM nitrate to nitrite and N2 and, subsequently, 2 mM sulfate to sulfide. No synergy was observed for short-high pulsed biocides and continuously injected nitrate. However, use of continuous nitrate and long-low pulsed biocide gave synergistic souring control with BAC and Glut, as indicated by increased RTs in the presence, as compared to the absence of nitrate. Increased production of nitrite, which increases the effectiveness of souring control by biocides, is the most likely cause for this synergy.

  8. Control of Microbial Sulfide Production with Biocides and Nitrate in Oil Reservoir Simulating Bioreactors

    PubMed Central

    Xue, Yuan; Voordouw, Gerrit

    2015-01-01

    Oil reservoir souring by the microbial reduction of sulfate to sulfide is unwanted, because it enhances corrosion of metal infrastructure used for oil production and processing. Reservoir souring can be prevented or remediated by the injection of nitrate or biocides, although injection of biocides into reservoirs is not commonly done. Whether combined application of these agents may give synergistic reservoir souring control is unknown. In order to address this we have used up-flow sand-packed bioreactors injected with 2 mM sulfate and volatile fatty acids (VFA, 3 mM each of acetate, propionate and butyrate) at a flow rate of 3 or 6 pore volumes (PV) per day. Pulsed injection of the biocides glutaraldehyde (Glut), benzalkonium chloride (BAC) and cocodiamine was used to control souring. Souring control was determined as the recovery time (RT) needed to re-establish an aqueous sulfide concentration of 0.8–1 mM (of the 1.7–2 mM before the pulse). Pulses were either for a long time (120 h) at low concentration (long-low) or for a short time (1 h) at high concentration (short-high). The short-high strategy gave better souring control with Glut, whereas the long-low strategy was better with cocodiamine. Continuous injection of 2 mM nitrate alone was not effective, because 3 mM VFA can fully reduce both 2 mM nitrate to nitrite and N2 and, subsequently, 2 mM sulfate to sulfide. No synergy was observed for short-high pulsed biocides and continuously injected nitrate. However, use of continuous nitrate and long-low pulsed biocide gave synergistic souring control with BAC and Glut, as indicated by increased RTs in the presence, as compared to the absence of nitrate. Increased production of nitrite, which increases the effectiveness of souring control by biocides, is the most likely cause for this synergy. PMID:26696994

  9. Assessing the bioavailability of polyphenols and antioxidant properties of extra virgin argan oil by simulated digestion and Caco-2 cell assays. Comparative study with extra virgin olive oil.

    PubMed

    Seiquer, Isabel; Rueda, Ascensión; Olalla, Manuel; Cabrera-Vique, Carmen

    2015-12-01

    Argan oil is becoming increasingly popular in the edible-oil market as a luxury food with healthy properties. This paper analyzes (i) the bioavailability of the polyphenol content and antioxidant properties of extra virgin argan oil (EVA) by the combination of in vitro digestion and absorption across Caco-2 cells and (ii) the protective role of the oil bioaccessible fraction (BF) against induced oxidative stress. Results were compared with those obtained with extra virgin olive oil (EVO). Higher values of polyphenols and antioxidant activity were observed in the BF obtained after the in vitro digestion of oils compared with the initial chemical extracts; the increase was higher for EVA but absolute BF values were lower than EVO. Bioaccessible polyphenols from EVA were absorbed by Caco-2 cells in higher proportions than from EVO, and minor differences were observed for antioxidant activity. Preincubation of cell cultures with BF from both oils significantly protected against oxidation, limiting cell damage and reducing reactive oxygen species generation.

  10. Fast and accurate methods for the performance testing of highly-efficient c-Si photovoltaic modules using a 10 ms single-pulse solar simulator and customized voltage profiles

    NASA Astrophysics Data System (ADS)

    Virtuani, A.; Rigamonti, G.; Friesen, G.; Chianese, D.; Beljean, P.

    2012-11-01

    Performance testing of highly efficient, highly capacitive c-Si modules with pulsed solar simulators requires particular care. These devices in fact usually require a steady-state solar simulator or pulse durations longer than 100-200 ms in order to avoid measurement artifacts. The aim of this work was to validate an alternative method for the testing of highly capacitive c-Si modules using a 10 ms single pulse solar simulator. Our approach attempts to reconstruct a quasi-steady-state I-V (current-voltage) curve of a highly capacitive device during one single 10 ms flash by applying customized voltage profiles--in place of a conventional V ramp—to the terminals of the device under test. The most promising results were obtained by using V profiles which we name ‘dragon-back’ (DB) profiles. When compared to the reference I-V measurement (obtained by using a multi-flash approach with approximately 20 flashes), the DB V profile method provides excellent results with differences in the estimation of Pmax (as well as of Isc, Voc and FF) below ±0.5%. For the testing of highly capacitive devices the method is accurate, fast (two flashes—possibly one—required), cost-effective and has proven its validity with several technologies making it particularly interesting for in-line testing.

  11. EFFECT OF AMOUNT OF CRUDE OIL ON EXTENT OF ITS BIODEGRADATION IN OPEN WATER- AND SANDY BEACH-LABORATORY SIMULATIONS

    EPA Science Inventory

    Bioremediation of marine oil spills, a technology using hydrocarbon-degrading and emulsifying capabilities of microorganisms, has many unexplored limitations, and among them is degree of environmental oil contamination. We examined the biodegradation of varying amounts of artifi...

  12. On the possible long-term fate of oil released in the Deepwater Horizon incident, estimated by ensembles of dye release simulations

    NASA Astrophysics Data System (ADS)

    Maltrud, M. E.; Visbeck, M.; Peacock, S.

    2010-12-01

    We have conducted an ensemble of 20 simulations using a high resolution global ocean model in which dye was continuously injected at the site of the Deepwater Horizon drilling rig for two months. We then extended these simulations for another four months to track the dispersal of the dye in the model. We have also performed five simulations in which dye was continuously injected at the site of the spill for four months and then run out to one year from the initial spill date. The experiments can elucidate the approximate time and space scales of dispersal of polluted waters and also give a quantitative estimate of dilution rate. Given the uncertainty in rates of chemical or biological degradation for oil or an oil-dispersant mixture, we do not include a decay term for the dye. Thus, these results should be considered an absolute upper bound on the possible spatial extent of the dispersal of oil or oil-dispersant mixture. The model results indicate that it is likely that oil-polluted waters from the Deepwater Horizon incident will, at some time over six months following the initial spill date, be transported at relatively low concentrations over a significant part of the North-West Atlantic Ocean. However, this does not imply that oil will reach the eastern shores of North America, or that it will even be detectable. We present probabilities for the transport timescales and estimates of ensemble mean arrival times, and we briefly discuss the likely dispersion timescales and pathways of dye released in the sub-surface ocean.

  13. On the possible long-term fate of oil released in the Deepwater Horizon incident, estimated using ensembles of dye release simulations

    NASA Astrophysics Data System (ADS)

    Maltrud, Mathew; Peacock, Synte; Visbeck, Martin

    2010-07-01

    We have conducted an ensemble of 20 simulations using a high resolution global ocean model in which dye was continuously injected at the site of the Deepwater Horizon drilling rig for two months. We then extended these simulations for another four months to track the dispersal of the dye in the model. We have also performed five simulations in which dye was continuously injected at the site of the spill for four months and then run them out to one year from the initial spill date. The experiments can elucidate the approximate timescales and space scales of dispersal of polluted waters and also give a quantitative estimate of the dilution rate. Given the uncertainty in rates of chemical or biological degradation for oil or an oil-dispersant mixture, we do not include a decay term for the dye. Thus, these results should be considered an absolute upper bound on the possible spatial extent of the dispersal of oil or oil-dispersant mixture. The model results indicate that it is likely that oil-polluted waters from the Deepwater Horizon incident will, at some time over the six months following the initial spill date, be transported at relatively low concentrations over a significant part of the North-West Atlantic Ocean. However, this does not imply that oil will reach the eastern shores of North America, or that it will even be detectable. We present probabilities for the transport timescales and estimates of ensemble mean arrival times, and we briefly discuss the likely dispersion timescales and pathways of dye released in the subsurface ocean.

  14. Can Wing Tip Vortices Be Accurately Simulated?

    DTIC Science & Technology

    2011-07-01

    additional tail buffeting.2 In commercial applications, winglets have been installed on passenger aircraft to minimize vortex formation and reduce lift...air. In military applications, wing tip In commercial applications, winglets have been installed on passenger aircraft to minimize increases with downstream distances.

  15. Can Wing Tip Vortices Be Accurately Simulated?

    DTIC Science & Technology

    2011-07-01

    additional tail buffeting.2 In commercial applications, winglets have been installed on passenger aircraft to minimize vortex formation and reduce lift...towed vehicles and cause additional tail buffeting (Ref 2). In commercial applications, winglets have been installed on passenger aircraft to

  16. Statistically accurate simulations for atmospheric flows

    NASA Astrophysics Data System (ADS)

    Dubinkina, S.

    2009-04-01

    A Hamiltonian particle-mesh method for quasi-geostrophic potential vorticity flow is proposed. The microscopic vorticity field at any time is an area- and energy-conserving rearrangement of the initial field. We construct a statistical mechanics theory to explain the long-time behavior of the numerical solution. The statistical theory correctly predicts the spatial distribution of particles as a function of their point vorticity. A nonlinear relation between the coarse grained mean stream function and mean vorticity fields is predicted, consistent with the preservation of higher moments of potential vorticity reported in [R. V. Abramov, A. J. Majda 2003, PNAS 100 3841--3846].

  17. Accurate numerical simulation of the far-field tsunami caused by the 2011 Tohoku earthquake, including the effects of Boussinesq dispersion, seawater density stratification, elastic loading, and gravitational potential change

    NASA Astrophysics Data System (ADS)

    Baba, Toshitaka; Allgeyer, Sebastien; Hossen, Jakir; Cummins, Phil R.; Tsushima, Hiroaki; Imai, Kentaro; Yamashita, Kei; Kato, Toshihiro

    2017-03-01

    In this study, we considered the accurate calculation of far-field tsunami waveforms by using the shallow water equations and accounting for the effects of Boussinesq dispersion, seawater density stratification, elastic loading, and gravitational potential change in a finite difference scheme. By comparing numerical simulations that included and excluded each of these effects with the observed waveforms of the 2011 Tohoku tsunami, we found that all of these effects are significant and resolvable in the far field by the current generation of deep ocean-bottom pressure gauges. Our calculations using previously published, high-resolution models of the 2011 Tohoku tsunami source exhibited excellent agreement with the observed waveforms to a degree that has previously been possible only with near-field or regional observations. We suggest that the ability to model far-field tsunamis with high accuracy has important implications for tsunami source and hazard studies.

  18. Computer simulation of recovery of heavy crude oil using carbon dioxide drive or huff-n-puff. Final report

    SciTech Connect

    Begin, R.; Krueger, D.A.

    1983-11-01

    This study is limited to an investigation of the behavior of the flows in and near a fracture. The numerical model simulates multicomponent, multiphase, compressible flow through a horizontal two-dimensional porous medium which is bounded on one side by a one-dimensional fracture. The absolute permeability of the fracture is assumed to be much greater than that of the reservoir matrix, resulting in the simplification that flow in the matrix is predominately perpendicular to the fracture face. Flow in the matrix parallel to the fracture is ignored in this model. The fluid system consists of three components in three phases. Component 1 is the injected fluid, e.g., CO/sub 2/, and can exist in any of the three phases - gas, oil, and water. Component 2 is the hydrocarbon component and is assumed to be heavy enough so that it exists only in the oil phase. Component 3 is the aqueous component and is restricted to the water phase. All fluid properties, except viscosity and relative permeability, are assumed to be linear functions of pressure and composition. The temperature of the system is taken as constant and effects due to capillary pressure and gravity are not included. The mathematical formulation is based on a set of molar continuity equations (one per component), the phase equilibrium condition, and a volume conservation equation. Reduction of this system of equations to a single equation in pressure leads to a sequential (implicit pressure-explicit moles) method of solution. In-step iterations are performed to increase the implicitness of the method. The algorithm includes time step control and a volume balance check. A flow chart of the computer code as well as the source code and input and output formats are included in the Appendix. Three sample problems are examined. 20 references, 6 figures, 2 tables.

  19. Quick stimulation of Alcanivorax sp. by bioemulsificant EPS₂₀₀₃ on microcosm oil spill simulation.

    PubMed

    Cappello, Simone; Genovese, Maria; Denaro, Renata; Santisi, Santina; Volta, Anna; Bonsignore, Martina; Mancini, Giuseppe; Giuliano, Laura; Genovese, Lucrezia; Yakimov, Michail M

    2014-01-01

    Oil spill microcosms experiments were carried out to evaluate the effect of bioemulsificant exopolysaccharide (EPS₂₀₀₃) on quick stimulation of hydrocarbonoclastic bacteria. Early hours of oil spill, were stimulated using an experimental seawater microcosm, supplemented with crude oil and EPS₂₀₀₃ (SW+OIL+EPS₂₀₀₃); this system was monitored for 2 days and compared to control microcosm (only oil-polluted seawater, SW+OIL). Determination of bacterial abundance, heterotrophic cultivable and hydrocarbon-degrading bacteria were carried out. Community composition of marine bacterioplankton was determined by 16S rRNA gene clone libraries. Data obtained indicated that bioemulsificant addition stimulated an increase of total bacterial abundance and, in particular, selection of bacteria related to Alcanivorax genus; confirming that EPS₂₀₀₃ could be used for the dispersion of oil slicks and could stimulate the selection of marine hydrocarbon degraders thus increasing bioremediation process.

  20. Interfacial tension in oil-water-surfactant systems: on the role of intra-molecular forces on interfacial tension values using DPD simulations.

    PubMed

    Deguillard, E; Pannacci, N; Creton, B; Rousseau, B

    2013-04-14

    We have computed interfacial tension in oil-water-surfactant model systems using dissipative particle dynamics (DPD) simulations. Oil and water molecules are modelled as single DPD beads, whereas surfactant molecules are composed of head and tail beads linked together by a harmonic potential to form a chain molecule. We have investigated the influence of the harmonic potential parameters, namely, the force constant K and the equilibrium distance r0, on the interfacial tension values. For both parameters, the range investigated has been chosen in agreement with typical values in the literature. Surprisingly, we observe a large effect on interfacial tension values, especially at large surfactant concentration. We demonstrate that, due to a subtle balance between intra-molecular and inter-molecular interactions, the local structure of surfactants at the oil-water interface is modified, the interfacial tension is changed and the interface stability is affected.

  1. Method of operating an oil shale kiln

    DOEpatents

    Reeves, Adam A.

    1978-05-23

    Continuously determining the bulk density of raw and retorted oil shale, the specific gravity of the raw oil shale and the richness of the raw oil shale provides accurate means to control process variables of the retorting of oil shale, predicting oil production, determining mining strategy, and aids in controlling shale placement in the kiln for the retorting.

  2. A sub-canopy structure for simulating oil palm in the Community Land Model (CLM-Palm): phenology, allocation and yield

    NASA Astrophysics Data System (ADS)

    Fan, Y.; Roupsard, O.; Bernoux, M.; Le Maire, G.; Panferov, O.; Kotowska, M. M.; Knohl, A.

    2015-11-01

    In order to quantify the effects of forests to oil palm conversion occurring in the tropics on land-atmosphere carbon, water and energy fluxes, we develop a new perennial crop sub-model CLM-Palm for simulating a palm plant functional type (PFT) within the framework of the Community Land Model (CLM4.5). CLM-Palm is tested here on oil palm only but is meant of generic interest for other palm crops (e.g., coconut). The oil palm has monopodial morphology and sequential phenology of around 40 stacked phytomers, each carrying a large leaf and a fruit bunch, forming a multilayer canopy. A sub-canopy phenological and physiological parameterization is thus introduced so that each phytomer has its own prognostic leaf growth and fruit yield capacity but with shared stem and root components. Phenology and carbon and nitrogen allocation operate on the different phytomers in parallel but at unsynchronized steps, separated by a thermal period. An important phenological phase is identified for the oil palm - the storage growth period of bud and "spear" leaves which are photosynthetically inactive before expansion. Agricultural practices such as transplanting, fertilization and leaf pruning are represented. Parameters introduced for the oil palm were calibrated and validated with field measurements of leaf area index (LAI), yield and net primary production (NPP) from Sumatra, Indonesia. In calibration with a mature oil palm plantation, the cumulative yields from 2005 to 2014 matched notably well between simulation and observation (mean percentage error = 3 %). Simulated inter-annual dynamics of PFT-level and phytomer-level LAI were both within the range of field measurements. Validation from eight independent oil palm sites shows the ability of the model to adequately predict the average leaf growth and fruit yield across sites and sufficiently represent the significant nitrogen- and age-related site-to-site variability in NPP and yield. Results also indicate that seasonal dynamics

  3. Accurate Finite Difference Algorithms

    NASA Technical Reports Server (NTRS)

    Goodrich, John W.

    1996-01-01

    Two families of finite difference algorithms for computational aeroacoustics are presented and compared. All of the algorithms are single step explicit methods, they have the same order of accuracy in both space and time, with examples up to eleventh order, and they have multidimensional extensions. One of the algorithm families has spectral like high resolution. Propagation with high order and high resolution algorithms can produce accurate results after O(10(exp 6)) periods of propagation with eight grid points per wavelength.

  4. Accurate monotone cubic interpolation

    NASA Technical Reports Server (NTRS)

    Huynh, Hung T.

    1991-01-01

    Monotone piecewise cubic interpolants are simple and effective. They are generally third-order accurate, except near strict local extrema where accuracy degenerates to second-order due to the monotonicity constraint. Algorithms for piecewise cubic interpolants, which preserve monotonicity as well as uniform third and fourth-order accuracy are presented. The gain of accuracy is obtained by relaxing the monotonicity constraint in a geometric framework in which the median function plays a crucial role.

  5. Impact of extraneous proteins on the gastrointestinal fate of sunflower seed (Helianthus annuus) oil bodies: a simulated gastrointestinal tract study.

    PubMed

    Makkhun, Sakunkhun; Khosla, Amit; Foster, Tim; McClements, David Julian; Grundy, Myriam M L; Gray, David A

    2015-01-01

    In this study, we examined the physicochemical nature of sunflower seed oil bodies (in the absence and presence of added protein) exposed to gastrointestinal conditions in vitro: crude oil bodies (COB); washed oil bodies (WOB); whey protein isolate-enriched oil bodies (WOB-WPI); and, sodium caseinate enriched-oil bodies (WOB-SC). All oil body emulsions were passed through an in vitro digestion model that mimicked the stomach and duodenal environments, and their physicochemical properties were measured before, during, and after digestion. Oil bodies had a positive charge under gastric conditions because the pH was below the isoelectric point of the adsorbed protein layer, but they had a negative charge under duodenal conditions which was attributed to changes in interfacial composition resulting from adsorption of bile salts. Oil bodies were highly susceptible to flocculation and coalescence in both gastric and duodenal conditions. SDS-PAGE analysis indicated degradation of oleosin proteins (ca. 18-21 kDa) to a greater or lesser extent (dependent on the emulsion) during the gastric phase in all emulsions tested; there is evidence that some oleosin remained intact in the crude oil body preparation during this phase of the digestion process. Measurements of protein displacement from the surface of COBs during direct exposure to bile salts, without inclusion of a gastric phase, indicated the removal of intact oleosin from native oil bodies.

  6. Modeling of hydrologic conditions and solute movement in processed oil shale waste embankments under simulated climatic conditions. Third quarterly report, April 1993--June 1993

    SciTech Connect

    Reeves, T.L.; Turner, J.P.; Rangarajan, S.; Skinner, Q.D.; Hasfurther, V.

    1993-08-11

    This report presents research objectives, discusses activities, and presents technical progress for the period April 1, 1993 through June 31, 1993 on Contract No. DE-FC21-86LC11084 with the Department of Energy, Laramie Project Office. The scope of the research program and the continuation is to study interacting hydrologic, geotechnical, and chemical factors affecting the behavior and disposal of combusted processed oil shale. The research combines bench-scale testing with large scale research sufficient to describe commercial scale embankment behavior. The large scale approach was accomplished by establishing five lysimeters, each 7.3 {times} 3.0 {times} 3.0 m deep, filled with processed oil shale that has been retorted and combusted by the Lurgi-Ruhrgas (Lurgi) process. Approximately 400 tons of Lurgi processed oil shale waste was provided by Rio Blanco Oil Shale Co., Inc. (RBOSC) through a separate cooperative agreement with the University of Wyoming (UW) to carry out this study. Three of the lysimeters were established at the RBOSC Tract C-a in the Piceance Basin of Colorado. Two lysimeters were established in the Environmental Simulation Laboratory (ESL) at UW. The ESL was specifically designed and constructed so that a large range of climatic conditions could be physically applied to the processed oil shale which was filled in the lysimeter cells.

  7. Modeling of hydrologic conditions and solute movement in processed oil shale waste embankments under simulated climatic conditions. Annual report, October 1991--September 1992

    SciTech Connect

    Turner, J.P.; Reeves, T.L.; Skinner, Q.D.; Hasfurther, V.

    1992-11-01

    The scope of the original research program and of its continuation is to study interacting hydrologic, geotechnical, and chemical factors affecting the behavior and disposal of combusted processed oil shale. The research combines bench-scale testing with large-scale testing sufficient to describe commercial-scale embankment behavior. The large-scale testing was accomplished by constructing five lysimeters, each 7.3{times}3.0{times}3.0 m deep, filled with processed oil shale that has been retorted and combusted by the Lurgi-Ruhrgas (Lurgi) process (Schmalfield 1975). Approximately 400 tons of Lurgi processed oil shale waste was provided by Rio Blanco Oil Shale Co., Inc. to carry out this study. Three of the lysimeters were established at the RBOSC Tract C-a in the Piceance Basin near Rifle, Colorado. Two lysimeters were established in the Environmental Simulation Laboratory (ESL) at UW. The ESL was specifically designed and constructed so that a large range of climatic conditions could be physically applied to the processed oil shale which was placed in the lysimeter cells. This report discusses and summarizes results from scientific efforts conducted between October 1991 and September 1992 for Fiscal Year 1992.

  8. Modeling of hydrologic conditions and solute movement in processed oil shale waste embankments under simulated climatic conditions. Fourth quarterly report, July--September 1993

    SciTech Connect

    Turner, J.P.; Hasfurther, V.

    1993-10-08

    The scope of the research program and the continuation is to study interacting hydrologic, geotechnical, and chemical factors affecting the behavior and disposal of combusted processed oil shale. The research combines bench-scale testing with large scale research sufficient to describe commercial scale embankment behavior. The large scale approach was accomplished by establishing five lysimeters, each 7.3 {times} 3.0 {times} 3.0 m deep, filled with processed oil shale that has been retorted and combusted by the Lurgi-Ruhrgas (Lurgi) process. Approximately 400 tons of Lurgi processed oil shale waste was provided by Rio Blanco Oil Shale Co., Inc. (RBOSC) through a separate cooperative agreement with the University of Wyoming (UW) to carry out this study. Three of the lysimeters were established at the RBOSC Tract C-a in the Piceance Basin of Colorado. Two lysimeters were established in the Environmental Simulation Laboratory (ESL) at UW. The ESL was specifically designed and constructed so that a large range of climatic conditions could be physically applied to the processed oil shale which was filled in the lysimeter cells.

  9. Modeling of hydrologic conditions and solute movement in processed oil shale waste embankments under simulated climatic conditions. Second quarterly report, January 1, 1992--March 31, 1992

    SciTech Connect

    Turner, J.P.; Hasfurther, V.

    1992-05-04

    The scope of the research program and the continuation is to study interacting hydrologic, geotechnical, and chemical factors affecting the behavior and disposal of combusted processed oil shale. The research combines bench-scale testing with large scale research sufficient to describe commercial scale embankment behavior. The large scale approach was accomplished by establishing five lysimeters, each 7.3 {times} 3.0 {times} 3.0 m deep, filled with processed oil shale that has been retorted and combusted by the Lurgi-Ruhrgas (Lurgi) process. Approximately 400 tons of Lurgi processed oil shale waste was provided by Rio Blanco Oil Shale Co., Inc. (RBOSC) through a separate cooperative agreement with the University of Wyoming (UW) to carry out this study. Three of the lysimeters were established at the RBOSC Tract C-a in the Piceance Basin of Colorado. Two lysimeters were established in the Environmental Simulation Laboratory (ESL) at UW. The ESL was specifically designed and constructed so that a large range of climatic conditions could be physically applied to the processed oil shale which was filled in the lysimeter cells.

  10. Influence of oil composition on the formation of fatty acid esters of 2-chloropropane-1,3-diol (2-MCPD) and 3-chloropropane-1,2-diol (3-MCPD) under conditions simulating oil refining.

    PubMed

    Ermacora, Alessia; Hrncirik, Karel

    2014-10-15

    The toxicological relevance and widespread occurrence of fatty acid esters of 2-chloropropane-1,3-diol (2-MCPD) and 3-chloropropane-1,2-diol (3-MCPD) in refined oils and fats have recently triggered an interest in the mechanism of formation and decomposition of these contaminants during oil processing. In this work, the effect of the main precursors, namely acylglycerols and chlorinated compounds, on the formation yield of MCPD esters was investigated in model systems simulating oil deodorization. The composition of the oils was modified by enzymatic hydrolysis, silica gel purification and application of various refining steps prior to deodorization (namely degumming, neutralization, bleaching). Partial acylglycerols showed greater ability, than did triacylglycerols, to form MCPD esters. However, no direct correlation was found between these two parameters, since the availability of chloride ions was the main limiting factor in the formation reaction. Polar chlorinated compounds were found to be the main chloride donors, although the presence of reactive non-polar chloride-donating species was also observed.

  11. Molecular simulation of hydrophobin adsorption at an oil-water interface.

    PubMed

    Cheung, David L

    2012-06-12

    Hydrophobins are small, amphiphilic proteins expressed by strains of filamentous fungi. They fulfill a number of biological functions, often related to adsorption at hydrophobic interfaces, and have been investigated for a number of applications in materials science and biotechnology. In order to understand the biological function and applications of these proteins, a microscopic picture of the adsorption of these proteins at interfaces is needed. Using molecular dynamics simulations with a chemically detailed coarse-grained potential, the behavior of typical hydrophobins at the water-octane interface is studied. Calculation of the interfacial adsorption strengths indicates that the adsorption is essentially irreversible, with adsorption strengths of the order of 100 k(B)T (comparable to values determined for synthetic nanoparticles but significantly larger than small molecule surfactants and biomolecules). The protein structure at the interface is unchanged at the interface, which is consistent with the biological function of these proteins. Comparison of native proteins with pseudoproteins that consist of uniform particles shows that the surface structure of these proteins has a large effect on the interfacial adsorption strengths, as does the flexibility of the protein.

  12. Surface dynamics of crude and weathered oil in the presence of dispersants: Laboratory experiment and numerical simulation

    NASA Astrophysics Data System (ADS)

    Soloviev, Alexander V.; Haus, Brian. K.; McGauley, Michael G.; Dean, Cayla W.; Ortiz-Suslow, David G.; Laxague, Nathan J. M.; Özgökmen, Tamay M.

    2016-05-01

    Marine oil spills can have dire consequences for the environment. Research on their dynamics is important for the well-being of coastal communities and their economies. Propagation of oil spills is a very complex physical-chemical process. As seen during the Deepwater Horizon event in the Gulf of Mexico during 2010, one of the critical problems remaining for prediction of oil transport and dispersion in the marine environment is the small-scale structure and dynamics of surface oil spills. The laboratory experiments conducted in this work were focused on understanding the differences between the dynamics of crude and weathered oil spills and the effect of dispersants. After deposition on the still water surface, a drop of crude oil quickly spread into a thin slick; while at the same time, a drop of machine (proxy for weathered) oil did not show significant evolution. Subsequent application of dispersant to the crude oil slick resulted in a quick contraction or fragmentation of the slick into narrow wedges and tiny drops. Notably, the slick of machine oil did not show significant change in size or topology after spraying dispersant. An advanced multi-phase, volume of fluid computational fluid dynamics model, incorporating capillary forces, was able to explain some of the features observed in the laboratory experiment. As a result of the laboratory and modeling experiments, the new interpretation of the effect of dispersant on the oil dispersion process including capillary effects has been proposed, which is expected to lead to improved oil spill models and response strategies.

  13. Simulating carbon, water and energy fluxes of a rainforest and an oil palm plantation using the Community Land Model (CLM4.5)

    NASA Astrophysics Data System (ADS)

    Fan, Yuanchao; Bernoux, Martial; Roupsard, Olivier; Panferov, Oleg; Le Maire, Guerric; Tölle, Merja; Knohl, Alexander

    2014-05-01

    Deforestation and forest degradation driven by the expansion of oil palm (Elaeis guineensis) plantations has become the major source of GHG emission in Indonesia. Changes of land surface properties (e.g. vegetation composition, soil property, surface albedo) associated with rainforest to oil palm conversion might alter the patterns of land-atmosphere energy, water and carbon cycles and therefore affect local or regional climate. Land surface modeling has been widely used to characterize the two-way interactions between climate and human disturbances on land surface. The Community Land Model (CLM) is a third-generation land model that simulates a wide range of biogeophysical and biogeochemical processes. This project utilizes the land-cover/land-use change (LCLUC) capability of the latest CLM versions 4/4.5 to characterize quantitatively how anthropogenic land surface dynamics in Indonesia affect land-atmosphere carbon, water and energy fluxes. Before simulating land use changes, the first objective is to parameterize and validate the CLM model at local rainforest and oil palm plantation sites through separate point simulations. This entails creation and parameterization of a new plant functional type (PFT) for oil palm, as well as sensitivity analysis and adaptation of model parameters for the rainforest PFTs. CLM modelled fluxes for the selected sites are to be compared with field observations from eddy covariance (EC) flux towers (e.g. a rainforest site in Bariri, Sulawesi; an oil palm site in Jambi, Sumatra). After validation, the project will proceed to parameterize land-use transformation system using remote sensing data and to simulate the impacts of historical LUCs on carbon, water and energy fluxes. Last but not least, the effects of future LUCs in Indonesia on the fluxes and carbon sequestration capacity will be investigated through scenario study. Historical land cover changes, especially oil palm coverage, are retrieved from Landsat or MODIS archival

  14. Accurate quantum chemical calculations

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Taylor, Peter R.

    1989-01-01

    An important goal of quantum chemical calculations is to provide an understanding of chemical bonding and molecular electronic structure. A second goal, the prediction of energy differences to chemical accuracy, has been much harder to attain. First, the computational resources required to achieve such accuracy are very large, and second, it is not straightforward to demonstrate that an apparently accurate result, in terms of agreement with experiment, does not result from a cancellation of errors. Recent advances in electronic structure methodology, coupled with the power of vector supercomputers, have made it possible to solve a number of electronic structure problems exactly using the full configuration interaction (FCI) method within a subspace of the complete Hilbert space. These exact results can be used to benchmark approximate techniques that are applicable to a wider range of chemical and physical problems. The methodology of many-electron quantum chemistry is reviewed. Methods are considered in detail for performing FCI calculations. The application of FCI methods to several three-electron problems in molecular physics are discussed. A number of benchmark applications of FCI wave functions are described. Atomic basis sets and the development of improved methods for handling very large basis sets are discussed: these are then applied to a number of chemical and spectroscopic problems; to transition metals; and to problems involving potential energy surfaces. Although the experiences described give considerable grounds for optimism about the general ability to perform accurate calculations, there are several problems that have proved less tractable, at least with current computer resources, and these and possible solutions are discussed.

  15. Real time EM waves monitoring system for oil industry three phase flow measurement

    NASA Astrophysics Data System (ADS)

    Al-Hajeri, S.; Wylie, S. R.; Shaw, A.; Al-Shamma'a, A. I.

    2009-07-01

    Monitoring fluid flow in a dynamic pipeline is a significant problem in the oil industry. In order to manage oil field wells efficiently, the oil industry requires accurate on line sensors to monitor the oil, gas, and water flow in the production pipelines. This paper describes a non-intrusive sensor that is based on an EM Waves cavity resonator. It determines and monitors the percentage volumes of each phase of three phase (oil, gas, and water) in the pipeline, using the resonant frequencies shifts that occur within an electromagnetic cavity resonator. A laboratory prototype version of the sensor system was constructed, and the experimental results were compared to the simulation results which were obtained by the use of High Frequency Structure Simulation (HFSS) software package.

  16. Unraveling the interactive effects of climate change and oil contamination on laboratory-simulated estuarine benthic communities.

    PubMed

    Coelho, Francisco J R C; Cleary, Daniel F R; Rocha, Rui J M; Calado, Ricardo; Castanheira, José M; Rocha, Sílvia M; Silva, Artur M S; Simões, Mário M Q; Oliveira, Vanessa; Lillebø, Ana I; Almeida, Adelaide; Cunha, Ângela; Lopes, Isabel; Ribeiro, Rui; Moreira-Santos, Matilde; Marques, Catarina R; Costa, Rodrigo; Pereira, Ruth; Gomes, Newton C M

    2015-05-01

    There is growing concern that modifications to the global environment such as ocean acidification and increased ultraviolet radiation may interact with anthropogenic pollutants to adversely affect the future marine environment. Despite this, little is known about the nature of the potential risks posed by such interactions. Here, we performed a multifactorial microcosm experiment to assess the impact of ocean acidification, ultraviolet B (UV-B) radiation and oil hydrocarbon contamination on sediment chemistry, the microbial community (composition and function) and biochemical marker response of selected indicator species. We found that increased ocean acidification and oil contamination in the absence of UV-B will significantly alter bacterial composition by, among other things, greatly reducing the relative abundance of Desulfobacterales, known to be important oil hydrocarbon degraders. Along with changes in bacterial composition, we identified concomitant shifts in the composition of oil hydrocarbons in the sediment and an increase in oxidative stress effects on our indicator species. Interestingly, our study identifies UV-B as a critical component in the interaction between these factors, as its presence alleviates harmful effects caused by the combination of reduced pH and oil pollution. The model system used here shows that the interactive effect of reduced pH and oil contamination can adversely affect the structure and functioning of sediment benthic communities, with the potential to exacerbate the toxicity of oil hydrocarbons in marine ecosystems.

  17. Do Shale Pore Throats Have a Threshold Diameter for Oil Storage?

    NASA Astrophysics Data System (ADS)

    Zou, Caineng; Jin, Xu; Zhu, Rukai; Gong, Guangming; Sun, Liang; Dai, Jinxing; Meng, Depeng; Wang, Xiaoqi; Li, Jianming; Wu, Songtao; Liu, Xiaodan; Wu, Juntao; Jiang, Lei

    2015-08-01

    In this work, a nanoporous template with a controllable channel diameter was used to simulate the oil storage ability of shale pore throats. On the basis of the wetting behaviours at the nanoscale solid-liquid interfaces, the seepage of oil in nano-channels of different diameters was examined to accurately and systematically determine the effect of the pore diameter on the oil storage capacity. The results indicated that the lower threshold for oil storage was a pore throat of 20 nm, under certain conditions. This proposed pore size threshold provides novel, evidence-based criteria for estimating the geological reserves, recoverable reserves and economically recoverable reserves of shale oil. This new understanding of shale oil processes could revolutionize the related industries.

  18. Do Shale Pore Throats Have a Threshold Diameter for Oil Storage?

    PubMed

    Zou, Caineng; Jin, Xu; Zhu, Rukai; Gong, Guangming; Sun, Liang; Dai, Jinxing; Meng, Depeng; Wang, Xiaoqi; Li, Jianming; Wu, Songtao; Liu, Xiaodan; Wu, Juntao; Jiang, Lei

    2015-08-28

    In this work, a nanoporous template with a controllable channel diameter was used to simulate the oil storage ability of shale pore throats. On the basis of the wetting behaviours at the nanoscale solid-liquid interfaces, the seepage of oil in nano-channels of different diameters was examined to accurately and systematically determine the effect of the pore diameter on the oil storage capacity. The results indicated that the lower threshold for oil storage was a pore throat of 20 nm, under certain conditions. This proposed pore size threshold provides novel, evidence-based criteria for estimating the geological reserves, recoverable reserves and economically recoverable reserves of shale oil. This new understanding of shale oil processes could revolutionize the related industries.

  19. BIOACCESSIBILITY TESTS ACCURATELY ESTIMATE ...

    EPA Pesticide Factsheets

    Hazards of soil-borne Pb to wild birds may be more accurately quantified if the bioavailability of that Pb is known. To better understand the bioavailability of Pb to birds, we measured blood Pb concentrations in Japanese quail (Coturnix japonica) fed diets containing Pb-contaminated soils. Relative bioavailabilities were expressed by comparison with blood Pb concentrations in quail fed a Pb acetate reference diet. Diets containing soil from five Pb-contaminated Superfund sites had relative bioavailabilities from 33%-63%, with a mean of about 50%. Treatment of two of the soils with P significantly reduced the bioavailability of Pb. The bioaccessibility of the Pb in the test soils was then measured in six in vitro tests and regressed on bioavailability. They were: the “Relative Bioavailability Leaching Procedure” (RBALP) at pH 1.5, the same test conducted at pH 2.5, the “Ohio State University In vitro Gastrointestinal” method (OSU IVG), the “Urban Soil Bioaccessible Lead Test”, the modified “Physiologically Based Extraction Test” and the “Waterfowl Physiologically Based Extraction Test.” All regressions had positive slopes. Based on criteria of slope and coefficient of determination, the RBALP pH 2.5 and OSU IVG tests performed very well. Speciation by X-ray absorption spectroscopy demonstrated that, on average, most of the Pb in the sampled soils was sorbed to minerals (30%), bound to organic matter 24%, or present as Pb sulfate 18%. Ad

  20. Modeling of hydrologic conditions and solute movement in processed oil shale waste embankments under simulated climatic conditions. Final report, November 1995

    SciTech Connect

    1995-12-31

    A study is described on the hydrological and geotechnical behavior of an oil shale solid waste. The objective was to obtain information which can be used to assess the environmental impacts of oil shale solid waste disposal in the Green River Basin. The spent shale used in this study was combusted by the Lurgi-Ruhrgas process by Rio Blanco Oil Shale Company, Inc. Laboratory bench-scale testing included index properties, such as grain size distribution and Atterberg limits, and tests for engineering properties including hydraulic conductivity and shear strength. Large-scale tests were conducted on model spent shale waste embankments to evaluate hydrological response, including infiltration, runoff, and seepage. Large-scale tests were conducted at a field site in western Colorado and in the Environmental Simulation Laboratory (ESL)at the University of Wyoming. The ESL tests allowed the investigators to control rainfall and temperature, providing information on the hydrological response of spent shale under simulated severe climatic conditions. All experimental methods, materials, facilities, and instrumentation are described in detail, and results are given and discussed. 34 refs.

  1. Structural properties of polymer-brush-grafted gold nanoparticles at the oil-water interface: insights from coarse-grained simulations.

    PubMed

    Quan, Xuebo; Peng, ChunWang; Dong, Jiaqi; Zhou, Jian

    2016-04-14

    In this work, the structural properties of amphiphilic polymer-brush-grafted gold nanoparticles (AuNPs) at the oil-water interface were investigated by coarse-grained simulations. The effects of grafting architecture (diblock, mixed and Janus brush-grafted AuNPs) and hydrophilicity of polymer brushes are discussed. Simulation results indicate that functionalized AuNPs present abundant morphologies including typical core-shell, Janus-type, jellyfish-like, etc., in a water or oil-water solvent environment. It is found that hydrophobic/weak hydrophilic polymer-brush-grafted AuNPs have better phase transfer performance, especially for AuNPs modified with hydrophobic chains as outer blocks and weak hydrophilic chains as inner blocks. This kind of AuNP can cross the interface region and move into the oil phase completely. For hydrophobic/strong hydrophilic polymer-brush-grafted AuNPs, they are trapped in the interface region instead of moving into any phase. The mechanism of phase transfer is ascribed to the flexibility and mobility of outer blocks. Besides, we study the desorption energy by PMF analysis. The results demonstrate that Janus brush-grafted AuNPs show the highest interfacial stability and activity, which can be further strengthened by increasing the hydrophilicity of grafted polymer brushes. This work will promote the industrial applications of polymer-brush-grafted NPs such as phase transfer catalysis and Pickering emulsion catalysis.

  2. Abundance quantification by independent component analysis of hyperspectral imagery for oil spill coverage calculation

    NASA Astrophysics Data System (ADS)

    Han, Zhongzhi; Wan, Jianhua; Zhang, Jie; Zhang, Hande

    2016-08-01

    The estimation of oil spill coverage is an important part of monitoring of oil spills at sea. The spatial resolution of images collected by airborne hyper-spectral remote sensing limits both the detection of oil spills and the accuracy of estimates of their size. We consider at-sea oil spills with zonal distribution in this paper and improve the traditional independent component analysis algorithm. For each independent component we added two constraint conditions: non-negativity and constant sum. We use priority weighting by higher-order statistics, and then the spectral angle match method to overcome the order nondeterminacy. By these steps, endmembers can be extracted and abundance quantified simultaneously. To examine the coverage of a real oil spill and correct our estimate, a simulation experiment and a real experiment were designed using the algorithm described above. The result indicated that, for the simulation data, the abundance estimation error is 2.52% and minimum root mean square error of the reconstructed image is 0.030 6. We estimated the oil spill rate and area based on eight hyper-spectral remote sensing images collected by an airborne survey of Shandong Changdao in 2011. The total oil spill area was 0.224 km2, and the oil spill rate was 22.89%. The method we demonstrate in this paper can be used for the automatic monitoring of oil spill coverage rates. It also allows the accurate estimation of the oil spill area.

  3. Accurate spectral color measurements

    NASA Astrophysics Data System (ADS)

    Hiltunen, Jouni; Jaeaeskelaeinen, Timo; Parkkinen, Jussi P. S.

    1999-08-01

    Surface color measurement is of importance in a very wide range of industrial applications including paint, paper, printing, photography, textiles, plastics and so on. For a demanding color measurements spectral approach is often needed. One can measure a color spectrum with a spectrophotometer using calibrated standard samples as a reference. Because it is impossible to define absolute color values of a sample, we always work with approximations. The human eye can perceive color difference as small as 0.5 CIELAB units and thus distinguish millions of colors. This 0.5 unit difference should be a goal for the precise color measurements. This limit is not a problem if we only want to measure the color difference of two samples, but if we want to know in a same time exact color coordinate values accuracy problems arise. The values of two instruments can be astonishingly different. The accuracy of the instrument used in color measurement may depend on various errors such as photometric non-linearity, wavelength error, integrating sphere dark level error, integrating sphere error in both specular included and specular excluded modes. Thus the correction formulas should be used to get more accurate results. Another question is how many channels i.e. wavelengths we are using to measure a spectrum. It is obvious that the sampling interval should be short to get more precise results. Furthermore, the result we get is always compromise of measuring time, conditions and cost. Sometimes we have to use portable syste or the shape and the size of samples makes it impossible to use sensitive equipment. In this study a small set of calibrated color tiles measured with the Perkin Elmer Lamda 18 and the Minolta CM-2002 spectrophotometers are compared. In the paper we explain the typical error sources of spectral color measurements, and show which are the accuracy demands a good colorimeter should have.

  4. Simulated aging of lubricant oils by chemometric treatment of infrared spectra: potential antioxidant properties of sulfur structures.

    PubMed

    Amat, Sandrine; Braham, Zeineb; Le Dréau, Yveline; Kister, Jacky; Dupuy, Nathalie

    2013-03-30

    Lubricant oils are complex mixtures of base oils and additives. The evolution of their performance over time strongly depends on its resistance to thermal oxidation. Sulfur compounds revealed interesting antioxidant properties. This study presents a method to evaluate the lubricant oil oxidation. Two samples, a synthetic and a paraffinic base oils, were tested pure and supplemented with seven different sulfur compounds. An aging cell adapted to a Fourier Transform InfraRed (FT-IR) spectrometer allows the continuous and direct analysis of the oxidative aging of base oils. Two approaches were applied to study the oxidation/anti-oxidation phenomena. The first one leads to define a new oxidative spectroscopic index based on a reduced spectral range where the modifications have been noticed (from 3050 to 2750 cm(-1)). The second method is based on chemometric treatments of whole spectra (from 4000 to 400 cm(-1)) to extract underlying information. A SIMPLe-to-use Interactive Self Modeling Analysis (SIMPLISMA) method has been used to identify more precisely the chemical species produced or degraded during the thermal treatment and to follow their evolution. Pure spectra of different species present in oil were obtained without prior information of their existence. The interest of this tool is to supply relative quantitative information reflecting evolution of the relative abundance of the different products over thermal aging. Results obtained by these two ways have been compared to estimate their concordance.

  5. A NEW GENERATION CHEMICAL FLOODING SIMULATOR

    SciTech Connect

    Gary A. Pope; Kamy Sepehrnoori; Mojdeh Delshad

    2005-01-01

    The premise of this research is that a general-purpose reservoir simulator for several improved oil recovery processes can and should be developed so that high-resolution simulations of a variety of very large and difficult problems can be achieved using state-of-the-art algorithms and computers. Such a simulator is not currently available to the industry. The goal of this proposed research is to develop a new-generation chemical flooding simulator that is capable of efficiently and accurately simulating oil reservoirs with at least a million gridblocks in less than one day on massively parallel computers. Task 1 is the formulation and development of solution scheme, Task 2 is the implementation of the chemical module, and Task 3 is validation and application. In this final report, we will detail our progress on Tasks 1 through 3 of the project.

  6. A NEW GENERATION CHEMICAL FLOODING SIMULATOR

    SciTech Connect

    Gary A. Pope; Kamy Sepehrnoori; Mojdeh Delshad

    2002-09-30

    The premise of this research is that a general-purpose reservoir simulator for several improved oil recovery processes can and should be developed so that high-resolution simulations of a variety of very large and difficult problems can be achieved using state-of-the-art computing and computers. Such a simulator is not currently available to the industry. The goal of this proposed research is to develop a new-generation chemical flooding simulator that is capable of efficiently and accurately simulating oil reservoirs with at least a million gridblocks in less than one day on massively parallel computers. Task 1 is the formulation and development of solution scheme, Task 2 is the implementation of the chemical module, and Task 3 is validation and application.

  7. Effects of simulated weathering on the toxicity of selected crude oils and their components to sea urchin embryos.

    PubMed

    Rial, Diego; Radović, Jagoš R; Bayona, Josep M; Macrae, Kenneth; Thomas, Kevin V; Beiras, Ricardo

    2013-09-15

    Artificial weathering of Angolan crude and a Heavy Fuel Oil (HFO) was performed by evaporation and photooxidation. The aliphatic, aromatic, polar and asphaltene fractions of the fresh and weathered oils were isolated. The toxicity of the water accommodated fraction or an oil/fraction dissolved in DMSO was assessed using the sea urchin embryo test. Photooxidation was observed to decrease the aromatics content and increase polar compounds. A slight reduction in the toxicity of Angolan crude was observed following weathering for the water-accommodated fraction and the extract in DMSO, but no effect was seen for the Heavy Fuel Oil. For aliphatic compounds, the toxicity decreased in the order fresh>evaporated>photooxidated for both Angolan crude and HFO. Weathering slightly increased the toxicity of the aromatic and polar fractions of the oil. The aromatic fractions were responsible for most of the toxicity and the polar compounds were the second most important toxic components, despite having less or similar abundance than the aliphatic fraction. The toxic contribution of the aromatic compounds was higher for the HFO than for the Angolan crude. A decrease in the toxicity of Angolan crude following weathering correlated with a reduction in the toxicity of the aliphatic fraction.

  8. Bottom-up simulations of methane and ethane emissions from global oil and gas systems 1980 to 2012

    NASA Astrophysics Data System (ADS)

    Höglund-Isaksson, Lena

    2017-02-01

    Existing bottom-up emission inventories of methane from global oil and gas systems do not satisfactorily explain year-on-year variation in atmospheric methane estimated by top-down models. Using a novel bottom-up approach this study quantifies and attributes methane and ethane emissions from global oil and gas production from 1980 to 2012. Country-specific information on associated gas flows from published sources are combined with inter-annual variations in observed flaring of associated gas from satellite images from 1994 to 2010, to arrive at country-specific annual estimates of methane and ethane emissions from flows of associated gas. Results confirm trends from top-down models and indicate considerably higher methane and ethane emissions from oil production than previously shown in bottom-up inventories for this time period.

  9. Modeling and simulation of multiphase multicomponent multiphysics porous media flows in the context of chemical enhanced oil recovery

    NASA Astrophysics Data System (ADS)

    Dutta, Sourav; Daripa, Prabir; Fluids Team

    2015-11-01

    One of the most important methods of chemical enhanced oil recovery (EOR) involves the use of complex flooding schemes comprising of various layers of fluids mixed with suitable amounts of polymer or surfactant or both. The fluid flow is characterized by the spontaneous formation of complex viscous fingering patterns which is considered detrimental to oil recovery. Here we numerically study the physics of such EOR processes using a modern, hybrid method based on a combination of a discontinuous, multiscale finite element formulation and the method of characteristics. We investigate the effect of different types of heterogeneity on the fingering mechanism of these complex multiphase flows and determine the impact on oil recovery. We also study the effect of surfactants on the dynamics of the flow via reduction of capillary forces and increase in relative permeabilities. Supported by the grant NPRP 08-777-1-141 from the Qatar National Research Fund (a member of The Qatar Foundation).

  10. Foam flooding reservoir simulation algorithm improvement and application

    NASA Astrophysics Data System (ADS)

    Wang, Yining; Wu, Xiaodong; Wang, Ruihe; Lai, Fengpeng; Zhang, Hanhan

    2014-05-01

    As one of the important enhanced oil recovery (EOR) technologies, Foam flooding is being used more and more widely in the oil field development. In order to describe and predict foam flooding, experts at domestic and abroad have established a number of mathematical models of foam flooding (mechanism, empirical and semi-empirical models). Empirical models require less data and apply conveniently, but the accuracy is not enough. The aggregate equilibrium model can describe foam generation, burst and coalescence by mechanism studying, but it is very difficult to accurately describe. The research considers the effects of critical water saturation, critical concentration of foaming agent and critical oil saturation on the sealing ability of foam and considers the effect of oil saturation on the resistance factor for obtaining the gas phase relative permeability and the results were amended by laboratory test, so the accuracy rate is higher. Through the reservoir development concepts simulation and field practical application, the calculation is more accurate and higher.

  11. Geohydrology, water quality, and simulation of ground-water flow in the vicinity of a former waste-oil refinery near Westville, Indiana, 1997-2000

    USGS Publications Warehouse

    Duwelius, Richard F.; Yeskis, Douglas J.; Wilson, John T.; Robinson, Bret A.

    2002-01-01

    A three-dimensional, four layer groundwater- flow model was constructed and calibrated to match ground-water levels and streamflow measured during December 1997. The model was used to simulate possible mechanisms of contaminant release, the effect of increased pumpage from water-supply wells, and pumping at the leading edge of the plume as a possible means of remediation. Based on simulation of threewaste-oil lagoons, a vertical hydraulic conductivity of 0.2 feet per day was required to move contaminants into the bottom layer of the model at a constant leakage rate of about 98 gallons per minute. Simulations of a disposal well in layer 3 of the model indicated an injection rate of 50 gallons per minute was necessary to spread contaminants vertically in the aquifer. Simulated pumping rates of about 300 and 1,000 gallons per minute were required for watersupply wells at the Town of Westville and the Westville Correctional Facility to draw water from the plume of 1,4-dioxane. Simulated pumping from hypothetical wells at the leading edge of the plume indicated that three wells, each pumping 25 gallons per minute from model layer 3, would capture the plume of 1,4-dioxane.

  12. Global model simulations of the long range transport of soot and sulfur from the Kuwait oil fires

    SciTech Connect

    Penner, J.E.

    1991-06-01

    It has been reported that up to 6 million barrels of oil per day may be on fire in Kuwait. If 5% of the oil becomes soot and the emissions continue for a year, the total amount injected into the atmosphere would be 18 Tg. If less oil is on fire, but the emission factor is actually 10--15%, a similarly large total amount of soot may be injected over the coarse of a year. The potential emissions of soot from the Kuwait oil fires are large relative to the global emissions of this substance. The spread of soot may reach as far as Mauna Loa in some seasons. In other seasons, the loading of soot within a large area centered about the fires may more than double. This soot will certainly have regional implications for climate, but its global consequences should be investigated. Enhancements to existing monitoring stations throughout the region should be pursued in order to quantify the amount and spread of the soot. The sulfur emissions from the fires are a large source relative to other sources in the area. The monitoring of SO{sub 2} and SO{sub 4}= throughout the region could help quantify the spread of this pollutant as well. 11 refs., 10 figs.

  13. A computational model of the digestive gland epithelial cell of marine mussels and its simulated responses to oil-derived aromatic hydrocarbons.

    PubMed

    Moore, Michael N; Allen, J Icarus

    2002-01-01

    This paper describes a computational model of digestive gland epithelial cells (digestive cells) of marine mussels. These cells are the major environmental interface for uptake of contaminants, particularly those associated with natural particulates that are filtered from seawater by mussels. Digestive cells show well characterised reactions to exposure to lipophilic xenobiotics, such as oil-derived aromatic hydrocarbons (AHs), which accumulate in these cells with minimal biotransformation. The simulation model is based on processes associated with the flux of carbon through the cell. Physiological parameters such as fluctuating food concentration, cell volume, respiration, secretion/excretion, storage of glycogen and lipid, protein/organelle turnover (autophagy/resynthesis) and export of carbon to other tissues of the mussel are all included in the model. The major response to AHs is induction of increased autophagy in these cells. Simulations indicate that the reactions to AHs and food deprivation correspond well with responses measured in vivo.

  14. Bubble bursting as an aerosol generation mechanism during an oil spill in the deep-sea environment: molecular dynamics simulations of oil alkanes and dispersants in atmospheric air/salt water interfaces.

    PubMed

    Liyana-Arachchi, Thilanga P; Zhang, Zenghui; Ehrenhauser, Franz S; Avij, Paria; Valsaraj, Kalliat T; Hung, Francisco R

    2014-01-01

    Potential of mean force (PMF) calculations and molecular dynamics (MD) simulations were performed to investigate the properties of oil n-alkanes [i.e., n-pentadecane (C15), n-icosane (C20) and n-triacontane (C30)], as well as several surfactant species [i.e., the standard anionic surfactant sodium dodecyl sulfate (SDS), and three model dispersants similar to the Tween and Span species present in Corexit 9500A] at air/salt water interfaces. This study was motivated by the 2010 Deepwater Horizon (DWH) oil spill, and our simulation results show that, from the thermodynamic point of view, the n-alkanes and the model dispersants have a strong preference to remain at the air/salt water interface, as indicated by the presence of deep free energy minima at these interfaces. The free energy minimum of these n-alkanes becomes deeper as their chain length increases, and as the concentration of surfactant species at the interface increases. The n-alkanes tend to adopt a flat orientation and form aggregates at the bare air/salt water interface. When this interface is coated with surfactants, the n-alkanes tend to adopt more tilted orientations with respect to the vector normal to the interface. These simulation results are consistent with the experimental findings reported in the accompanying paper [Ehrenhauser et al., Environ. Sci.: Processes Impacts 2013, in press, (DOI: 10.1039/c3em00390f)]. The fact that these long-chain n-alkanes show a strong thermodynamic preference to remain at the air/salt water interfaces, especially if these interfaces are coated with surfactants, makes these species very likely to adsorb at the surface of bubbles or droplets and be ejected to the atmosphere by sea surface processes such as whitecaps (breaking waves) and bubble bursting. Finally, the experimental finding that more oil hydrocarbons are ejected when Corexit 9500A is present in the system is consistent with the deeper free energy minima observed for the n-alkanes at the air/salt water

  15. DEROCS: A computer program to simulate offshore oil and natural gas development scenarios and onshore service base requirements

    USGS Publications Warehouse

    Marcus, Philip A.; Smith, E.T.; Robinson, S.R.; Wong, A.T.

    1977-01-01

    The FORTRAN IV (H) computer program, DEROCS, constructs Outer Continental Shelf (OCS) resource development scenarios and quantifies the requirements for and impacts of the operation of the onshore service bases necessary to support offshore oil and gas operations. The acronym DEROCS stands for 'Development of Energy Resources of the Outer Continental Shelf.' The user may specify the number, timing, and amounts of offshore oil and natural gas finds, onshore service base locations, and multiplier relationships between offshore development activities and onshore land, supply, labor and facility requirements. The program determines schedules of platform installation, development drilling, production from platforms, and well workover, and calculates on a yearly basis the requirements for and impacts of the operation of the onshore service bases demanded by offshore activities. We present two examples of program application.

  16. Running Out Of and Into Oil. Analyzing Global Oil Depletion and Transition Through 2050

    SciTech Connect

    Greene, David L.; Hopson, Janet L.; Li, Jia

    2003-10-01

    This report presents a risk analysis of world conventional oil resource production, depletion, expansion, and a possible transition to unconventional oil resources such as oil sands, heavy oil and shale oil over the period 2000 to 2050. Risk analysis uses Monte Carlo simulation methods to produce a probability distribution of outcomes rather than a single value.

  17. Ozone photochemistry in an oil and natural gas extraction region during winter: simulations of a snow-free season in the Uintah Basin, Utah

    NASA Astrophysics Data System (ADS)

    Edwards, P. M.; Young, C. J.; Aikin, K.; deGouw, J. A.; Dubé, W. P.; Geiger, F.; Gilman, J. B.; Helmig, D.; Holloway, J. S.; Kercher, J.; Lerner, B.; Martin, R.; McLaren, R.; Parrish, D. D.; Peischl, J.; Roberts, J. M.; Ryerson, T. B.; Thornton, J.; Warneke, C.; Williams, E. J.; Brown, S. S.

    2013-03-01

    The Uintah Basin in northeastern Utah, a region of intense oil and gas extraction, experienced ozone (O3) concentrations above levels harmful to human health for multiple days during the winters of 2009-2010 and 2010-2011. These wintertime O3 pollution episodes occur during cold, stable periods when the ground is snowcovered, and have been linked to emissions from the oil and gas extraction process. The Uintah Basin Winter Ozone Study (UBWOS) was a field intensive in early 2012, whose goal was to address current uncertainties in the chemical and physical processes that drive wintertime O3 production in regions of oil and gas development. Although elevated O3 concentrations were not observed during the winter of 2011-2012, the comprehensive set of observations tests of our understanding of O3 photochemistry in this unusual emissions environment. A box model, constrained to the observations and using the explicit Master Chemical Mechanism (MCM) V3.2 chemistry scheme, has been used to investigate the sensitivities of O3 production during UBWOS 2012. Simulations identify the O3 production photochemistry to be highly radical limited. Production of OH from O3 photolysis (through reaction of O(1D) with water vapor) contributed only 170 pptv day-1, 8% of the total primary radical source on average. Other radical sources, including the photolysis of formaldehyde (HCHO, 52%), nitrous acid (HONO, 26%), and nitryl chloride (ClNO2, 13%) were larger. O3 production was also found to be highly sensitive to aromatic volatile organic compound (VOC) concentrations, due to radical amplification reactions in the oxidation scheme of these species. Radical production was shown to be small in comparison to the emissions of nitrogen oxides (NOx), such that NOx acted as the primary radical sink. Consequently, the system was highly VOC sensitive, despite the much larger mixing ratio of total non-methane hydrocarbons (230 ppbv (2080 ppbC), 6 week average) relative to NOx (5.6 ppbv average

  18. Exploring Oil Spills.

    ERIC Educational Resources Information Center

    Czerniak, Charlene M.; And Others

    1996-01-01

    Presents activities in which elementary and middle school students work together to gain environmental awareness about oil spills. Involves students experiencing a simulated oil spill and attempting to clean it up. Discusses the use of children's literature after the activity in evaluation of the activity. (JRH)

  19. MICROBIAL POPULATION CHANGES DURING BIOREMEDIATION OF AN EXPERIMENTAL OIL SPILL

    EPA Science Inventory

    Three crude oil bioremediation techniques were applied in a randomized block field experiment simulating a coastal oil-spill. Four treatments (no oil control, oil alone, oil + nutrients, and oil + nutrients + an indigenous inoculum) were applied. In-situ microbial community str...

  20. Utah Heavy Oil Program

    SciTech Connect

    J. Bauman; S. Burian; M. Deo; E. Eddings; R. Gani; R. Goel; C.K. Huang; M. Hogue; R. Keiter; L. Li; J. Ruple; T. Ring; P. Rose; M. Skliar; P.J. Smith; J.P. Spinti; P. Tiwari; J. Wilkey; K. Uchitel

    2009-10-20

    The Utah Heavy Oil Program (UHOP) was established in June 2006 to provide multidisciplinary research support to federal and state constituents for addressing the wide-ranging issues surrounding the creation of an industry for unconventional oil production in the United States. Additionally, UHOP was to serve as an on-going source of unbiased information to the nation surrounding technical, economic, legal and environmental aspects of developing heavy oil, oil sands, and oil shale resources. UHOP fulGilled its role by completing three tasks. First, in response to the Energy Policy Act of 2005 Section 369(p), UHOP published an update report to the 1987 technical and economic assessment of domestic heavy oil resources that was prepared by the Interstate Oil and Gas Compact Commission. The UHOP report, entitled 'A Technical, Economic, and Legal Assessment of North American Heavy Oil, Oil Sands, and Oil Shale Resources' was published in electronic and hard copy form in October 2007. Second, UHOP developed of a comprehensive, publicly accessible online repository of unconventional oil resources in North America based on the DSpace software platform. An interactive map was also developed as a source of geospatial information and as a means to interact with the repository from a geospatial setting. All documents uploaded to the repository are fully searchable by author, title, and keywords. Third, UHOP sponsored Give research projects related to unconventional fuels development. Two projects looked at issues associated with oil shale production, including oil shale pyrolysis kinetics, resource heterogeneity, and reservoir simulation. One project evaluated in situ production from Utah oil sands. Another project focused on water availability and produced water treatments. The last project considered commercial oil shale leasing from a policy, environmental, and economic perspective.

  1. Oil-soluble and water-soluble BTPhens and their europium complexes in octanol/water solutions: interface crossing studied by MD and PMF simulations.

    PubMed

    Benay, G; Wipff, G

    2013-01-31

    Bistriazinyl-phenantroline "BTPhen" ligands L display the remarkable feature to complex trivalent lanthanide and actinide ions, with a marked selectivity for the latter. We report on molecular dynamics studies of tetrasubstituted X(4)BTPhens: L(4+) (X = (+)Et(3)NCH(2)-), L(4-) (X = (-)SO(3)Ph-), and L(0) (X = CyMe(4)) and their complexes with Eu(III) in binary octanol/water solutions. Changes in free energies upon interface crossing are also calculated for typical solutes by potential of mean force PMF simulations. The ligands and their complexes partition, as expected, to either the aqueous or the oil phase, depending on the "solubilizing" group X. Furthermore, most of them are found to be surface active. The water-soluble L(4+) and L(4-) ligands and their (L)Eu(NO(3))(3) complexes adsorb at the aqueous side of the interface, more with L(4-) than with L(4+). The oil soluble ligand L(0) is not surface active in its endo-endo form but adsorbs on the oil side of the interface in its most polar endo-exo form, as well as in its protonated L(0)H(+) and complexed (L(0))Eu(NO(3))(3) states. Furthermore, comparing PMFs of the Eu(III) complexes with and without nitric acid shows that acidifying the aqueous phase has different effects, depending on the ligand charge. In particular, acid promotes the Eu(III) extraction by L(0) via the (L(0))(2)Eu(NO(3))(2+) complex, as observed experimentally. Overall, the results point to the importance of interfacial adsorption for the liquid-liquid extraction of trivalent lanthanide and actinide cations by BTPhens and analogues.

  2. Reservoir characterization and enhanced oil recovery research

    SciTech Connect

    Lake, L.W.; Pope, G.A.; Schechter, R.S.

    1992-03-01

    The research in this annual report falls into three tasks each dealing with a different aspect of enhanced oil recovery. The first task strives to develop procedures for accurately modeling reservoirs for use as input to numerical simulation flow models. This action describes how we have used a detail characterization of an outcrop to provide insights into what features are important to fluid flow modeling. The second task deals with scaling-up and modeling chemical and solvent EOR processes. In a sense this task is the natural extension of task 1 and, in fact, one of the subtasks uses many of the same statistical procedures for insight into the effects of viscous fingering and heterogeneity. The final task involves surfactants and their interactions with carbon dioxide and reservoir minerals. This research deals primarily with phenomena observed when aqueous surfactant solutions are injected into oil reservoirs.

  3. Study on the thermal degradation of 3-MCPD esters in model systems simulating deodorization of vegetable oils.

    PubMed

    Ermacora, Alessia; Hrncirik, Karel

    2014-05-01

    The establishment of effective strategies for the mitigation of 3-MCPD esters in refined vegetable oils is restricted by limited knowledge of their mechanisms of formation and decomposition. In order to gain better understanding on the thermal stability of these compounds, a model system for mimicking oil refining conditions was developed. Pure 3-MCPD esters (3-MCPD dipalmitate and 3-MCPD dilaurate) were subjected to thermal treatment (180-260°C) and the degradation products where monitored over time (0-24h). After 24h of treatment, both 3-MCPD esters showed a significant degradation (ranging from 30% to 70%), correlating with the temperature applied. The degradation pathway, similar for both compounds, was found to involve isomerisation (very rapid, equilibrium was reached within 2h at 260°C), dechlorination and deacylation reactions. The higher relative abundance of non-chlorinated compounds, namely acylglycerols, in the first stages of the treatment suggested that dechlorination is preferred over deacylation with the conditions applied in this study.

  4. Aminosilica materials as adsorbents for the selective removal of aldehydes and ketones from simulated bio-oil.

    PubMed

    Drese, Jeffrey H; Talley, Anne D; Jones, Christopher W

    2011-03-21

    The fast pyrolysis of biomass is a potential route to the production of liquid biorenewable fuel sources. However, degradation of the bio-oil mixtures due to reaction of oxygenates, such as aldehydes and ketones, reduces the stability of the liquids and can impact long-term storage and shipping. Herein, solid aminosilica adsorbents are described for the selective adsorptive removal of reactive aldehyde and ketone species. Three aminosilica adsorbents are prepared through the reaction of amine-containing silanes with pore-expanded mesoporous silica. A fourth aminosilica adsorbent is prepared through the ring-opening polymerization of aziridine from pore-expanded mesoporous silica. Adsorption experiments with a representative mixture of bio-oil model compounds are presented using each adsorbent at room temperature and 45 °C. The adsorbent comprising only primary amines adsorbs the largest amount of aldehydes and ketones. The overall reactivity of this adsorbent increases with increasing temperature. Additional aldehyde screening experiments show that the reactivity of aldehydes with aminosilicas varies depending on their chemical functionality. Initial attempts to regenerate an aminosilica adsorbent by acid hydrolysis show that they can be at least partially regenerated for further use.

  5. Accurate Evaluation of Quantum Integrals

    NASA Technical Reports Server (NTRS)

    Galant, D. C.; Goorvitch, D.; Witteborn, Fred C. (Technical Monitor)

    1995-01-01

    Combining an appropriate finite difference method with Richardson's extrapolation results in a simple, highly accurate numerical method for solving a Schrodinger's equation. Important results are that error estimates are provided, and that one can extrapolate expectation values rather than the wavefunctions to obtain highly accurate expectation values. We discuss the eigenvalues, the error growth in repeated Richardson's extrapolation, and show that the expectation values calculated on a crude mesh can be extrapolated to obtain expectation values of high accuracy.

  6. Numerical modeling of the simulated gas hydrate production test at Mallik 2L-38 in the pilot scale pressure reservoir LARS - Applying the "foamy oil" model

    NASA Astrophysics Data System (ADS)

    Abendroth, Sven; Thaler, Jan; Klump, Jens; Schicks, Judith; Uddin, Mafiz

    2014-05-01

    In the context of the German joint project SUGAR (Submarine Gas Hydrate Reservoirs: exploration, extraction and transport) we conducted a series of experiments in the LArge Reservoir Simulator (LARS) at the German Research Centre of Geosciences Potsdam. These experiments allow us to investigate the formation and dissociation of hydrates at large scale laboratory conditions. We performed an experiment similar to the field-test conditions of the production test in the Mallik gas hydrate field (Mallik 2L-38) in the Beaufort Mackenzie Delta of the Canadian Arctic. The aim of this experiment was to study the transport behavior of fluids in gas hydrate reservoirs during depressurization (see also Heeschen et al. and Priegnitz et al., this volume). The experimental results from LARS are used to provide details about processes inside the pressure vessel, to validate the models through history matching, and to feed back into the design of future experiments. In experiments in LARS the amount of methane produced from gas hydrates was much lower than expected. Previously published models predict a methane production rate higher than the one observed in experiments and field studies (Uddin et al. 2010; Wright et al. 2011). The authors of the aforementioned studies point out that the current modeling approach overestimates the gas production rate when modeling gas production by depressurization. They suggest that trapping of gas bubbles inside the porous medium is responsible for the reduced gas production rate. They point out that this behavior of multi-phase flow is not well explained by a "residual oil" model, but rather resembles a "foamy oil" model. Our study applies Uddin's (2010) "foamy oil" model and combines it with history matches of our experiments in LARS. Our results indicate a better agreement between experimental and model results when using the "foamy oil" model instead of conventional models of gas flow in water. References Uddin M., Wright J.F. and Coombe D

  7. Inhibition of lipase-catalyzed hydrolysis of emulsified triglyceride oils by low-molecular weight surfactants under simulated gastrointestinal conditions.

    PubMed

    Li, Yan; McClements, David Julian

    2011-10-01

    The effect of low-molecular weight surfactants on the digestibility of lipids in protein-stabilized corn oil-in-water emulsions was studied using an in vitro digestion model. The impact of non-ionic (Tween 20, Tween 80, Brij35), anionic (SDS), and cationic (DTAB) surfactants on the rate and extent of lipid digestion was studied. All surfactants were found to inhibit lipid digestion at sufficiently high concentrations, with half-maximal inhibitory concentrations (IC50) of 1.2% for Tween 20, 0.7% for Tween 80, 2.8% for Brij35, 1.1% for SDS, and 1.4% for DTAB. The effectiveness of the surfactants at inhibiting lipid digestion was therefore not strongly correlated to the electrical characteristics of the surfactant head group, since the IC50 increased in the following order: Tween 80>SDS>Tween 20>DTAB>Brij35. The ability of these low-molecular weight surfactants to inhibit lipid digestion was attributed to a number of potential mechanisms: (i) prevention of lipase/co-lipase adsorption to the oil-water interface; (ii) formation of interfacial complexes; (iii) direct interaction and inactivation of lipase/co-lipase. Interestingly, DTAB increased the rate and extent of lipid digestion when present at relatively low concentrations. This may have been because this cationic surfactant facilitated the adsorption of lipase to the droplet surfaces through electrostatic attraction, or it bound directly to the lipase molecule thereby changing its structure and activity. A number of the surfactants themselves were found to be susceptible to enzyme digestion by pancreatic enzymes in the absence of lipids: Tween 20, Tween 80, Brij35, and DTAB. This work has important implications for the development of emulsion-based delivery systems for food and pharmaceutical applications.

  8. Ozone photochemistry in an oil and natural gas extraction region during winter: simulations of a snow-free season in the Uintah Basin, Utah

    NASA Astrophysics Data System (ADS)

    Edwards, P. M.; Young, C. J.; Aikin, K.; deGouw, J.; Dubé, W. P.; Geiger, F.; Gilman, J.; Helmig, D.; Holloway, J. S.; Kercher, J.; Lerner, B.; Martin, R.; McLaren, R.; Parrish, D. D.; Peischl, J.; Roberts, J. M.; Ryerson, T. B.; Thornton, J.; Warneke, C.; Williams, E. J.; Brown, S. S.

    2013-09-01

    The Uintah Basin in northeastern Utah, a region of intense oil and gas extraction, experienced ozone (O3) concentrations above levels harmful to human health for multiple days during the winters of 2009-2010 and 2010-2011. These wintertime O3 pollution episodes occur during cold, stable periods when the ground is snow-covered, and have been linked to emissions from the oil and gas extraction process. The Uintah Basin Winter Ozone Study (UBWOS) was a field intensive in early 2012, whose goal was to address current uncertainties in the chemical and physical processes that drive wintertime O3 production in regions of oil and gas development. Although elevated O3 concentrations were not observed during the winter of 2011-2012, the comprehensive set of observations tests our understanding of O3 photochemistry in this unusual emissions environment. A box model, constrained to the observations and using the near-explicit Master Chemical Mechanism (MCM) v3.2 chemistry scheme, has been used to investigate the sensitivities of O3 production during UBWOS 2012. Simulations identify the O3 production photochemistry to be highly radical limited (with a radical production rate significantly smaller than the NOx emission rate). Production of OH from O3 photolysis (through reaction of O(1D) with water vapor) contributed only 170 pptv day-1, 8% of the total primary radical source on average (primary radicals being those produced from non-radical precursors). Other radical sources, including the photolysis of formaldehyde (HCHO, 52%), nitrous acid (HONO, 26%), and nitryl chloride (ClNO2, 13%) were larger. O3 production was also found to be highly sensitive to aromatic volatile organic compound (VOC) concentrations, due to radical amplification reactions in the oxidation scheme of these species. Radical production was shown to be small in comparison to the emissions of nitrogen oxides (NOx), such that NOx acted as the primary radical sink. Consequently, the system was highly VOC

  9. Novel methodology for accurate resolution of fluid signatures from multi-dimensional NMR well-logging measurements.

    PubMed

    Anand, Vivek

    2017-03-01

    A novel methodology for accurate fluid characterization from multi-dimensional nuclear magnetic resonance (NMR) well-logging measurements is introduced. This methodology overcomes a fundamental challenge of poor resolution of features in multi-dimensional NMR distributions due to low signal-to-noise ratio (SNR) of well-logging measurements. Based on an unsupervised machine-learning concept of blind source separation, the methodology resolves fluid responses from simultaneous analysis of large quantities of well-logging data. The multi-dimensional NMR distributions from a well log are arranged in a database matrix that is expressed as the product of two non-negative matrices. The first matrix contains the unique fluid signatures, and the second matrix contains the relative contributions of the signatures for each measurement sample. No a priori information or subjective assumptions about the underlying features in the data are required. Furthermore, the dimensionality of the data is reduced by several orders of magnitude, which greatly simplifies the visualization and interpretation of the fluid signatures. Compared to traditional methods of NMR fluid characterization which only use the information content of a single measurement, the new methodology uses the orders-of-magnitude higher information content of the entire well log. Simulations show that the methodology can resolve accurate fluid responses in challenging SNR conditions. The application of the methodology to well-logging data from a heavy oil reservoir shows that individual fluid signatures of heavy oil, water associated with clays and water in interstitial pores can be accurately obtained.

  10. Novel methodology for accurate resolution of fluid signatures from multi-dimensional NMR well-logging measurements

    NASA Astrophysics Data System (ADS)

    Anand, Vivek

    2017-03-01

    A novel methodology for accurate fluid characterization from multi-dimensional nuclear magnetic resonance (NMR) well-logging measurements is introduced. This methodology overcomes a fundamental challenge of poor resolution of features in multi-dimensional NMR distributions due to low signal-to-noise ratio (SNR) of well-logging measurements. Based on an unsupervised machine-learning concept of blind source separation, the methodology resolves fluid responses from simultaneous analysis of large quantities of well-logging data. The multi-dimensional NMR distributions from a well log are arranged in a database matrix that is expressed as the product of two non-negative matrices. The first matrix contains the unique fluid signatures, and the second matrix contains the relative contributions of the signatures for each measurement sample. No a priori information or subjective assumptions about the underlying features in the data are required. Furthermore, the dimensionality of the data is reduced by several orders of magnitude, which greatly simplifies the visualization and interpretation of the fluid signatures. Compared to traditional methods of NMR fluid characterization which only use the information content of a single measurement, the new methodology uses the orders-of-magnitude higher information content of the entire well log. Simulations show that the methodology can resolve accurate fluid responses in challenging SNR conditions. The application of the methodology to well-logging data from a heavy oil reservoir shows that individual fluid signatures of heavy oil, water associated with clays and water in interstitial pores can be accurately obtained.

  11. Investigation of the Dynamic Contact Angle Using a Direct Numerical Simulation Method.

    PubMed

    Zhu, Guangpu; Yao, Jun; Zhang, Lei; Sun, Hai; Li, Aifen; Shams, Bilal

    2016-11-15

    A large amount of residual oil, which exists as isolated oil slugs, remains trapped in reservoirs after water flooding. Numerous numerical studies are performed to investigate the fundamental flow mechanism of oil slugs to improve flooding efficiency. Dynamic contact angle models are usually introduced to simulate an accurate contact angle and meniscus displacement of oil slugs under a high capillary number. Nevertheless, in the oil slug flow simulation process, it is unnecessary to introduce the dynamic contact angle model because of a negligible change in the meniscus displacement after using the dynamic contact angle model when the capillary number is small. Therefore, a critical capillary number should be introduced to judge whether the dynamic contact model should be incorporated into simulations. In this study, a direct numerical simulation method is employed to simulate the oil slug flow in a capillary tube at the pore scale. The position of the interface between water and the oil slug is determined using the phase-field method. The capacity and accuracy of the model are validated using a classical benchmark: a dynamic capillary filling process. Then, different dynamic contact angle models and the factors that affect the dynamic contact angle are analyzed. The meniscus displacements of oil slugs with a dynamic contact angle and a static contact angle (SCA) are obtained during simulations, and the relative error between them is calculated automatically. The relative error limit has been defined to be 5%, beyond which the dynamic contact angle model needs to be incorporated into the simulation to approach the realistic displacement. Thus, the desired critical capillary number can be determined. A three-dimensional universal chart of critical capillary number, which functions as static contact angle and viscosity ratio, is given to provide a guideline for oil slug simulation. Also, a fitting formula is presented for ease of use.

  12. User’s Guide and History of ANFO (Ammonium Nitrate/Fuel Oil) as a Nuclear Weapons Effect Simulation Explosive

    DTIC Science & Technology

    1983-03-31

    continue the combustion process . This, afterburning leads to longer duration blast waves and higher impulses. Some thoughts again were given to the use...and use of ANFO as a nuclear weapons blast , cratering, and ground shock simulation source, is traced from 1966 to 1976 when the first full scale target...FACTORS 4 LIST OF ILLUSTRATIONS 9 LIST OF TABLES 15 .i Section 1 A HISTORY OF THE USE O0 ANFO FOR NUCLEAR WEAPONS BLAST AND SHOCK SIMULATION 17 1.1

  13. 2010 oil spill: trajectory projections based on ensemble drifter analyses

    NASA Astrophysics Data System (ADS)

    Chang, Yu-Lin; Oey, Leo; Xu, Fang-Hua; Lu, Hung-Fu; Fujisaki, Ayumi

    2011-06-01

    An accurate method for long-term (weeks to months) projections of oil spill trajectories based on multi-year ensemble analyses of simulated surface and subsurface ( z = -800 m) drifters released at the northern Gulf of Mexico spill site is demonstrated during the 2010 oil spill. The simulation compares well with satellite images of the actual oil spill which show that the surface spread of oil was mainly confined to the northern shelf and slope of the Gulf of Mexico, with some (more limited) spreading over the north/northeastern face of the Loop Current, as well as northwestward toward the Louisiana-Texas shelf. At subsurface, the ensemble projection shows drifters spreading south/southwestward, and this tendency agrees well with ADCP current measurements near the spill site during the months of May-July, which also show southward mean currents. An additional model analysis during the spill period (Apr-Jul/2010) confirms the above ensemble projection. The 2010 analysis confirms that the reason for the surface oil spread to be predominantly confined to the northern Gulf shelf and slope is because the 2010 wind was more southerly compared to climatology and also because a cyclone existed north of the Loop Current which moreover was positioned to the south of the spilled site.

  14. Approaching system equilibrium with accurate or not accurate feedback information in a two-route system

    NASA Astrophysics Data System (ADS)

    Zhao, Xiao-mei; Xie, Dong-fan; Li, Qi

    2015-02-01

    With the development of intelligent transport system, advanced information feedback strategies have been developed to reduce traffic congestion and enhance the capacity. However, previous strategies provide accurate information to travelers and our simulation results show that accurate information brings negative effects, especially in delay case. Because travelers prefer to the best condition route with accurate information, and delayed information cannot reflect current traffic condition but past. Then travelers make wrong routing decisions, causing the decrease of the capacity and the increase of oscillations and the system deviating from the equilibrium. To avoid the negative effect, bounded rationality is taken into account by introducing a boundedly rational threshold BR. When difference between two routes is less than the BR, routes have equal probability to be chosen. The bounded rationality is helpful to improve the efficiency in terms of capacity, oscillation and the gap deviating from the system equilibrium.

  15. Using Concepts in Literature-based Discovery: Simulating Swanson's Raynaud-Fish Oil and Migraine-Magnesium Discoveries.

    ERIC Educational Resources Information Center

    Weeber, Marc; Klein, Henny; de Jong-van den Berg, Lolkje T. W.; Vos, Rein

    2001-01-01

    Proposes a two-step model of discovery in which new scientific hypotheses can be generated and subsequently tested. Applying advanced natural language processing techniques to find biomedical concepts in text, the model is implemented in a versatile interactive discovery support tool. This tool is used to successfully simulate Don R. Swanson's…

  16. Simulation of the migration of mineral oil from recycled paperboard into dry foods by Tenax®?

    PubMed

    Zurfluh, Michael; Biedermann, Maurus; Grob, Koni

    2013-01-01

    Conventional migration testing for long-term storage at ambient temperature with Tenax® was applied to a recycled paperboard as well as to the same paperboard with a polyethylene or polypropylene film in between. Test conditions were from the European Union plastic Regulation 10/2011, that is, 10 days at 60°C, but previous standard conditions of 10 days at 40°C were also applied. The results were compared with the migration into real packs made of the same packaging material containing six test foods and stored over 9 months. For the direct contact, simulation at 60°C overestimated the maximum migration of the saturated hydrocarbons in the real packs by 73%. Simulation reflected hardly any effect by the plastic films and resulted in an overestimation of the maximum migration into the real packs by a factor of 5.1 and 27 for the polyethylene and the polypropylene film, respectively. Analogous simulation was performed with polenta (corn semolina) instead of Tenax®. Three main causes for this deviation were identified: (i) at 60°C, migration reached beyond n-C₃₅, whereas it ends at about n-C₂₄ in reality. (ii) Tenax® is a far stronger adsorbent than foods, resulting in almost complete extraction. (iii) The significant barrier effect of polypropylene films at ambient temperature is lost at increased temperature. The suitability of such simulation for the prediction of long-term migration is questioned.

  17. Carbonyl Emissions From Oil and Gas Production Facilities

    NASA Astrophysics Data System (ADS)

    Lyman, S. N.; O'Neil, T.; Tran, T.

    2015-12-01

    to accurately simulate inversion conditions or wintertime chemistry, thus leading to low ozone production in spite of an accurate inventory.

  18. 14 CFR 25.1551 - Oil quantity indication.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Oil quantity indication. 25.1551 Section 25... Placards § 25.1551 Oil quantity indication. Each oil quantity indicating means must be marked to indicate the quantity of oil readily and accurately....

  19. 14 CFR 23.1551 - Oil quantity indicator.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Oil quantity indicator. 23.1551 Section 23... Information Markings and Placards § 23.1551 Oil quantity indicator. Each oil quantity indicator must be marked in sufficient increments to indicate readily and accurately the quantity of oil....

  20. 25 CFR 226.38 - Measuring and storing oil.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 25 Indians 1 2014-04-01 2014-04-01 false Measuring and storing oil. 226.38 Section 226.38 Indians... LANDS FOR OIL AND GAS MINING Requirements of Lessees § 226.38 Measuring and storing oil. All production.... Facilities suitable for containing and measuring accurately all crude oil produced from the wells shall...

  1. 25 CFR 226.38 - Measuring and storing oil.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 25 Indians 1 2012-04-01 2011-04-01 true Measuring and storing oil. 226.38 Section 226.38 Indians... LANDS FOR OIL AND GAS MINING Requirements of Lessees § 226.38 Measuring and storing oil. All production.... Facilities suitable for containing and measuring accurately all crude oil produced from the wells shall...

  2. 25 CFR 226.38 - Measuring and storing oil.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 25 Indians 1 2010-04-01 2010-04-01 false Measuring and storing oil. 226.38 Section 226.38 Indians... LANDS FOR OIL AND GAS MINING Requirements of Lessees § 226.38 Measuring and storing oil. All production.... Facilities suitable for containing and measuring accurately all crude oil produced from the wells shall...

  3. 25 CFR 226.38 - Measuring and storing oil.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 25 Indians 1 2013-04-01 2013-04-01 false Measuring and storing oil. 226.38 Section 226.38 Indians... LANDS FOR OIL AND GAS MINING Requirements of Lessees § 226.38 Measuring and storing oil. All production.... Facilities suitable for containing and measuring accurately all crude oil produced from the wells shall...

  4. 14 CFR 27.1551 - Oil quantity indicator.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Oil quantity indicator. 27.1551 Section 27... § 27.1551 Oil quantity indicator. Each oil quantity indicator must be marked with enough increments to indicate readily and accurately the quantity of oil....

  5. 14 CFR 25.1551 - Oil quantity indication.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Oil quantity indication. 25.1551 Section 25... Placards § 25.1551 Oil quantity indication. Each oil quantity indicating means must be marked to indicate the quantity of oil readily and accurately....

  6. 14 CFR 29.1551 - Oil quantity indicator.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Oil quantity indicator. 29.1551 Section 29... Placards § 29.1551 Oil quantity indicator. Each oil quantity indicator must be marked with enough increments to indicate readily and accurately the quantity of oil....

  7. 25 CFR 226.38 - Measuring and storing oil.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 25 Indians 1 2011-04-01 2011-04-01 false Measuring and storing oil. 226.38 Section 226.38 Indians... LANDS FOR OIL AND GAS MINING Requirements of Lessees § 226.38 Measuring and storing oil. All production.... Facilities suitable for containing and measuring accurately all crude oil produced from the wells shall...

  8. 14 CFR 27.1551 - Oil quantity indicator.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Oil quantity indicator. 27.1551 Section 27... § 27.1551 Oil quantity indicator. Each oil quantity indicator must be marked with enough increments to indicate readily and accurately the quantity of oil....

  9. 14 CFR 25.1551 - Oil quantity indication.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Oil quantity indication. 25.1551 Section 25... Placards § 25.1551 Oil quantity indication. Each oil quantity indicating means must be marked to indicate the quantity of oil readily and accurately....

  10. 14 CFR 23.1551 - Oil quantity indicator.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Oil quantity indicator. 23.1551 Section 23... Information Markings and Placards § 23.1551 Oil quantity indicator. Each oil quantity indicator must be marked in sufficient increments to indicate readily and accurately the quantity of oil....

  11. 14 CFR 29.1551 - Oil quantity indicator.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Oil quantity indicator. 29.1551 Section 29... Placards § 29.1551 Oil quantity indicator. Each oil quantity indicator must be marked with enough increments to indicate readily and accurately the quantity of oil....

  12. 14 CFR 23.1551 - Oil quantity indicator.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Oil quantity indicator. 23.1551 Section 23... Information Markings and Placards § 23.1551 Oil quantity indicator. Each oil quantity indicator must be marked in sufficient increments to indicate readily and accurately the quantity of oil....

  13. 14 CFR 25.1551 - Oil quantity indication.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Oil quantity indication. 25.1551 Section 25... Placards § 25.1551 Oil quantity indication. Each oil quantity indicating means must be marked to indicate the quantity of oil readily and accurately....

  14. Oil Spills

    MedlinePlus

    Oil spills often happen because of accidents, when people make mistakes or equipment breaks down. Other causes include natural disasters or deliberate acts. Oil spills have major environmental and economic effects. Oil spills ...

  15. Oil Spills

    MedlinePlus

    ... the Deepwater Horizon/BP oil spill in 2010. (NOAA) Oil Spills During an oil spill in coastal ... Shoreline Assessment Manual , and the FOSC 's Guide to NOAA Scientific Support . Response Tools To better prepare response ...

  16. Dynamics of corrosion rates associated with nitrite or nitrate mediated control of souring under biological conditions simulating an oil reservoir.

    PubMed

    Rempel, C L; Evitts, R W; Nemati, M

    2006-10-01

    Representative microbial cultures from an oil reservoir and electrochemical techniques including potentiodynamic scan and linear polarization were used to investigate the time dependent corrosion rate associated with control of biogenic sulphide production through addition of nitrite, nitrate and a combination of nitrate-reducing, sulphide-oxidizing bacteria (NR-SOB) and nitrate. The addition of nitrate alone did not prevent the biogenic production of sulphide but the produced sulphide was eventually oxidized and removed from the system. The addition of nitrate and NR-SOB had a similar effect on oxidation and removal of sulphide present in the system. However, as the addition of nitrate and NR-SOB was performed towards the end of sulphide production phase, the assessment of immediate impact was not possible. The addition of nitrite inhibited the biogenic production of sulphide immediately and led to removal of sulphide through nitrite mediated chemical oxidation of sulphide. The real time corrosion rate measurement revealed that in all three cases an acceleration in the corrosion rate occurred during the oxidation and removal of sulphide. Amendments of nitrate and NR-SOB or nitrate alone both gave rise to localized corrosion in the form of pits, with the maximum observed corrosion rates of 0.72 and 1.4 mm year(-1), respectively. The addition of nitrite also accelerated the corrosion rate but the maximum corrosion rate observed following nitrite addition was 0.3 mm year(-1). Furthermore, in the presence of nitrite the extent of pitting was not as high as those observed with other control methods.

  17. 78 FR 43959 - In the Matter of American Technologies Group, Inc., Bonanza Oil & Gas, Inc., and Gulf Coast Oil...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-07-22

    ... COMMISSION In the Matter of American Technologies Group, Inc., Bonanza Oil & Gas, Inc., and Gulf Coast Oil... information concerning the securities of Bonanza Oil & Gas, Inc. because it has not filed any periodic reports... a lack of current and accurate information concerning the securities of Gulf Coast Oil & Gas,...

  18. Improving a prediction system for oil spills in the Yellow Sea: effect of tides on subtidal flow.

    PubMed

    Kim, Chang-Sin; Cho, Yang-Ki; Choi, Byoung-Ju; Jung, Kyung Tae; You, Sung Hyup

    2013-03-15

    A multi-nested prediction system for the Yellow Sea using drifter trajectory simulations was developed to predict the movements of an oil spill after the MV Hebei Spirit accident. The speeds of the oil spill trajectories predicted by the model without tidal forcing were substantially faster than the observations; however, predictions taking into account the tides, including both tidal cycle and subtidal periods, were satisfactorily improved. Subtidal flow in the simulation without tides was stronger than in that with tides because of reduced frictional effects. Friction induced by tidal stress decelerated the southward subtidal flows driven by northwesterly winter winds along the Korean coast of the Yellow Sea. These results strongly suggest that in order to produce accurate predictions of oil spill trajectories, simulations must include tidal effects, such as variations within a tidal cycle and advections over longer time scales in tide-dominated areas.

  19. Calculating the binding free energies of charged species based on explicit-solvent simulations employing lattice-sum methods: An accurate correction scheme for electrostatic finite-size effects

    SciTech Connect

    Rocklin, Gabriel J.; Mobley, David L.; Dill, Ken A.; Hünenberger, Philippe H.

    2013-11-14

    The calculation of a protein-ligand binding free energy based on molecular dynamics (MD) simulations generally relies on a thermodynamic cycle in which the ligand is alchemically inserted into the system, both in the solvated protein and free in solution. The corresponding ligand-insertion free energies are typically calculated in nanoscale computational boxes simulated under periodic boundary conditions and considering electrostatic interactions defined by a periodic lattice-sum. This is distinct from the ideal bulk situation of a system of macroscopic size simulated under non-periodic boundary conditions with Coulombic electrostatic interactions. This discrepancy results in finite-size effects, which affect primarily the charging component of the insertion free energy, are dependent on the box size, and can be large when the ligand bears a net charge, especially if the protein is charged as well. This article investigates finite-size effects on calculated charging free energies using as a test case the binding of the ligand 2-amino-5-methylthiazole (net charge +1 e) to a mutant form of yeast cytochrome c peroxidase in water. Considering different charge isoforms of the protein (net charges −5, 0, +3, or +9 e), either in the absence or the presence of neutralizing counter-ions, and sizes of the cubic computational box (edges ranging from 7.42 to 11.02 nm), the potentially large magnitude of finite-size effects on the raw charging free energies (up to 17.1 kJ mol{sup −1}) is demonstrated. Two correction schemes are then proposed to eliminate these effects, a numerical and an analytical one. Both schemes are based on a continuum-electrostatics analysis and require performing Poisson-Boltzmann (PB) calculations on the protein-ligand system. While the numerical scheme requires PB calculations under both non-periodic and periodic boundary conditions, the latter at the box size considered in the MD simulations, the analytical scheme only requires three non

  20. Calculating the binding free energies of charged species based on explicit-solvent simulations employing lattice-sum methods: An accurate correction scheme for electrostatic finite-size effects

    PubMed Central

    Rocklin, Gabriel J.; Mobley, David L.; Dill, Ken A.; Hünenberger, Philippe H.

    2013-01-01

    The calculation of a protein-ligand binding free energy based on molecular dynamics (MD) simulations generally relies on a thermodynamic cycle in which the ligand is alchemically inserted into the system, both in the solvated protein and free in solution. The corresponding ligand-insertion free energies are typically calculated in nanoscale computational boxes simulated under periodic boundary conditions and considering electrostatic interactions defined by a periodic lattice-sum. This is distinct from the ideal bulk situation of a system of macroscopic size simulated under non-periodic boundary conditions with Coulombic electrostatic interactions. This discrepancy results in finite-size effects, which affect primarily the charging component of the insertion free energy, are dependent on the box size, and can be large when the ligand bears a net charge, especially if the protein is charged as well. This article investigates finite-size effects on calculated charging free energies using as a test case the binding of the ligand 2-amino-5-methylthiazole (net charge +1 e) to a mutant form of yeast cytochrome c peroxidase in water. Considering different charge isoforms of the protein (net charges −5, 0, +3, or +9 e), either in the absence or the presence of neutralizing counter-ions, and sizes of the cubic computational box (edges ranging from 7.42 to 11.02 nm), the potentially large magnitude of finite-size effects on the raw charging free energies (up to 17.1 kJ mol−1) is demonstrated. Two correction schemes are then proposed to eliminate these effects, a numerical and an analytical one. Both schemes are based on a continuum-electrostatics analysis and require performing Poisson-Boltzmann (PB) calculations on the protein-ligand system. While the numerical scheme requires PB calculations under both non-periodic and periodic boundary conditions, the latter at the box size considered in the MD simulations, the analytical scheme only requires three non-periodic PB

  1. Short communication: malic acid does not promote vaccenic acid accumulation in mixed ruminal fluid with fractionated fish oil by a rumen-simulation technique.

    PubMed

    Liu, L; Wang, J Q; Bu, D P; Liu, S J; Liang, S; Wei, H Y; Zhou, L Y; Liu, K L

    2008-10-01

    The objective of this study was to determine whether malic acid could promote the accumulation of vaccenic acid in the rumen. The control diet was composed of a 65:35 ratio of forage to concentrate with 1% (dry matter basis) added fractionated fish oil (rich in docosahexaenoic acid), and treatment diets consisted of the control diet with added malic acid to achieve final concentrations of 10 mM (treatment 1) and 20 mM (treatment 2), respectively. The experiment was conducted with rumen-simulation equipment (Rusitec) consisting of 9 fermenters. Each treatment included 3 fermenters as replicates. After 7 d of incubation, concentrations of vaccenic acid from treatment 1 (4.38% fatty acids) and treatment 2 (4.46% fatty acids) were similar to that of the control treatment (4.51% fatty acids). The disappearance of docosahexaenoic acid was not different among the control, treatment 1, or treatment 2. These data indicated that malic acid did not promote the accumulation of vaccenic acid in ruminal fluid.

  2. Predicting hydration Gibbs energies of alkyl-aromatics using molecular simulation: a comparison of current force fields and the development of a new parameter set for accurate solvation data.

    PubMed

    Garrido, Nuno M; Jorge, Miguel; Queimada, António J; Gomes, José R B; Economou, Ioannis G; Macedo, Eugénia A

    2011-10-14

    The Gibbs energy of hydration is an important quantity to understand the molecular behavior in aqueous systems at constant temperature and pressure. In this work we review the performance of some popular force fields, namely TraPPE, OPLS-AA and Gromos, in reproducing the experimental Gibbs energies of hydration of several alkyl-aromatic compounds--benzene, mono-, di- and tri-substituted alkylbenzenes--using molecular simulation techniques. In the second part of the paper, we report a new model that is able to improve such hydration energy predictions, based on Lennard Jones parameters from the recent TraPPE-EH force field and atomic partial charges obtained from natural population analysis of density functional theory calculations. We apply a scaling factor determined by fitting the experimental hydration energy of only two solutes, and then present a simple rule to generate atomic partial charges for different substituted alkyl-aromatics. This rule has the added advantages of eliminating the unnecessary assumption of fixed charge on every substituted carbon atom and providing a simple guideline for extrapolating the charge assignment to any multi-substituted alkyl-aromatic molecule. The point charges derived here yield excellent predictions of experimental Gibbs energies of hydration, with an overall absolute average deviation of less than 0.6 kJ mol(-1). This new parameter set can also give good predictive performance for other thermodynamic properties and liquid structural information.

  3. Analysis of oil consumption in cylinder of diesel engine for optimization of piston rings

    NASA Astrophysics Data System (ADS)

    Zhang, Junhong; Zhang, Guichang; He, Zhenpeng; Lin, Jiewei; Liu, Hai

    2013-01-01

    The performance and particulate emission of a diesel engine are affected by the consumption of lubricating oil. Most studies on oil consumption mechanism of the cylinder have been done by using the experimental method, however they are very costly. Therefore, it is very necessary to study oil consumption mechanism of the cylinder and obtain the accurate results by the calculation method. Firstly, four main modes of lubricating oil consumption in cylinder are analyzed and then the oil consumption rate under common working conditions are calculated for the four modes based on an engine. Then, the factors that affect the lubricating oil consumption such as working conditions, the second ring closed gap, the elastic force of the piston rings are also investigated for the four modes. The calculation results show that most of the lubricating oil is consumed by evaporation on the liner surface. Besides, there are three other findings: (1) The oil evaporation from the liner is determined by the working condition of an engine; (2) The increase of the ring closed gap reduces the oil blow through the top ring end gap but increases blow-by; (3) With the increase of the elastic force of the ring, both the left oil film thickness and the oil throw-off at the top ring decrease. The oil scraping of the piston top edge is consequently reduced while the friction loss between the rings and the liner increases. A neural network prediction model of the lubricating oil consumption in cylinder is established based on the BP neural network theory, and then the model is trained and validated. The main piston rings parameters which affect the oil consumption are optimized by using the BP neural network prediction model and the prediction accuracy of this BP neural network is within 8%, which is acceptable for normal engineering applications. The oil consumption is also measured experimentally. The relative errors of the calculated and experimental values are less than 10%, verifying the

  4. Phase Behavior, Solid Organic Precipitation, and Mobility Characterization Studies in Support of Enhanced Heavy Oil Recovery on the Alaska North Slope

    SciTech Connect

    Shirish Patil; Abhijit Dandekar; Santanu Khataniar

    2008-12-31

    The medium-heavy oil (viscous oil) resources in the Alaska North Slope are estimated at 20 to 25 billion barrels. These oils are viscous, flow sluggishly in the formations, and are difficult to recover. Recovery of this viscous oil requires carefully designed enhanced oil recovery processes. Success of these recovery processes is critically dependent on accurate knowledge of the phase behavior and fluid properties, especially viscosity, of these oils under variety of pressure and temperature conditions. This project focused on predicting phase behavior and viscosity of viscous oils using equations of state and semi-empirical correlations. An experimental study was conducted to quantify the phase behavior and physical properties of viscous oils from the Alaska North Slope oil field. The oil samples were compositionally characterized by the simulated distillation technique. Constant composition expansion and differential liberation tests were conducted on viscous oil samples. Experiment results for phase behavior and reservoir fluid properties were used to tune the Peng-Robinson equation of state and predict the phase behavior accurately. A comprehensive literature search was carried out to compile available compositional viscosity models and their modifications, for application to heavy or viscous oils. With the help of meticulously amassed new medium-heavy oil viscosity data from experiments, a comparative study was conducted to evaluate the potential of various models. The widely used corresponding state viscosity model predictions deteriorate when applied to heavy oil systems. Hence, a semi-empirical approach (the Lindeloff model) was adopted for modeling the viscosity behavior. Based on the analysis, appropriate adjustments have been suggested: the major one is the division of the pressure-viscosity profile into three distinct regions. New modifications have improved the overall fit, including the saturated viscosities at low pressures. However, with the limited

  5. A detection method of vegetable oils in edible blended oil based on three-dimensional fluorescence spectroscopy technique.

    PubMed

    Xu, Jing; Liu, Xiao-Fei; Wang, Yu-Tian

    2016-12-01

    Edible blended vegetable oils are made from two or more refined oils. Blended oils can provide a wider range of essential fatty acids than single vegetable oils, which helps support good nutrition. Nutritional components in blended oils are related to the type and content of vegetable oils used, and a new, more accurate, method is proposed to identify and quantify the vegetable oils present using cluster analysis and a Quasi-Monte Carlo integral. Three-dimensional fluorescence spectra were obtained at 250-400nm (excitation) and 260-750nm (emission). Mixtures of sunflower, soybean and peanut oils were used as typical examples to validate the effectiveness of the method.

  6. Practical aspects of spatially high accurate methods

    NASA Technical Reports Server (NTRS)

    Godfrey, Andrew G.; Mitchell, Curtis R.; Walters, Robert W.

    1992-01-01

    The computational qualities of high order spatially accurate methods for the finite volume solution of the Euler equations are presented. Two dimensional essentially non-oscillatory (ENO), k-exact, and 'dimension by dimension' ENO reconstruction operators are discussed and compared in terms of reconstruction and solution accuracy, computational cost and oscillatory behavior in supersonic flows with shocks. Inherent steady state convergence difficulties are demonstrated for adaptive stencil algorithms. An exact solution to the heat equation is used to determine reconstruction error, and the computational intensity is reflected in operation counts. Standard MUSCL differencing is included for comparison. Numerical experiments presented include the Ringleb flow for numerical accuracy and a shock reflection problem. A vortex-shock interaction demonstrates the ability of the ENO scheme to excel in simulating unsteady high-frequency flow physics.

  7. All About Oils

    MedlinePlus

    ... corn oil, cottonseed oil, olive oil, safflower oil, soybean oil, and sunflower oil. Some oils are used ... such as canola, corn, cottonseed, olive, peanut, safflower, soybean, and sunflower) 1 Tbsp 3 tsp/14 g ...

  8. On numerically accurate finite element

    NASA Technical Reports Server (NTRS)

    Nagtegaal, J. C.; Parks, D. M.; Rice, J. R.

    1974-01-01

    A general criterion for testing a mesh with topologically similar repeat units is given, and the analysis shows that only a few conventional element types and arrangements are, or can be made suitable for computations in the fully plastic range. Further, a new variational principle, which can easily and simply be incorporated into an existing finite element program, is presented. This allows accurate computations to be made even for element designs that would not normally be suitable. Numerical results are given for three plane strain problems, namely pure bending of a beam, a thick-walled tube under pressure, and a deep double edge cracked tensile specimen. The effects of various element designs and of the new variational procedure are illustrated. Elastic-plastic computation at finite strain are discussed.

  9. Improved Criteria for Increasing CO2 Storage Potential with CO2 Enhanced Oil Recovery

    NASA Astrophysics Data System (ADS)

    Bauman, J.; Pawar, R.

    2013-12-01

    In recent years it has been found that deployment of CO2 capture and storage technology at large scales will be difficult without significant incentives. One of the technologies that has been a focus in recent years is CO2 enhanced oil/gas recovery, where additional hydrocarbon recovery provides an economic incentive for deployment. The way CO2 EOR is currently deployed, maximization of additional oil production does not necessarily lead to maximization of stored CO2, though significant amounts of CO2 are stored regardless of the objective. To determine the potential of large-scale CO2 storage through CO2 EOR, it is necessary to determine the feasibility of deploying this technology over a wide range of oil/gas field characteristics. In addition it is also necessary to accurately estimate the ultimate CO2 storage potential and develop approaches that optimize oil recovery along with long-term CO2 storage. This study uses compositional reservoir simulations to further develop technical screening criteria that not only improve oil recovery, but maximize CO2 storage during enhanced oil recovery operations. Minimum miscibility pressure, maximum oil/ CO2 contact without the need of significant waterflooding, and CO2 breakthrough prevention are a few key parameters specific to the technical aspects of CO2 enhanced oil recovery that maximize CO2 storage. We have developed reduced order models based on simulation results to determine the ultimate oil recovery and CO2 storage potential in these formations. Our goal is to develop and demonstrate a methodology that can be used to determine feasibility and long-term CO2 storage potential of CO2 EOR technology.

  10. Quantitative analysis of multi-component complex oil spills based on the least-squares support vector regression

    NASA Astrophysics Data System (ADS)

    Tan, Ailing; Zhao, Yong; Wang, Siyuan

    2016-10-01

    Quantitative analysis of the simulated complex oil spills was researched based on PSO-LS-SVR method. Forty simulated mixture oil spills samples were made with different concentration proportions of gasoline, diesel and kerosene oil, and their near infrared spectra were collected. The parameters of least squares support vector machine were optimized by particle swarm optimization algorithm. The optimal concentration quantitative models of three-component oil spills were established. The best regularization parameter C and kernel parameter σ of gasoline, diesel and kerosene model were 48.1418 and 0.1067, 53.2820 and 0.1095, 59.1689 and 0.1000 respectively. The decision coefficient R2 of the prediction model were 0.9983, 0.9907 and 0.9942 respectively. RMSEP values were 0.0753, 0.1539 and 0.0789 respectively. For gasoline, diesel fuel and kerosene oil models, the mean value and variance value of predict absolute error were -0.0176±0.0636 μL/mL, -0.0084+/-0.1941 μL/mL, and 0.00338+/-0.0726 μL/mL respectively. The results showed that each component's concentration of the oil spills samples could be detected by the NIR technology combined with PSO-LS-SVR regression method, the predict results were accurate and reliable, thus this method can provide effective means for the quantitative detection and analysis of complex marine oil spills.

  11. Modeling and laboratory investigations of microbial oil recovery mechanisms in porous media

    SciTech Connect

    Chang, M.M.; Bryant, R.S.; Stepp, A.K.; Bertus, K.M.

    1992-12-01

    Simulation and experimental results on the transport of microbes and nutrients in one-dimensional cores are presented, and the development of a three-dimensional, three-phase, multiple-component numerical model to describe the microbial transport and oil recovery in porous media is described. The change of rock`s wettability and associated relative permeability values after microbial treatments were accounted for in the model for additional oil recovery. Porosity and permeability reductions due to cell clogging have been considered and the production of gas by microbial metabolism has been incorporated. Governing equations for microbial and nutrient transport are coupled with continuity and flow equations under conditions appropriate for a black oil reservoir. The computer simulator has been used to determine the effects of various transport parameters on microbial transport phenomena. The model can accurately describe the observed transport of microbes, nutrients, and metabolites in coreflooding experiments. Input parameters are determined by matching laboratory experimental results. The model can be used to predict the propagation of microbes and nutrients in a model reservoir and to optimize injection strategies. Optimization of injection strategy results in increased oil recovery due to improvements in sweep efficiency. Field-scale numerical simulation studies using data from relative permeability experiments indicated that microbial treatment could improve oil recovery over waterflooding alone. This report addresses the work conducted under project BE3 of the FY92 annual plan.

  12. Modeling and laboratory investigations of microbial oil recovery mechanisms in porous media

    SciTech Connect

    Chang, M.M.; Bryant, R.S.; Stepp, A.K.; Bertus, K.M.

    1992-12-01

    Simulation and experimental results on the transport of microbes and nutrients in one-dimensional cores are presented, and the development of a three-dimensional, three-phase, multiple-component numerical model to describe the microbial transport and oil recovery in porous media is described. The change of rock's wettability and associated relative permeability values after microbial treatments were accounted for in the model for additional oil recovery. Porosity and permeability reductions due to cell clogging have been considered and the production of gas by microbial metabolism has been incorporated. Governing equations for microbial and nutrient transport are coupled with continuity and flow equations under conditions appropriate for a black oil reservoir. The computer simulator has been used to determine the effects of various transport parameters on microbial transport phenomena. The model can accurately describe the observed transport of microbes, nutrients, and metabolites in coreflooding experiments. Input parameters are determined by matching laboratory experimental results. The model can be used to predict the propagation of microbes and nutrients in a model reservoir and to optimize injection strategies. Optimization of injection strategy results in increased oil recovery due to improvements in sweep efficiency. Field-scale numerical simulation studies using data from relative permeability experiments indicated that microbial treatment could improve oil recovery over waterflooding alone. This report addresses the work conducted under project BE3 of the FY92 annual plan.

  13. Accurate ab Initio Spin Densities.

    PubMed

    Boguslawski, Katharina; Marti, Konrad H; Legeza, Ors; Reiher, Markus

    2012-06-12

    We present an approach for the calculation of spin density distributions for molecules that require very large active spaces for a qualitatively correct description of their electronic structure. Our approach is based on the density-matrix renormalization group (DMRG) algorithm to calculate the spin density matrix elements as a basic quantity for the spatially resolved spin density distribution. The spin density matrix elements are directly determined from the second-quantized elementary operators optimized by the DMRG algorithm. As an analytic convergence criterion for the spin density distribution, we employ our recently developed sampling-reconstruction scheme [J. Chem. Phys.2011, 134, 224101] to build an accurate complete-active-space configuration-interaction (CASCI) wave function from the optimized matrix product states. The spin density matrix elements can then also be determined as an expectation value employing the reconstructed wave function expansion. Furthermore, the explicit reconstruction of a CASCI-type wave function provides insight into chemically interesting features of the molecule under study such as the distribution of α and β electrons in terms of Slater determinants, CI coefficients, and natural orbitals. The methodology is applied to an iron nitrosyl complex which we have identified as a challenging system for standard approaches [J. Chem. Theory Comput.2011, 7, 2740].

  14. Modeling and simulation of steady state model approach for horizontal three phase separator (HTPS)

    NASA Astrophysics Data System (ADS)

    Triwibowo, Bayu; Prasetiawan, Haniif; Hisyam, Anwaruddin; Fauzan, Mohammad Fariz; Rizky, Muhammad Habib Fahd

    2017-03-01

    Main function of oil production facility is to separate oil well stream into three phases i.e. oil, gas and water. A vessel called three phase separator is used for this purpose, commonly in horizontal arrangement. In order to optimize the process, an accurate model for horizontal three phase separator (HTPS) is needed. Computational Fluid Dynamics (CFD) is a mathematical tool capable of simulating a wide range of fluid flows. HTPS dimensions used in this simulation were taken from one of oil and gas company in Indonesia. The CFD simulation used in this study is based on volume of fluid and k-ɛ turbulence models. Gas outlet was assumed using porous media zone model with fluid porosity 0.99. Simulation result displayed concentration and velocity distribution for each component inside HTPS. The result of concentration distribution shows that the region of fluid divided into upper region and lower region. The lower region major component were water and upper region mainly consist of gas and oil. The contour of concentration distribution indicated a good separation process with distribution of water flow rate at the outlet of water, oil, and gas respectively are 405,67; 115,65; and 172.01 lb/min

  15. MODELING DISPERSANT INTERACTIONS WITH OIL SPILLS

    EPA Science Inventory

    EPA is developing a model called the EPA Research Object-Oriented Oil Spill Model (ERO3S) and associated databases to simulate the impacts of dispersants on oil slicks. Because there are features of oil slicks that align naturally with major concepts of object-oriented programmi...

  16. The influence of droplet size and biodegradation on the transport of subsurface oil droplets during the Deepwater Horizon spill: a model sensitivity study

    NASA Astrophysics Data System (ADS)

    North, Elizabeth W.; Adams, E. Eric; Thessen, Anne E.; Schlag, Zachary; He, Ruoying; Socolofsky, Scott A.; Masutani, Stephen M.; Peckham, Scott D.

    2015-02-01

    A better understanding of oil droplet formation, degradation, and dispersal in deep waters is needed to enhance prediction of the fate and transport of subsurface oil spills. This research evaluates the influence of initial droplet size and rates of biodegradation on the subsurface transport of oil droplets, specifically those from the Deepwater Horizon oil spill. A three-dimensional coupled model was employed with components that included analytical multiphase plume, hydrodynamic and Lagrangian models. Oil droplet biodegradation was simulated based on first order decay rates of alkanes. The initial diameter of droplets (10-300 μm) spanned a range of sizes expected from dispersant-treated oil. Results indicate that model predictions are sensitive to biodegradation processes, with depth distributions deepening by hundreds of meters, horizontal distributions decreasing by hundreds to thousands of kilometers, and mass decreasing by 92-99% when biodegradation is applied compared to simulations without biodegradation. In addition, there are two- to four-fold changes in the area of the seafloor contacted by oil droplets among scenarios with different biodegradation rates. The spatial distributions of hydrocarbons predicted by the model with biodegradation are similar to those observed in the sediment and water column, although the model predicts hydrocarbons to the northeast and east of the well where no observations were made. This study indicates that improvement in knowledge of droplet sizes and biodegradation processes is important for accurate prediction of subsurface oil spills.

  17. Online monitoring of oil film using electrical capacitance tomography and level set method

    SciTech Connect

    Xue, Q. Ma, M.; Sun, B. Y.; Cui, Z. Q.; Wang, H. X.

    2015-08-15

    In the application of oil-air lubrication system, electrical capacitance tomography (ECT) provides a promising way for monitoring oil film in the pipelines by reconstructing cross sectional oil distributions in real time. While in the case of small diameter pipe and thin oil film, the thickness of the oil film is hard to be observed visually since the interface of oil and air is not obvious in the reconstructed images. And the existence of artifacts in the reconstructions has seriously influenced the effectiveness of image segmentation techniques such as level set method. Besides, level set method is also unavailable for online monitoring due to its low computation speed. To address these problems, a modified level set method is developed: a distance regularized level set evolution formulation is extended to image two-phase flow online using an ECT system, a narrowband image filter is defined to eliminate the influence of artifacts, and considering the continuity of the oil distribution variation, the detected oil-air interface of a former image can be used as the initial contour for the detection of the subsequent frame; thus, the propagation from the initial contour to the boundary can be greatly accelerated, making it possible for real time tracking. To testify the feasibility of the proposed method, an oil-air lubrication facility with 4 mm inner diameter pipe is measured in normal operation using an 8-electrode ECT system. Both simulation and experiment results indicate that the modified level set method is capable of visualizing the oil-air interface accurately online.

  18. New method of simulation to evaluate the sensitivity to oxidation of lubricating oils: an aging cell coupled with fourier transform infrared spectroscopy.

    PubMed

    Priéri, F; Gresser, E; Le Dréau, Y; Obiols, J; Kister, J

    2008-07-01

    This study presents a new method for evaluating the oxidation of lubricating oils. An aging cell adapted to a Fourier transform infrared (FT-IR) spectrometer allows the continuous and direct study of the oxidative aging of base oils. During the test, oxidation bands appeared in the spectra (carbonyl bands around 1730 cm(-1)). The graphic representation of the carbonyl band modification--using a spectroscopic index--makes it possible to monitor the evolution of the lubricant composition. Comparing the oxidation constants, determined from the kinetic plots of several base oils, makes it possible to evaluate their relative sensitivity.

  19. Fluorescence characteristics of oil during the Deepwater Horizon oil spill

    NASA Astrophysics Data System (ADS)

    Coble, P. G.; Conmy, R. N.; Wood, M.; Lee, K.; Kepkay, P.; Li, Z.

    2010-12-01

    Emergency responders, agencies and researchers have tracked oil spilled during the Deepwater Horizon event using a number of techniques, including fluorescence, particle size and chemical analyses. Even though current protocols call for the use of in situ fluorometers to detect the presence of oil throughout the water column, these fluorometers have not been designed to yield information on changes in oil optical properties as it weathers and is chemically and/or physically dispersed. Multi-wavelength (Excitation Emission Matrix or multiple fixed wavelength) fluorometers and particle size analyzers are required to accurately monitor these changing properties in situ and in samples containing the oil suspended as droplets in seawater. Findings reported by the Unified Command Joint Analysis Group on fluorescence, particle size (by LISST) and chemical analysis data will be used to delineate changing oil properties and the results obtained from laboratory experiments using suspensions of Deepwater Horizon source oil will be compared to the environmental data (including information collected via ROV at the well head). The Deepwater Horizon spill was unprecedented in terms of magnitude, depth of the spill and subsurface dispersant application. The work presented here will improve current protocols by highlighting the critical fluorescence wavelengths needed to accurately track oil through marine systems.

  20. Coconut Oil

    MedlinePlus

    ... oil comes from the nut (fruit) of the coconut palm. The oil of the nut is used to ... Gras de Noix de Coco, Coconut Fatty Acid, Coconut Palm, Coco Palm, Coconut, Cocos nucifera, Cocotier, Cold Pressed ...

  1. SYNTHETIC OIL,

    DTIC Science & Technology

    The patent concerns a dicarboxylate-base synthetic oil with antiwear and antioxidation additives. The oil is prepared from the esterification of 2- or 3-methylcyclohexanol and 2-ethylhexanol with adipic acid. (Author)

  2. Petroleum Oils

    EPA Pesticide Factsheets

    Different types of crude oil and refined product, of all different chemical compositions, have distinct physical properties. These properties affect the way oil spreads and breaks down, its hazard to marine and human life, and the likelihood of threat.

  3. Material point method modeling in oil and gas reservoirs

    DOEpatents

    Vanderheyden, William Brian; Zhang, Duan

    2016-06-28

    A computer system and method of simulating the behavior of an oil and gas reservoir including changes in the margins of frangible solids. A system of equations including state equations such as momentum, and conservation laws such as mass conservation and volume fraction continuity, are defined and discretized for at least two phases in a modeled volume, one of which corresponds to frangible material. A material point model technique for numerically solving the system of discretized equations, to derive fluid flow at each of a plurality of mesh nodes in the modeled volume, and the velocity of at each of a plurality of particles representing the frangible material in the modeled volume. A time-splitting technique improves the computational efficiency of the simulation while maintaining accuracy on the deformation scale. The method can be applied to derive accurate upscaled model equations for larger volume scale simulations.

  4. Mineral oils

    NASA Technical Reports Server (NTRS)

    Furby, N. W.

    1973-01-01

    The characteristics of lubricants made from mineral oils are discussed. Types and compositions of base stocks are reviewed and the product demands and compositions of typical products are outlined. Processes for commercial production of mineral oils are examined. Tables of data are included to show examples of product types and requirements. A chemical analysis of three types of mineral oils is reported.

  5. Accurate, Productive Aerodynamic Simulation on Patched Mesh Systems

    DTIC Science & Technology

    1991-10-18

    NUMBER (S) • . .! " - e 6IL NAME OF PERFORMING ORGANIZATION b. OFFICE SYMBOL 7a. NAME OF MONITORING ORGANIZATIONr(Ifappljcabtej PEDA Corporation Air...PROCUREMENT INSTRUMENT IDENTIFICATION NUMBER ORGANIZATION (It applicable) F49620-85-C-0081 AFOSR I W NA 8c. ADDRESS (City. State and ZIP Code) 10 SOURCE OF...Object-Based, Algebraic Grid Generation, Chemically eacting Flow 19. ABSTRACT lContinue on reuer if necessary and identify by block number ) In the

  6. Accurately simulating anisotropic thermal conduction on a moving mesh

    NASA Astrophysics Data System (ADS)

    Kannan, Rahul; Springel, Volker; Pakmor, Rüdiger; Marinacci, Federico; Vogelsberger, Mark

    2016-05-01

    We present a novel implementation of an extremum preserving anisotropic diffusion solver for thermal conduction on the unstructured moving Voronoi mesh of the AREPO code. The method relies on splitting the one-sided facet fluxes into normal and oblique components, with the oblique fluxes being limited such that the total flux is both locally conservative and extremum preserving. The approach makes use of harmonic averaging points and a simple, robust interpolation scheme that works well for strong heterogeneous and anisotropic diffusion problems. Moreover, the required discretization stencil is small. Efficient fully implicit and semi-implicit time integration schemes are also implemented. We perform several numerical tests that evaluate the stability and accuracy of the scheme, including applications such as point explosions with heat conduction and calculations of convective instabilities in conducting plasmas. The new implementation is suitable for studying important astrophysical phenomena, such as the conductive heat transport in galaxy clusters, the evolution of supernova remnants, or the distribution of heat from black hole-driven jets into the intracluster medium.

  7. High-Accurate, Physics-Based Wake Simulation Techniques

    DTIC Science & Technology

    2015-01-27

    artificial viscos- ity sensor that has been augmented to make it more applicable to different this problem. Artificial viscosity is a necessity in...h is the minimum length, and ν is the maximum applicable viscosity . The maximum viscosity coefficient is be found by using a simple relationship...Global viscosity , or the application of viscosity to all locations, was also plotted to show how much more effective using a sensor is. The figure shows

  8. Accurate simulations of TEPC neutron spectra using Geant4

    NASA Astrophysics Data System (ADS)

    Taylor, G. C.; Hawkes, N. P.; Shippen, A.

    2015-11-01

    A Geant4 model of a tissue-equivalent proportional counter (TEPC) has been developed in which the calculated output spectrum exhibits unparalleled agreement with experiment for monoenergetic neutron fields at several energies below 20 MeV. The model uses the standard release of the Geant4 9.6 p2 code, but with a non-standard neutron cross section file as provided by Mendoza et al., and with the environment variable options recommended by the same authors. This configuration was found to produce significant improvements in the alpha-dominated region of the calculated response. In this paper, these improvements are presented, and the post-processing required to convert deposited energy into the number of ion pairs (which is the quantity actually measured experimentally) is discussed.

  9. Enhancement of oxygen mass transfer and gas holdup using palm oil in stirred tank bioreactors with xanthan solutions as simulated viscous fermentation broths.

    PubMed

    Mohd Sauid, Suhaila; Krishnan, Jagannathan; Huey Ling, Tan; Veluri, Murthy V P S

    2013-01-01

    Volumetric mass transfer coefficient (kLa) is an important parameter in bioreactors handling viscous fermentations such as xanthan gum production, as it affects the reactor performance and productivity. Published literatures showed that adding an organic phase such as hydrocarbons or vegetable oil could increase the kLa. The present study opted for palm oil as the organic phase as it is plentiful in Malaysia. Experiments were carried out to study the effect of viscosity, gas holdup, and kLa on the xanthan solution with different palm oil fractions by varying the agitation rate and aeration rate in a 5 L bench-top bioreactor fitted with twin Rushton turbines. Results showed that 10% (v/v) of palm oil raised the kLa of xanthan solution by 1.5 to 3 folds with the highest kLa value of 84.44 h(-1). It was also found that palm oil increased the gas holdup and viscosity of the xanthan solution. The kLa values obtained as a function of power input, superficial gas velocity, and palm oil fraction were validated by two different empirical equations. Similarly, the gas holdup obtained as a function of power input and superficial gas velocity was validated by another empirical equation. All correlations were found to fit well with higher determination coefficients.

  10. Enhancement of Oxygen Mass Transfer and Gas Holdup Using Palm Oil in Stirred Tank Bioreactors with Xanthan Solutions as Simulated Viscous Fermentation Broths

    PubMed Central

    Mohd Sauid, Suhaila; Huey Ling, Tan; Veluri, Murthy V. P. S.

    2013-01-01

    Volumetric mass transfer coefficient (kLa) is an important parameter in bioreactors handling viscous fermentations such as xanthan gum production, as it affects the reactor performance and productivity. Published literatures showed that adding an organic phase such as hydrocarbons or vegetable oil could increase the kLa. The present study opted for palm oil as the organic phase as it is plentiful in Malaysia. Experiments were carried out to study the effect of viscosity, gas holdup, and kLa on the xanthan solution with different palm oil fractions by varying the agitation rate and aeration rate in a 5 L bench-top bioreactor fitted with twin Rushton turbines. Results showed that 10% (v/v) of palm oil raised the kLa of xanthan solution by 1.5 to 3 folds with the highest kLa value of 84.44 h−1. It was also found that palm oil increased the gas holdup and viscosity of the xanthan solution. The kLa values obtained as a function of power input, superficial gas velocity, and palm oil fraction were validated by two different empirical equations. Similarly, the gas holdup obtained as a function of power input and superficial gas velocity was validated by another empirical equation. All correlations were found to fit well with higher determination coefficients. PMID:24350269

  11. International Oil Supplies and Demands

    SciTech Connect

    Not Available

    1991-09-01

    The eleventh Energy Modeling Forum (EMF) working group met four times over the 1989--90 period to compare alternative perspectives on international oil supplies and demands through 2010 and to discuss how alternative supply and demand trends influence the world's dependence upon Middle Eastern oil. Proprietors of eleven economic models of the world oil market used their respective models to simulate a dozen scenarios using standardized assumptions. From its inception, the study was not designed to focus on the short-run impacts of disruptions on oil markets. Nor did the working group attempt to provide a forecast or just a single view of the likely future path for oil prices. The model results guided the group's thinking about many important longer-run market relationships and helped to identify differences of opinion about future oil supplies, demands, and dependence.

  12. International Oil Supplies and Demands

    SciTech Connect

    Not Available

    1992-04-01

    The eleventh Energy Modeling Forum (EMF) working group met four times over the 1989--1990 period to compare alternative perspectives on international oil supplies and demands through 2010 and to discuss how alternative supply and demand trends influence the world's dependence upon Middle Eastern oil. Proprietors of eleven economic models of the world oil market used their respective models to simulate a dozen scenarios using standardized assumptions. From its inception, the study was not designed to focus on the short-run impacts of disruptions on oil markets. Nor did the working group attempt to provide a forecast or just a single view of the likely future path for oil prices. The model results guided the group's thinking about many important longer-run market relationships and helped to identify differences of opinion about future oil supplies, demands, and dependence.

  13. Emission sources sensitivity study for ground-level ozone and PM2.5 due to oil sands development using air quality modeling system: Part I- model evaluation for current year base case simulation

    NASA Astrophysics Data System (ADS)

    Cho, Sunny; McEachern, Preston; Morris, Ralph; Shah, Tejas; Johnson, Jeremiah; Nopmongcol, Uarporn

    2012-08-01

    The Community Multiscale Air Quality (CMAQ) and the Sparse Matrix Operator Kernel Emissions (SMOKE) modeling systems were used to simulate emissions and air quality in North Eastern Alberta where a rapid rise in oil sands development has caused air quality concerns over the last decade. The models were run on a 36/12/4 km domain for the four month period of May through August 2002. A model performance evaluation was conducted by comparing the CMAQ model estimates against ambient air quality measurements. In the Alberta oil sands region, the model tended to achieve or nearly achieve ozone model performance goals, albeit with an underestimation bias. The magnitudes of the observed PM2.5 concentrations were matched by the modeling system, except when the observed PM2.5 concentrations were influenced by emissions from forest fires in which case the model underestimated the observed PM2.5 concentrations. The CMAQ-estimated 4th highest daily maximum 8-hour ozone concentrations in the oil sands region were below the 65 ppb Canada Wide Standard (CWS) as well as the 58 ppb Alberta Management Plan Trigger Level. The highest estimated ozone concentrations occurred near the oil sands development area just north of Fort McMurray with values approaching, but below, the 58 ppb Management Plan Trigger Level; estimated ozone concentrations are much lower in the farther northern portions of the oil sands region. The acute (i.e., maximum 3-day value) SUM60 vegetative ozone exposure metric was mostly less than 100 ppb h, which is below the threshold of concern for crops. However, just north of Fort McMurray there were small areas where the acute SUM60 metric exceeded the 500-700 ppb h threshold of concern for crops with maximum values in plumes from sources in the oil sands mine area of ˜900 ppb h. The maximum chronic (three-month average) SUM60 ozone exposure metric was below the thresholds of concern. The CMAQ-estimated maximum 98th percentile 24-hour average PM2.5 concentration

  14. 38 CFR 4.46 - Accurate measurement.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2013-07-01 2013-07-01 false Accurate measurement. 4... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect...

  15. 38 CFR 4.46 - Accurate measurement.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2012-07-01 2012-07-01 false Accurate measurement. 4... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect...

  16. 38 CFR 4.46 - Accurate measurement.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2010-07-01 2010-07-01 false Accurate measurement. 4... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect...

  17. 38 CFR 4.46 - Accurate measurement.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2014-07-01 2014-07-01 false Accurate measurement. 4... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect...

  18. 38 CFR 4.46 - Accurate measurement.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2011-07-01 2011-07-01 false Accurate measurement. 4... RATING DISABILITIES Disability Ratings The Musculoskeletal System § 4.46 Accurate measurement. Accurate measurement of the length of stumps, excursion of joints, dimensions and location of scars with respect...

  19. An Oil/Water disperser device for use in an oil content Monitor/Control system

    NASA Astrophysics Data System (ADS)

    Kempel, F. D.

    1985-07-01

    This patent application discloses an oil content monitor/control unit system, including an oil/water disperser device, which is configured to automatically monitor and control processed effluent from an associated oil/water separator so that if the processed effluent exceeds predetermine in-port or at-sea oil concentration lmits, it is either recirculated to an associated oil/water separator via a ship's bilge for additional processing, or diverted to a holding tank for storage. On the other hand, if the oil concentration of the processed effluent is less than predetermine in-port or at-sea limits, it is discharged overboard. The oil/water disperser device is configured to break up any oil present in the processed effluent into uniform droplets for more accurate sensing of the oil present in the processed effluent into uniform droplets for more accurate sensing of the oil-in-water concentration level thereof. The oil/water disperser device has a flow-actuated variable orifice configured into a spring-loaded polyethylene plunger which provides the uniform distribution of oil droplets.

  20. Accurate torque-speed performance prediction for brushless dc motors

    NASA Astrophysics Data System (ADS)

    Gipper, Patrick D.

    Desirable characteristics of the brushless dc motor (BLDCM) have resulted in their application for electrohydrostatic (EH) and electromechanical (EM) actuation systems. But to effectively apply the BLDCM requires accurate prediction of performance. The minimum necessary performance characteristics are motor torque versus speed, peak and average supply current and efficiency. BLDCM nonlinear simulation software specifically adapted for torque-speed prediction is presented. The capability of the software to quickly and accurately predict performance has been verified on fractional to integral HP motor sizes, and is presented. Additionally, the capability of torque-speed prediction with commutation angle advance is demonstrated.

  1. Accurate, reliable prototype earth horizon sensor head

    NASA Technical Reports Server (NTRS)

    Schwarz, F.; Cohen, H.

    1973-01-01

    The design and performance is described of an accurate and reliable prototype earth sensor head (ARPESH). The ARPESH employs a detection logic 'locator' concept and horizon sensor mechanization which should lead to high accuracy horizon sensing that is minimally degraded by spatial or temporal variations in sensing attitude from a satellite in orbit around the earth at altitudes in the 500 km environ 1,2. An accuracy of horizon location to within 0.7 km has been predicted, independent of meteorological conditions. This corresponds to an error of 0.015 deg-at 500 km altitude. Laboratory evaluation of the sensor indicates that this accuracy is achieved. First, the basic operating principles of ARPESH are described; next, detailed design and construction data is presented and then performance of the sensor under laboratory conditions in which the sensor is installed in a simulator that permits it to scan over a blackbody source against background representing the earth space interface for various equivalent plant temperatures.

  2. SILKFORCAST: a new tool for quantitative oil spill contingency planning

    SciTech Connect

    Poley, J. P.

    1980-07-01

    SILKFORCAST is a deterministic oil spill simulation program and a probabilistic oil spill simulator based on a Monte Carlo approach. Modules are included for pre-processing of weather data from various sources into a unified format. Tidal current and wind data are also considered. The model permits the forecasting of oil spill fates on a long- and short-term basis.

  3. A Monte Carlo simulation method for the assessment of undiscovered, conventional oil and gas: Chapter 26 in Petroleum systems and geologic assessment of oil and gas in the San Joaquin Basin Province, California

    USGS Publications Warehouse

    Charpentier, Ronald R.; Klett, T.R.

    2007-01-01

    The U.S. Geological Survey has developed two Monte Carlo programs for assessment of undiscovered conventional oil and gas resources. EMCEE (for Energy Monte Carlo) and Emc2 (for Energy Monte Carlo program 2) are programs that calculate probabilistic estimates of undiscovered resources based on input distributions for numbers and sizes of undiscovered fields. Emc2 uses specific types of distributions for the input, whereas EMCEE allows greater flexibility of the input distribution types.

  4. A NEW GENERATION CHEMICAL FLOODING SIMULATOR

    SciTech Connect

    Gary A. Pope; Kamy Sepehrnoori; Mojdeh Delshad

    2002-03-01

    The premise of this research is that a general-purpose reservoir simulator for several improved oil recovery processes can and should be developed so that high-resolution simulations of a variety of very large and difficult problems can be achieved using state-of-the-art computing and computers. Such a simulator is not currently available to the industry. The goal of this proposed research is to develop a new-generation chemical flooding simulator that is capable of efficiently and accurately simulating oil reservoirs with at least a million gridblocks in less than one day on massively parallel computers. Task 1 is the formulation and development of solution scheme, Task 2 is the implementation of the chemical module, and Task 3 is validation and application. We have made significant progress on all three tasks and we are on schedule on both technical and budget. In this report, we will detail our progress on Tasks 1 through 3 for the first six months of the project.

  5. A NEW GENERATION CHEMICAL FLOODING SIMULATOR

    SciTech Connect

    Gary A. Pope; Kamy Sepehrnoori; Mojdeh Delshad

    2004-05-01

    The premise of this research is that a general-purpose reservoir simulator for several improved oil recovery processes can and should be developed so that high-resolution simulations of a variety of very large and difficult problems can be achieved using state-of-the-art algorithms and computers. Such a simulator is not currently available to the industry. The goal of this proposed research is to develop a new-generation chemical flooding simulator that is capable of efficiently and accurately simulating oil reservoirs with at least a million gridblocks in less than one day on massively parallel computers. Task 1 is the formulation and development of solution scheme, Task 2 is the implementation of the chemical module, and Task 3 is validation and application. We have made significant progress on all three tasks and we are on schedule on both technical and budget. In this report, we will detail our progress on Tasks 1 through 3 for the first half of the third year of the project.

  6. Development of a Standalone Thermal Wellbore Simulator

    NASA Astrophysics Data System (ADS)

    Xiong, Wanqiang

    With continuous developments of various different sophisticated wells in the petroleum industry, wellbore modeling and simulation have increasingly received more attention. Especially in unconventional oil and gas recovery processes, there is a growing demand for more accurate wellbore modeling. Despite notable advancements made in wellbore modeling, none of the existing wellbore simulators has been as successful as reservoir simulators such as Eclipse and CMG's and further research works on handling issues such as accurate heat loss modeling and multi-tubing wellbore modeling are really necessary. A series of mathematical equations including main governing equations, auxiliary equations, PVT equations, thermodynamic equations, drift-flux model equations, and wellbore heat loss calculation equations are collected and screened from publications. Based on these modeling equations, workflows for wellbore simulation and software development are proposed. Research works are conducted in key steps for developing a wellbore simulator: discretization, a grid system, a solution method, a linear equation solver, and computer language. A standalone thermal wellbore simulator is developed by using standard C++ language. This wellbore simulator can simulate single-phase injection and production, two-phase steam injection and two-phase oil and water production. By implementing a multi-part scheme which divides a wellbore with sophisticated configuration into several relative simple simulation running units, this simulator can handle different complex wellbores: wellbore with multistage casings, horizontal wells, multilateral wells and double tubing. In pursuance of improved accuracy of heat loss calculations to surrounding formations, a semi-numerical method is proposed and a series of FLUENT simulations have been conducted in this study. This semi-numerical method involves extending the 2D formation heat transfer simulation to include a casing wall and cement and adopting new

  7. Poly(ε-caprolactone) Microfiber Meshes for Repeated Oil Retrieval

    PubMed Central

    Hersey, J. S.; Yohe, S. T.; Grinstaff, M. W.

    2016-01-01

    Electrospun non-woven poly(ε-caprolactone) (PCL) microfiber meshes are described as biodegradable, mechanically robust, and reusable polymeric oil sorbents capable of selectively retrieving oil from simulated oil spills in both fresh and seawater scenarios. Hydrophobic PCL meshes have >99.5% (oil over water) oil selectivity and oil absorption capacities of ~10 grams of oil per gram of sorbent material, which is shown to be a volumetrically driven process. Both the oil selectivity and absorption capacity remained constant over several oil absorption and vacuum assisted retrieval cycles when removing crude oil or mechanical pump oil from deionized water or simulated seawater mixtures. Finally, when challenged with surfactant stabilized water-in-oil emulsions, the PCL meshes continued to show selective oil absorption. These studies add to the knowledge base of synthetic oil sorbents highlighting a need for biodegradable synthetic oil sorbents which balance porosity and mechanical integrity enabling reuse, allowing for the efficient recovery of oil after an accidental oil spill. PMID:26989490

  8. Accurate thermoelastic tensor and acoustic velocities of NaCl

    NASA Astrophysics Data System (ADS)

    Marcondes, Michel L.; Shukla, Gaurav; da Silveira, Pedro; Wentzcovitch, Renata M.

    2015-12-01

    Despite the importance of thermoelastic properties of minerals in geology and geophysics, their measurement at high pressures and temperatures are still challenging. Thus, ab initio calculations are an essential tool for predicting these properties at extreme conditions. Owing to the approximate description of the exchange-correlation energy, approximations used in calculations of vibrational effects, and numerical/methodological approximations, these methods produce systematic deviations. Hybrid schemes combining experimental data and theoretical results have emerged as a way to reconcile available information and offer more reliable predictions at experimentally inaccessible thermodynamics conditions. Here we introduce a method to improve the calculated thermoelastic tensor by using highly accurate thermal equation of state (EoS). The corrective scheme is general, applicable to crystalline solids with any symmetry, and can produce accurate results at conditions where experimental data may not exist. We apply it to rock-salt-type NaCl, a material whose structural properties have been challenging to describe accurately by standard ab initio methods and whose acoustic/seismic properties are important for the gas and oil industry.

  9. Accurate thermoelastic tensor and acoustic velocities of NaCl

    SciTech Connect

    Marcondes, Michel L.; Shukla, Gaurav; Silveira, Pedro da; Wentzcovitch, Renata M.

    2015-12-15

    Despite the importance of thermoelastic properties of minerals in geology and geophysics, their measurement at high pressures and temperatures are still challenging. Thus, ab initio calculations are an essential tool for predicting these properties at extreme conditions. Owing to the approximate description of the exchange-correlation energy, approximations used in calculations of vibrational effects, and numerical/methodological approximations, these methods produce systematic deviations. Hybrid schemes combining experimental data and theoretical results have emerged as a way to reconcile available information and offer more reliable predictions at experimentally inaccessible thermodynamics conditions. Here we introduce a method to improve the calculated thermoelastic tensor by using highly accurate thermal equation of state (EoS). The corrective scheme is general, applicable to crystalline solids with any symmetry, and can produce accurate results at conditions where experimental data may not exist. We apply it to rock-salt-type NaCl, a material whose structural properties have been challenging to describe accurately by standard ab initio methods and whose acoustic/seismic properties are important for the gas and oil industry.

  10. Barley Oil

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Barley (Hordeum vulgare) is an ancient grain that has was domesticated for use as a food. Currently only about 2% is used for food, about two thirds is used for animal feed and one third for malting. Because the oil content of most barley cultivars is low (<2%), obtaining oil from whole barley gra...

  11. Oil spills abatement: factors affecting oil uptake by cellulosic fibers.

    PubMed

    Payne, Katharine C; Jackson, Colby D; Aizpurua, Carlos E; Rojas, Orlando J; Hubbe, Martin A

    2012-07-17

    Wood-derived cellulosic fibers prepared in different ways were successfully employed to absorb simulated crude oil, demonstrating their possible use as absorbents in the case of oil spills. When dry fibers were used, the highest sorption capacity (six parts of oil per unit mass of fiber) was shown by bleached softwood kraft fibers, compared to hardwood bleached kraft and softwood chemithermomechanical pulp(CTMP) fibers. Increased refining of CTMP fibers decreased their oil uptake capacity. When the fibers were soaked in water before exposure to the oil, the ability of the unmodified kraft fibers to sorb oil was markedly reduced, whereas the wet CTMP fibers were generally more effective than the wet kraft fibers. Predeposition of lignin onto the surfaces of the bleached kraft fibers improved their ability to take up oil when wet. Superior ability to sorb oil in the wet state was achieved by pretreating the kraft fibers with a hydrophobic sizing agent, alkenylsuccinic anhydride (ASA). Contact angle tests on a model cellulose surface showed that some of the sorption results onto wetted fibers could be attributed to the more hydrophobic nature of the fibers after treatment with either lignin or ASA.

  12. Use of acetate, propionate and butyrate for reduction of nitrate and sulfate and methanogenesis in microcosms and bioreactors simulating an oil reservoir.

    PubMed

    Chen, Chuan; Shen, Yin; An, Dongshan; Voordouw, Gerrit

    2017-01-27

    Acetate, propionate and butyrate (volatile fatty acids, VFA) occur in oil field waters and are frequently used for microbial growth of oil field consortia. We determined the kinetics of use of these VFA components (3 mM of each) by an anaerobic oil field consortium in microcosms containing 2 mM sulfate and either 0, 4, 6, 8 or 13 mM of nitrate. Nitrate was reduced first with preference for acetate and propionate. Sulfate reduction then proceeded with propionate (not butyrate) as the electron donor, whereas the fermentation of butyrate (not propionate) was associated with methanogenesis. Microbial community analyses indicated Paracoccus-Thauera, Desulfobulbus and Syntrophomonas-Methanobacterium as the dominant taxa catalyzing these three processes. Most probable number assays showed the presence of up to 10(7)/ml of propionate-oxidizing SRB in waters from the Medicine Hat Glauconitic C field. Bioreactors with the same concentrations of sulfate and VFA responded similarly to increasing concentrations of injected nitrate as observed in the microcosms: sulfide formation was prevented by adding approximately 80% of the nitrate dose needed to completely oxidize VFA to CO2 in both. Thus this work has demonstrated that simple time-dependent observations of the use of acetate, propionate and butyrate for nitrate reduction, sulfate reduction and methanogenesis in microcosms are a good proxy for these processes in bioreactors of which monitoring is more complex.

  13. Influence of pH on dynamics of microbial enhanced oil recovery processes using biosurfactant producing Pseudomonas putida: Mathematical modelling and numerical simulation.

    PubMed

    Sivasankar, P; Suresh Kumar, G

    2017-01-01

    In present work, the influence of reservoir pH conditions on dynamics of microbial enhanced oil recovery (MEOR) processes using Pseudomonas putida was analysed numerically from the developed mathematical model for MEOR processes. Further, a new strategy to improve the MEOR performance has also been proposed. It is concluded from present study that by reversing the reservoir pH from highly acidic to low alkaline condition (pH 5-8), flow and mobility of displaced oil, displacement efficiency, and original oil in place (OOIP) recovered gets significantly enhanced, resulting from improved interfacial tension (IFT) reduction by biosurfactants. At pH 8, maximum of 26.1% of OOIP was recovered with higher displacement efficiency. The present study introduces a new strategy to increase the recovery efficiency of MEOR technique by characterizing the biosurfactants for IFTmin/IFTmax values for different pH conditions and subsequently, reversing the reservoir pH conditions at which the IFTmin/IFTmax value is minimum.

  14. Biostimulation proved to be the most efficient method in the comparison of in situ soil remediation treatments after a simulated oil spill accident.

    PubMed

    Simpanen, Suvi; Dahl, Mari; Gerlach, Magdalena; Mikkonen, Anu; Malk, Vuokko; Mikola, Juha; Romantschuk, Martin

    2016-12-01

    The use of in situ techniques in soil remediation is still rare in Finland and most other European countries due to the uncertainty of the effectiveness of the techniques especially in cold regions and also due to their potential side effects on the environment. In this study, we compared the biostimulation, chemical oxidation, and natural attenuation treatments in natural conditions and pilot scale during a 16-month experiment. A real fuel spill accident was used as a model for experiment setup and soil contamination. We found that biostimulation significantly decreased the contaminant leachate into the water, including also the non-aqueous phase liquid (NAPL). The total NAPL leachate was 19 % lower in the biostimulation treatment that in the untreated soil and 34 % lower in the biostimulation than oxidation treatment. Soil bacterial growth and community changes were first observed due to the increased carbon content via oil amendment and later due to the enhanced nutrient content via biostimulation. Overall, the most effective treatment for fresh contaminated soil was biostimulation, which enhanced the biodegradation of easily available oil in the mobile phase and consequently reduced contaminant leakage through the soil. The chemical oxidation did not enhance soil cleanup and resulted in the mobilization of contaminants. Our results suggest that biostimulation can decrease or even prevent oil migration in recently contaminated areas and can thus be considered as a potentially safe in situ treatment also in groundwater areas.

  15. Synergistic use of an oil drift model and remote sensing observations for oil spill monitoring.

    PubMed

    De Padova, Diana; Mossa, Michele; Adamo, Maria; De Carolis, Giacomo; Pasquariello, Guido

    2017-02-01

    In case of oil spills due to disasters, one of the environmental concerns is the oil trajectories and spatial distribution. To meet these new challenges, spill response plans need to be upgraded. An important component of such a plan would be models able to simulate the behaviour of oil in terms of trajectories and spatial distribution, if accidentally released, in deep water. All these models need to be calibrated with independent observations. The aim of the present paper is to demonstrate that significant support to oil slick monitoring can be obtained by the synergistic use of oil drift models and remote sensing observations. Based on transport properties and weathering processes, oil drift models can indeed predict the fate of spilled oil under the action of water current velocity and wind in terms of oil position, concentration and thickness distribution. The oil spill event that occurred on 31 May 2003 in the Baltic Sea offshore the Swedish and Danish coasts is considered a case study with the aim of producing three-dimensional models of sea circulation and oil contaminant transport. The High-Resolution Limited Area Model (HIRLAM) is used for atmospheric forcing. The results of the numerical modelling of current speed and water surface elevation data are validated by measurements carried out in Kalmarsund, Simrishamn and Kungsholmsfort stations over a period of 18 days and 17 h. The oil spill model uses the current field obtained from a circulation model. Near-infrared (NIR) satellite images were compared with numerical simulations. The simulation was able to predict both the oil spill trajectories of the observed slick and thickness distribution. Therefore, this work shows how oil drift modelling and remotely sensed data can provide the right synergy to reproduce the timing and transport of the oil and to get reliable estimates of thicknesses of spilled oil to prepare an emergency plan and to assess the magnitude of risk involved in case of oil spills due

  16. Peak Oil, Peak Coal and Climate Change

    NASA Astrophysics Data System (ADS)

    Murray, J. W.

    2009-05-01

    Research on future climate change is driven by the family of scenarios developed for the IPCC assessment reports. These scenarios create projections of future energy demand using different story lines consisting of government policies, population projections, and economic models. None of these scenarios consider resources to be limiting. In many of these scenarios oil production is still increasing to 2100. Resource limitation (in a geological sense) is a real possibility that needs more serious consideration. The concept of 'Peak Oil' has been discussed since M. King Hubbert proposed in 1956 that US oil production would peak in 1970. His prediction was accurate. This concept is about production rate not reserves. For many oil producing countries (and all OPEC countries) reserves are closely guarded state secrets and appear to be overstated. Claims that the reserves are 'proven' cannot be independently verified. Hubbert's Linearization Model can be used to predict when half the ultimate oil will be produced and what the ultimate total cumulative production (Qt) will be. US oil production can be used as an example. This conceptual model shows that 90% of the ultimate US oil production (Qt = 225 billion barrels) will have occurred by 2011. This approach can then be used to suggest that total global production will be about 2200 billion barrels and that the half way point will be reached by about 2010. This amount is about 5 to 7 times less than assumed by the IPCC scenarios. The decline of Non-OPEC oil production appears to have started in 2004. Of the OPEC countries, only Saudi Arabia may have spare capacity, but even that is uncertain, because of lack of data transparency. The concept of 'Peak Coal' is more controversial, but even the US National Academy Report in 2007 concluded only a small fraction of previously estimated reserves in the US are actually minable reserves and that US reserves should be reassessed using modern methods. British coal production can be

  17. Hydrodynamic factors affecting the persistence of the Exxon Valdez oil in a shallow bedrock beach

    NASA Astrophysics Data System (ADS)

    Xia, Yuqiang; Li, Hailong; Boufadel, Michel C.; Sharifi, Youness

    2010-10-01

    We report a field study and numerical modeling of multicomponent flow in a tidal gravel beach in Knight Island, Prince William Sound, Alaska, where oil from the 1989 Exxon Valdez oil spill persisted. Field measurements of water table, salinity, and tracer (lithium) concentration were obtained for around a week during the summer of 2008. The numerical model MARUN was used to simulate the field observations. On the basis of field experiments and numerical simulations, the beach was identified to have a two-layered hydraulic structure: a high-permeability surface layer underlain by a low-permeability lower layer. The hydraulic conductivity was found to be 5 × 10-2 m s-1 for the surface layer and 7 × 10-6 m s-1 for the lower layer. The simulations reproduced the observed water table, salinity, and lithium concentrations accurately. The small flow entering the beach from the land side resulted in a beach water table dropping below the interface of the two layers. This seems to be the major reason for the presence of oil in the lower layer. The exchange flow between the beach and the sea due to tidal influence was ˜2.12 m3 d-1 m-1. The patterns of inflow and outflow rates showed that the maximum seawater-groundwater exchange occurred in the middle to high intertidal zone, which explains the persistence of oil in the lower intertidal zone. To explore bioremediation of the beach with nutrient amendment, a numerical simulation of nutrient application on the beach surface was conducted, where the applied nutrient concentration was 5,000 mg L-1. The results showed that the nutrient concentration remaining in oiled areas after a week was larger than 50 mg L-1, which is larger than that needed for maximum microbial growth (2-10 mg L-1). This implies that the bioremediation via nutrient application on the beach surface could be adopted if nutrients were the only limiting factor.

  18. OPTICAL FIBER SENSOR TECHNOLOGIES FOR EFFICIENT AND ECONOMICAL OIL RECOVERY

    SciTech Connect

    Anbo Wang; Kristie L. Cooper; Gary R. Pickrell

    2003-06-01

    Efficient recovery of petroleum reserves from existing oil wells has been proven to be difficult due to the lack of robust instrumentation that can accurately and reliably monitor processes in the downhole environment. Commercially available sensors for measurement of pressure, temperature, and fluid flow exhibit shortened lifetimes in the harsh downhole conditions, which are characterized by high pressures (up to 20 kpsi), temperatures up to 250 C, and exposure to chemically reactive fluids. Development of robust sensors that deliver continuous, real-time data on reservoir performance and petroleum flow pathways will facilitate application of advanced recovery technologies, including horizontal and multilateral wells. This is the final report for the four-year program ''Optical Fiber Sensor Technologies for Efficient and Economical Oil Recovery'', funded by the National Petroleum Technology Office of the U.S. Department of Energy, and performed by the Center for Photonics Technology of the Bradley Department of Electrical and Computer Engineering at Virginia Tech from October 1, 1999 to March 31, 2003. The main objective of this research program was to develop cost-effective, reliable optical fiber sensor instrumentation for real-time monitoring of various key parameters crucial to efficient and economical oil production. During the program, optical fiber sensors were demonstrated for the measurement of temperature, pressure, flow, and acoustic waves, including three successful field tests in the Chevron/Texaco oil fields in Coalinga, California, and at the world-class oil flow simulation facilities in Tulsa, Oklahoma. Research efforts included the design and fabrication of sensor probes, development of signal processing algorithms, construction of test systems, development and testing of strategies for the protection of optical fibers and sensors in the downhole environment, development of remote monitoring capabilities allowing real-time monitoring of the field

  19. Extracting Time-Accurate Acceleration Vectors From Nontrivial Accelerometer Arrangements.

    PubMed

    Franck, Jennifer A; Blume, Janet; Crisco, Joseph J; Franck, Christian

    2015-09-01

    Sports-related concussions are of significant concern in many impact sports, and their detection relies on accurate measurements of the head kinematics during impact. Among the most prevalent recording technologies are videography, and more recently, the use of single-axis accelerometers mounted in a helmet, such as the HIT system. Successful extraction of the linear and angular impact accelerations depends on an accurate analysis methodology governed by the equations of motion. Current algorithms are able to estimate the magnitude of acceleration and hit location, but make assumptions about the hit orientation and are often limited in the position and/or orientation of the accelerometers. The newly formulated algorithm presented in this manuscript accurately extracts the full linear and rotational acceleration vectors from a broad arrangement of six single-axis accelerometers directly from the governing set of kinematic equations. The new formulation linearizes the nonlinear centripetal acceleration term with a finite-difference approximation and provides a fast and accurate solution for all six components of acceleration over long time periods (>250 ms). The approximation of the nonlinear centripetal acceleration term provides an accurate computation of the rotational velocity as a function of time and allows for reconstruction of a multiple-impact signal. Furthermore, the algorithm determines the impact location and orientation and can distinguish between glancing, high rotational velocity impacts, or direct impacts through the center of mass. Results are shown for ten simulated impact locations on a headform geometry computed with three different accelerometer configurations in varying degrees of signal noise. Since the algorithm does not require simplifications of the actual impacted geometry, the impact vector, or a specific arrangement of accelerometer orientations, it can be easily applied to many impact investigations in which accurate kinematics need to

  20. OIL BOND®

    EPA Pesticide Factsheets

    Technical product bulletin: this miscellaneous oil spill control agent is a solidifier used in cleanups. It absorbs and solidifies hydrocarbon spills on freshwater and saltwater or land applications. Ring spill with booms or pillows before treatment.

  1. Peanut Oil

    MedlinePlus

    ... are pregnant or breast-feeding. Allergy to peanuts, soybeans, and related plants: Peanut oil can cause serious ... reactions in people who are allergic to peanuts, soybeans, and other members of the Fabaceae plant family.

  2. Palm Oil

    MedlinePlus

    ... treating malaria, high blood pressure, high cholesterol, and cyanide poisoning. Palm oil is used for weight loss ... to decrease symptoms of malaria. High blood pressure. Cyanide poisoning. Weight loss agent. Cancer. Anti-aging. Brain ...

  3. Quantitation of microbial products and their effectiveness in enhanced oil recovery. Final report

    SciTech Connect

    Zhang, X.; Knapp, R.M.; McInerney, M.J.

    1995-02-01

    A three-dimensional, three-phase, multiple-component numerical simulator was developed to investigate transport and growth of microorganisms in porous media and the impacts of microbial activities on oil recovery. The microbial activities modeled in this study included: (1) growth, retention, chemotaxis, and end product inhibition of growth, (2) the formation of metabolic products, and (3) the consumption of nutrients. Major mechanisms for microbial enhanced oil recovery (MEOR) processes were modeled as follows: (1) improvement in sweep efficiency of a displacement process due to in situ plugging of highly-permeable production zones by cell mass or due to improved mobility control achieved by increasing the viscosity of the displacing fluid with a biopolymer, and (2) solubilization and mobilization of residual oil in porous media due to the reduction of the interfacial tension between oleic and aqueous phases by the production of a biosurfactant. The numerical solutions for mathematical models involved two steps. The distributions of pressure and phase saturations were solved from continuity equations and Darcy flow velocities for the aqueous phase were computed. This was followed by the solution of convection-dispersion equations for individual components. Numerical solutions from the proposed model were compared to results obtained from analytical equations, commercial simulators, and laboratory experiments. The comparison indicated that the model accurately quantified microbial transport and metabolism in porous media, and predicted additional crude oil recovery due to microbial processes. 50 refs., 41 figs., 26 tabs.

  4. Mill profiler machines soft materials accurately

    NASA Technical Reports Server (NTRS)

    Rauschl, J. A.

    1966-01-01

    Mill profiler machines bevels, slots, and grooves in soft materials, such as styrofoam phenolic-filled cores, to any desired thickness. A single operator can accurately control cutting depths in contour or straight line work.

  5. Accurate modelling of unsteady flows in collapsible tubes.

    PubMed

    Marchandise, Emilie; Flaud, Patrice

    2010-01-01

    The context of this paper is the development of a general and efficient numerical haemodynamic tool to help clinicians and researchers in understanding of physiological flow phenomena. We propose an accurate one-dimensional Runge-Kutta discontinuous Galerkin (RK-DG) method coupled with lumped parameter models for the boundary conditions. The suggested model has already been successfully applied to haemodynamics in arteries and is now extended for the flow in collapsible tubes such as veins. The main difference with cardiovascular simulations is that the flow may become supercritical and elastic jumps may appear with the numerical consequence that scheme may not remain monotone if no limiting procedure is introduced. We show that our second-order RK-DG method equipped with an approximate Roe's Riemann solver and a slope-limiting procedure allows us to capture elastic jumps accurately. Moreover, this paper demonstrates that the complex physics associated with such flows is more accurately modelled than with traditional methods such as finite difference methods or finite volumes. We present various benchmark problems that show the flexibility and applicability of the numerical method. Our solutions are compared with analytical solutions when they are available and with solutions obtained using other numerical methods. Finally, to illustrate the clinical interest, we study the emptying process in a calf vein squeezed by contracting skeletal muscle in a normal and pathological subject. We compare our results with experimental simulations and discuss the sensitivity to parameters of our model.

  6. Calculating model for equivalent consumption efficiency in polarization measurement system of oil-spilled on the sea

    NASA Astrophysics Data System (ADS)

    Xu, Jiang; Qian, Weixian; Lu, Dongming; Lu, Yingcheng

    2016-07-01

    As a new analytical method to identify oil spill on sea, the main effect of polarization measurement system is the scattering polarization information of different measured parts. This paper observed the polarization characteristic of oil film and seawater, and analyzed the transmission path of polarized light in the samples. Combined with Fresnel formula and law of Beer, the path of polarized light was divided into three parts, and the light propagation between the molecules was analyzed in detail. The results were affected by the capacity to change the polarization state. In order to quantify the equivalence, we defined an equivalent consumption efficiency (ECE). The ECE describes the ability of the molecules to weaken the polarization attribute of incident light. Then according to the polarization information in Mueller matrix, we inferred that the oil film and seawater had different polarization characteristics. In order to verify the correctness of the model, we applied it to detect the actual oil spill on sea in the case of simulated sunlight finally. Research indicated that the propagation path of polarization light was in connection with the molecular structure and interactions of medium. Under the different measuring angles, the ECE of oil film and seawater have both differences and regularities, the experimental results indicated that it can be used for rapid detection of oil spill on sea, and the data is accurate and reliable.

  7. Accuracy improvement of the radar backscatter simulation from sea surface covered by oil slick using fetch-dependent waveheight spectrum: Comparison with the 2007 Heibei Spirit Case in the Yellow Sea

    NASA Astrophysics Data System (ADS)

    Kim, Tae-Ho; Yang, Chan-Su; Ouchi, Kazuo

    2016-03-01

    In this paper, results are presented on the comparison of X-band radar backscattering coefficient (RBC) from an oilcovered sea surface that features the Elfouhaily and Durden-Vesecky waveheight spectra. The Durden-Vesecky spectrum applies to a fully-developed sea, while the Elfouhaily spectrum accounts for the fetch of arbitrary length. Using these two waveheight spectra, a one-dimensional random rough surface is simulated by the Monte Carlo method, and the method of moments (MoM) is applied to yield the RBC. Comparison of the results with TerraSAR-X synthetic aperture radar (SAR) data acquired over the coastal waters polluted by the Hebei Spirit oil tanker shows that the Elfouhaily spectrum yields better agreement than the Durden-Vesecky spectrum for the fully-developed sea, and that the fetch-dependent Elfouhaily spectrum improves the agreement with SAR data in comparison with the fetch-independent spectrum for the fully developed sea. A possible application to estimate the amount of spilled oil is also suggested.

  8. Assist in the recovery of bypassed oil from reservoirs in the Gulf of Mexico. Quarterly status report (final), July 1--September 30, 1994

    SciTech Connect

    Schenewerk, P.A.

    1994-11-30

    The objective of this research is to assist the recovery of non contacted oil from known reservoirs on the Outer Continental Shelf in the Gulf of Mexico. Mature offshore reservoirs, declining oil reserves, declining production, and other natural forces are accelerating the abandonment of offshore oil resources and production platforms. As these offshore wells are plugged and the platforms are abandoned, an enormous volume of remaining oil will be permanently abandoned. Significant quantities of this oil could be recovered using advanced technologies now available if the resource can be identified. This project will proceed under three broad phases: (1) Analysis -- TORIS level data will be collected on the major fields located in the piercement salt dome province of the Gulf of Mexico Outer Continental Shelf. Representative reservoirs will be studied in detail in order to evaluate undeveloped and attic oil reserve potential. These detailed investigations will be used to calibrate the TORIS level predictive models. The recovery potential of advanced secondary and enhanced oil recovery processes and the exploitation of undeveloped and attic oil zones for salt dome reservoirs in the Gulf of Mexico will be assessed. (2) Supporting Research -- Supporting research will focus on the modification of public domain reservoir simulation models to accurately simulate the conditions encountered in the piercement salt dome province of the Gulf of Mexico. Laboratory research will focus on the development of fluid relationships that will be used in the simulation of miscible and immiscible processes in the project area. (3) Technology Transfer -- A significant effort is planned to transfer the results of this project to potential users of the technology. Technology transfer activities will also provide feedback channels that will help keep the analysis and supporting research focused on the most important problems associated with this project.

  9. Oil spills: Environmental effects. (Latest citations from the Selected Water Resources Abstracts database). Published Search

    SciTech Connect

    Not Available

    1993-01-01

    The bibliography contains citations concerning environmental impacts of oil spills primarily resulting from ship wrecks and oil drilling or exploration. Oil spills in temperate, tropic and arctic zones which affect fresh water, estuarine, and marine environments are included. Cleanup operations and priorities, computer modeling and simulation of oil spills, oil spill investigations, and prediction of oil slick movement in high traffic shipping lanes are among the topics discussed. Microbial degradation of oils, and toxicity studies of oils and oil dispersants affecting aquatic plant and animal life are considered. (Contains 250 citations and includes a subject term index and title list.)

  10. Oil spills: Environmental effects. (Latest citations from the Selected Water Resources Abstracts database). Published Search

    SciTech Connect

    Not Available

    1993-12-01

    The bibliography contains citations concerning environmental impacts of oil spills primarily resulting from ship wrecks and oil drilling or exploration. Oil spills in temperate, tropic and arctic zones which affect fresh water, estuarine, and marine environments are included. Cleanup operations and priorities, computer modeling and simulation of oil spills, oil spill investigations, and prediction of oil slick movement in high traffic shipping lanes are among the topics discussed. Microbial degradation of oils, and toxicity studies of oils and oil dispersants affecting aquatic plant and animal life are considered. (Contains 250 citations and includes a subject term index and title list.)

  11. Accurate adjoint design sensitivities for nano metal optics.

    PubMed

    Hansen, Paul; Hesselink, Lambertus

    2015-09-07

    We present a method for obtaining accurate numerical design sensitivities for metal-optical nanostructures. Adjoint design sensitivity analysis, long used in fluid mechanics and mechanical engineering for both optimization and structural analysis, is beginning to be used for nano-optics design, but it fails for sharp-cornered metal structures because the numerical error in electromagnetic simulations of metal structures is highest at sharp corners. These locations feature strong field enhancement and contribute strongly to design sensitivities. By using high-accuracy FEM calculations and rounding sharp features to a finite radius of curvature we obtain highly-accurate design sensitivities for 3D metal devices. To provide a bridge to the existing literature on adjoint methods in other fields, we derive the sensitivity equations for Maxwell's equations in the PDE framework widely used in fluid mechanics.

  12. An Accurate Link Correlation Estimator for Improving Wireless Protocol Performance

    PubMed Central

    Zhao, Zhiwei; Xu, Xianghua; Dong, Wei; Bu, Jiajun

    2015-01-01

    Wireless link correlation has shown significant impact on the performance of various sensor network protocols. Many works have been devoted to exploiting link correlation for protocol improvements. However, the effectiveness of these designs heavily relies on the accuracy of link correlation measurement. In this paper, we investigate state-of-the-art link correlation measurement and analyze the limitations of existing works. We then propose a novel lightweight and accurate link correlation estimation (LACE) approach based on the reasoning of link correlation formation. LACE combines both long-term and short-term link behaviors for link correlation estimation. We implement LACE as a stand-alone interface in TinyOS and incorporate it into both routing and flooding protocols. Simulation and testbed results show that LACE: (1) achieves more accurate and lightweight link correlation measurements than the state-of-the-art work; and (2) greatly improves the performance of protocols exploiting link correlation. PMID:25686314

  13. Accurate van der Waals coefficients from density functional theory

    PubMed Central

    Tao, Jianmin; Perdew, John P.; Ruzsinszky, Adrienn

    2012-01-01

    The van der Waals interaction is a weak, long-range correlation, arising from quantum electronic charge fluctuations. This interaction affects many properties of materials. A simple and yet accurate estimate of this effect will facilitate computer simulation of complex molecular materials and drug design. Here we develop a fast approach for accurate evaluation of dynamic multipole polarizabilities and van der Waals (vdW) coefficients of all orders from the electron density and static multipole polarizabilities of each atom or other spherical object, without empirical fitting. Our dynamic polarizabilities (dipole, quadrupole, octupole, etc.) are exact in the zero- and high-frequency limits, and exact at all frequencies for a metallic sphere of uniform density. Our theory predicts dynamic multipole polarizabilities in excellent agreement with more expensive many-body methods, and yields therefrom vdW coefficients C6, C8, C10 for atom pairs with a mean absolute relative error of only 3%. PMID:22205765

  14. Simulation Software

    NASA Technical Reports Server (NTRS)

    1996-01-01

    Various NASA Small Business Innovation Research grants from Marshall Space Flight Center, Langley Research Center and Ames Research Center were used to develop the 'kernel' of COMCO's modeling and simulation software, the PHLEX finite element code. NASA needed it to model designs of flight vehicles; one of many customized commercial applications is UNISIM, a PHLEX-based code for analyzing underground flows in oil reservoirs for Texaco, Inc. COMCO's products simulate a computational mechanics problem, estimate the solution's error and produce the optimal hp-adapted mesh for the accuracy the user chooses. The system is also used as a research or training tool in universities and in mechanical design in industrial corporations.

  15. MEDSLIK oil spill model recent developments

    NASA Astrophysics Data System (ADS)

    Lardner, Robin; Zodiatis, George

    2016-04-01

    MEDSLIK oil spill model recent developments Robin Lardner and George Zodiatis Oceanography Center, University of Cyprus, 1678 Nicosia, Cyprus MEDSLIK is a well established 3D oil spill model that predicts the transport, fate and weathering of oil spills and is used by several response agencies and institutions around the Mediterranean, the Black seas and worldwide. MEDSLIK has been used operationally for real oil spill accidents and for preparedness in contingency planning within the framework of pilot projects with REMPEC-Regional Marine Pollution Emergency Response Centre for the Mediterranean Sea and EMSA-European Maritime Safety Agency. MEDSLIK has been implemented in many EU funded