Assessment of Expert-Novice Chemistry Problem Solving Using HyperCard: Early Findings.

ERIC Educational Resources Information Center

Kumar, David D.

1993-01-01

Results of a HyperCard method for assessing the performance of expert and novice high school chemistry students solving stoichiometric chemistry problems (balancing chemical equations) is reported. MANOVA results indicate significant difference between expert and novice students solving the five stoichiometric chemistry problems using…

One Bottleneck at a Time

ERIC Educational Resources Information Center

Bonner, J. Jose; Lotter, Christine; Harwood, William

2004-01-01

Teachers can easily identify what subjects their students have trouble with, whether it is transcription and translation, glycolysis and fermentation, balancing chemical equations, or vector analysis of forces acting on an object. Yet, no matter how teachers try to make these complex issues more accessible to students, or how new editions of…

How Should Equation Balancing Be Taught?

ERIC Educational Resources Information Center

Porter, Spencer K.

1985-01-01

Matrix methods and oxidation-number methods are currently advocated and used for balancing equations. This article shows how balancing equations can be introduced by a third method which is related to a fundamental principle, is easy to learn, and is powerful in its application. (JN)

A Novel Code System for Revealing Sources of Students' Difficulties with Stoichiometry

ERIC Educational Resources Information Center

Gulacar, Ozcan; Overton, Tina L.; Bowman, Charles R.; Fynewever, Herb

2013-01-01

A coding scheme is presented and used to evaluate solutions of seventeen students working on twenty five stoichiometry problems in a think-aloud protocol. The stoichiometry problems are evaluated as a series of sub-problems (e.g., empirical formulas, mass percent, or balancing chemical equations), and the coding scheme was used to categorize each…

Approaches to Determining the Oxidation State of Nitrogen and Carbon Atoms in Organic Compounds for High School Students

ERIC Educational Resources Information Center

Jurowski, Kamil; Krzeczkowska, Malgorzata Krystyna; Jurowska, Anna

2015-01-01

The concept of oxidation state (or oxidation number) and related issues have always been difficult for students. In addition, there are misunderstandings and obscurities, which can cause improper balancing of the chemical equations (mostly in organic reactions). In particular, these problems are related to determination of the oxidation state of…

Improving traditional balancing methods for high-speed rotors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ling, J.; Cao, Y.

1996-01-01

This paper introduces frequency response functions, analyzes the relationships between the frequency response functions and influence coefficients theoretically, and derives corresponding mathematical equations for high-speed rotor balancing. The relationships between the imbalance masses on the rotor and frequency response functions are also analyzed based upon the modal balancing method, and the equations related to the static and dynamic imbalance masses and the frequency response function are obtained. Experiments on a high-speed rotor balancing rig were performed to verify the theory, and the experimental data agree satisfactorily with the analytical solutions. The improvement on the traditional balancing method proposed in thismore » paper will substantially reduce the number of rotor startups required during the balancing process of rotating machinery.« less

How strained are carbomeric-cycloalkanes?

PubMed

Wodrich, Matthew D; Gonthier, Jérôme F; Steinmann, Stephan N; Corminboeuf, Clémence

2010-06-24

The ring strain energies of carbomeric-cycloalkanes (molecules with one or more acetylene spacer units placed into carbon single bonds) are assessed using a series of isodesmic, homodesmotic, and hyperhomodesmotic chemical equations. Isodesmic bond separation reactions and other equations derived from the explicitly defined hierarchy of homodesmotic equations are insufficient for accurately determining these values, since not all perturbing effects (i.e., conjugation and hyperconjugation) are fully balanced. A set of homodesmotic reactions is proposed, which succeeds in balancing all stereoelectronic effects present within the carbomeric rings, allowing for a direct assessment of the strain energies. Values calculated from chemical equations are validated using an increment/additivity approach. The ring strain energy decreases as acetylene units are added, manifesting from the net stabilization gained by opening the C-CH(2)-C angle around the methylene groups and the destabilization arising from bending the C-C identical withC angles of the spacer groups. This destabilization vanishes with increasing parent ring size (i.e., the angle distortion is less in the carbomeric-cyclobutanes than in the carbomeric-cyclopropanes), leading to strain energies near zero for carbo(n)-cyclopentanes and carbo(n)-cyclohexanes.

Students' Understanding of Conservation of Matter, Stoichiometry and Balancing Equations in Indonesia

ERIC Educational Resources Information Center

Agung, Salamah; Schwartz, Marc S.

2007-01-01

This study examines Indonesian students' understanding of conservation of matter, balancing of equations and stoichiometry. Eight hundred and sixty-seven Grade 12 students from 22 schools across four different cities in two developed provinces in Indonesia participated in the study. Nineteen teachers also participated in order to validate the…

"Why not stoichiometry" versus "stoichiometry--why not?" Part I: General context.

PubMed

Michałowska-Kaczmarczyk, Anna Maria; Asuero, Agustin G; Michałowski, Tadeusz

2015-01-01

The elementary concepts involved with stoichiometry are considered from different viewpoints. Some examples of approximate calculations made according to the stoichiometric scheme are indicated, and correct resolution of the problems involved is presented. The principles of balancing chemical equations, based on their apparent similarities with algebraic equations, are criticized. The review concerns some peculiarities inherent in chemical reaction notation and its use (and abuse) in stoichiometric calculations that provide inconsistent results for various reasons. This "conventional" approach to stoichiometry is put in context with the generalized approach to electrolytic systems (GATES) established by Michałowski. The article contains a number of proposals that could potentially be taken into account and included in the next edition of the Orange Book. Notation of ions used in this article is not, deliberately, in accordance with actual IUPAC requirements in this respect. This article is intended to be provocative with the hope that some critical debate around the important topics treated should be generated and creatively expanded in the scientific community.

Modeling of Two-Wheeled Self-Balancing Robot Driven by DC Gearmotors

NASA Astrophysics Data System (ADS)

Frankovský, P.; Dominik, L.; Gmiterko, A.; Virgala, I.; Kurylo, P.; Perminova, O.

2017-08-01

This paper is aimed at modelling a two-wheeled self-balancing robot driven by the geared DC motors. A mathematical model consists of two main parts, the model of robot's mechanical structure and the model of the actuator. Linearized equations of motion are derived and the overall model of the two-wheeled self-balancing robot is represented in state-space realization for the purpose of state feedback controller design.

Supporting Students' Understanding of Linear Equations with One Variable Using Algebra Tiles

ERIC Educational Resources Information Center

Saraswati, Sari; Putri, Ratu Ilma Indra; Somakim

2016-01-01

This research aimed to describe how algebra tiles can support students' understanding of linear equations with one variable. This article is a part of a larger research on learning design of linear equations with one variable using algebra tiles combined with balancing method. Therefore, it will merely discuss one activity focused on how students…

On Pell, Pell-Lucas, and balancing numbers.

PubMed

Karadeniz Gözeri, Gül

2018-01-01

In this paper, we derive some identities on Pell, Pell-Lucas, and balancing numbers and the relationships between them. We also deduce some formulas on the sums, divisibility properties, perfect squares, Pythagorean triples involving these numbers. Moreover, we obtain the set of positive integer solutions of some specific Pell equations in terms of the integer sequences mentioned in the text.

THOR: an open-source exo-GCM

NASA Astrophysics Data System (ADS)

Grosheintz, Luc; Mendonça, João; Käppeli, Roger; Lukas Grimm, Simon; Mishra, Siddhartha; Heng, Kevin

2015-12-01

In this talk, I will present THOR, the first fully conservative, GPU-accelerated exo-GCM (general circulation model) on a nearly uniform, global grid that treats shocks and is non-hydrostatic. THOR will be freely available to the community as a standard tool.Unlike most GCMs THOR solves the full, non-hydrostatic Euler equations instead of the primitive equations. The equations are solved on a global three-dimensional icosahedral grid by a second order Finite Volume Method (FVM). Icosahedral grids are nearly uniform refinements of an icosahedron. We've implemented three different versions of this grid. FVM conserves the prognostic variables (density, momentum and energy) exactly and doesn't require a diffusion term (artificial viscosity) in the Euler equations to stabilize our solver. Historically FVM was designed to treat discontinuities correctly. Hence it excels at resolving shocks, including those present in hot exoplanetary atmospheres.Atmospheres are generally in near hydrostatic equilibrium. We therefore implement a well-balancing technique recently developed at the ETH Zurich. This well-balancing ensures that our FVM maintains hydrostatic equilibrium to machine precision. Better yet, it is able to resolve pressure perturbations from this equilibrium as small as one part in 100'000. It is important to realize that these perturbations are significantly smaller than the truncation error of the same scheme without well-balancing. If during the course of the simulation (due to forcing) the atmosphere becomes non-hydrostatic, our solver continues to function correctly.THOR just passed an important mile stone. We've implemented the explicit part of the solver. The explicit solver is useful to study instabilities or local problems on relatively short time scales. I'll show some nice properties of the explicit THOR. An explicit solver is not appropriate for climate study because the time step is limited by the sound speed. Therefore, we are working on the first fully implicit GCM. By ESS3, I hope to present results for the advection equation.THOR is part of the Exoclimes Simulation Platform (ESP), a set of open-source community codes for simulating and understanding the atmospheres of exoplanets. The ESP also includes tools for radiative transfer and retrieval (HELIOS), an opacity calculator (HELIOS-K), and a chemical kinetics solver (VULCAN). We expect to publicly release an initial version of THOR in 2016 on www.exoclime.org.

Growth monitoring and control in complex medium: a case study employing fed-batch penicillin fermentation and computer-aided on-line mass balancing.

PubMed

Mou, D G; Cooney, C L

1983-01-01

To broaden the practicality of on-line growth monitoring and control, its application in fedbatch penicillin fermentation using high corn steep liquor (CSL) concentration (53 g/L) is demonstrated. By employing a calculation method that considers the vagaries of CSL consumption, overall and instantaneous carbon-balancing equations are successfully used to calculate, on-line, the cell concentration and instantaneous specific growth rate in the penicillin production phase. As a consequence, these equations, together with a feedback control strategy, enable the computer control of glucose feed and maintenance of the preselected production-phase growth rate with error less than 0.002 h(-1).

An Analysis of the Algebraic Method for Balancing Chemical Reactions.

ERIC Educational Resources Information Center

Olson, John A.

1997-01-01

Analyzes the algebraic method for balancing chemical reactions. Introduces a third general condition that involves a balance between the total amount of oxidation and reduction. Requires the specification of oxidation states for all elements throughout the reaction. Describes the general conditions, the mathematical treatment, redox reactions, and…

Analysis of biochemical phase shift oscillators by a harmonic balancing technique.

PubMed

Rapp, P

1976-11-25

The use of harmonic balancing techniques for theoretically investigating a large class of biochemical phase shift oscillators is outlined and the accuracy of this approximate technique for large dimension nonlinear chemical systems is considered. It is concluded that for the equations under study these techniques can be successfully employed to both find periodic solutions and to indicate those cases which can not oscillate. The technique is a general one and it is possible to state a step by step procedure for its application. It has a substantial advantage in producing results which are immediately valid for arbitrary dimension. As the accuracy of the method increases with dimension, it complements classical small dimension methods. The results obtained by harmonic balancing analysis are compared with those obtained by studying the local stability properties of the singular points of the differential equation. A general theorem is derived which identifies those special cases where the results of first order harmonic balancing are identical to those of local stability analysis, and a necessary condition for this equivalence is derived. As a concrete example, the n-dimensional Goodwin oscillator is considered where p, the Hill coefficient of the feedback metabolite, is equal to three and four. It is shown that for p = 3 or 4 and n less than or equal to 4 the approximation indicates that it is impossible to construct a set of physically permissible reaction constants such that the system possesses a periodic solution. However for n greater than or equal to 5 it is always possible to find a large domain in the reaction constant space giving stable oscillations. A means of constructing such a parameter set is given. The results obtained here are compared with previously derived results for p = 1 and p = 2.

Something New from the Past.

ERIC Educational Resources Information Center

Schmuckler, Joseph S., Ed.

1980-01-01

Includes annotations of articles from previous issues of this periodical on the following topics: balancing equations and nomenclature, the mole, the silver tree experiment, and history of the periodic table. (CS)

Multithreaded Model for Dynamic Load Balancing Parallel Adaptive PDE Computations

NASA Technical Reports Server (NTRS)

Chrisochoides, Nikos

1995-01-01

We present a multithreaded model for the dynamic load-balancing of numerical, adaptive computations required for the solution of Partial Differential Equations (PDE's) on multiprocessors. Multithreading is used as a means of exploring concurrency in the processor level in order to tolerate synchronization costs inherent to traditional (non-threaded) parallel adaptive PDE solvers. Our preliminary analysis for parallel, adaptive PDE solvers indicates that multithreading can be used an a mechanism to mask overheads required for the dynamic balancing of processor workloads with computations required for the actual numerical solution of the PDE's. Also, multithreading can simplify the implementation of dynamic load-balancing algorithms, a task that is very difficult for traditional data parallel adaptive PDE computations. Unfortunately, multithreading does not always simplify program complexity, often makes code re-usability not an easy task, and increases software complexity.

Nested variant of the method of moments of coupled cluster equations for vertical excitation energies and excited-state potential energy surfaces.

PubMed

Kowalski, Karol

2009-05-21

In this article we discuss the problem of proper balancing of the noniterative corrections to the ground- and excited-state energies obtained with approximate coupled cluster (CC) and equation-of-motion CC (EOMCC) approaches. It is demonstrated that for a class of excited states dominated by single excitations and for states with medium doubly excited component, the newly introduced nested variant of the method of moments of CC equations provides mathematically rigorous way of balancing the ground- and excited-state correlation effects. The resulting noniterative methodology accounting for the effect of triples is tested using its parallel implementation on the systems, for which iterative CC/EOMCC calculations with full inclusion of triply excited configurations or their most important subset are numerically feasible.

Delay effects in the human sensory system during balancing.

PubMed

Stepan, Gabor

2009-03-28

Mechanical models of human self-balancing often use the Newtonian equations of inverted pendula. While these mathematical models are precise enough on the mechanical side, the ways humans balance themselves are still quite unexplored on the control side. Time delays in the sensory and motoric neural pathways give essential limitations to the stabilization of the human body as a multiple inverted pendulum. The sensory systems supporting each other provide the necessary signals for these control tasks; but the more complicated the system is, the larger delay is introduced. Human ageing as well as our actual physical and mental state affects the time delays in the neural system, and the mechanical structure of the human body also changes in a large range during our lives. The human balancing organ, the labyrinth, and the vision system essentially adapted to these relatively large time delays and parameter regions occurring during balancing. The analytical study of the simplified large-scale time-delayed models of balancing provides a Newtonian insight into the functioning of these organs that may also serve as a basis to support theories and hypotheses on balancing and vision.

Chemistry Notes.

ERIC Educational Resources Information Center

School Science Review, 1983

1983-01-01

Presents chemistry experiments, laboratory procedures, demonstrations, teaching suggestions, and classroom materials/activities. These include: game for teaching ionic formulas; method for balancing equations; description of useful redox series; computer programs (with listings) for water electrolysis simulation and for determining chemical…

Computations of Torque-Balanced Coaxial Rotor Flows

NASA Technical Reports Server (NTRS)

Yoon, Seokkwan; Chan, William M.; Pulliam, Thomas H.

2017-01-01

Interactional aerodynamics has been studied for counter-rotating coaxial rotors in hover. The effects of torque balancing on the performance of coaxial-rotor systems have been investigated. The three-dimensional unsteady Navier-Stokes equations are solved on overset grids using high-order accurate schemes, dual-time stepping, and a hybrid turbulence model. Computational results for an experimental model are compared to available data. The results for a coaxial quadcopter vehicle with and without torque balancing are discussed. Understanding interactions in coaxial-rotor flows would help improve the design of next-generation autonomous drones.

The Refinement-Tree Partition for Parallel Solution of Partial Differential Equations

PubMed Central

Mitchell, William F.

1998-01-01

Dynamic load balancing is considered in the context of adaptive multilevel methods for partial differential equations on distributed memory multiprocessors. An approach that periodically repartitions the grid is taken. The important properties of a partitioning algorithm are presented and discussed in this context. A partitioning algorithm based on the refinement tree of the adaptive grid is presented and analyzed in terms of these properties. Theoretical and numerical results are given. PMID:28009355

The Refinement-Tree Partition for Parallel Solution of Partial Differential Equations.

PubMed

Mitchell, William F

1998-01-01

Dynamic load balancing is considered in the context of adaptive multilevel methods for partial differential equations on distributed memory multiprocessors. An approach that periodically repartitions the grid is taken. The important properties of a partitioning algorithm are presented and discussed in this context. A partitioning algorithm based on the refinement tree of the adaptive grid is presented and analyzed in terms of these properties. Theoretical and numerical results are given.

Computer Series, 67: Bits and Pieces, 27.

ERIC Educational Resources Information Center

Moore, John W., Ed.

1986-01-01

Discusses a computer interfacing course using Commodore 64 microcomputers; a computer program for radioactive equilibrium; analysis of near infrared spectrum of hydrochloric acid molecules using Apple II microcomputers; microcomputer approach to conductivity titrations; balancing equations with Commodore 64's; formulation of mathematical…

Balancing novelty with confined chemical space in modern drug discovery.

PubMed

Medina-Franco, José L; Martinez-Mayorga, Karina; Meurice, Nathalie

2014-02-01

The concept of chemical space has broad applications in drug discovery. In response to the needs of drug discovery campaigns, different approaches are followed to efficiently populate, mine and select relevant chemical spaces that overlap with biologically relevant chemical spaces. This paper reviews major trends in current drug discovery and their impact on the mining and population of chemical space. We also survey different approaches to develop screening libraries with confined chemical spaces balancing physicochemical properties. In this context, the confinement is guided by criteria that can be divided in two broad categories: i) library design focused on a relevant therapeutic target or disease and ii) library design focused on the chemistry or a desired molecular function. The design and development of chemical libraries should be associated with the specific purpose of the library and the project goals. The high complexity of drug discovery and the inherent imperfection of individual experimental and computational technologies prompt the integration of complementary library design and screening approaches to expedite the identification of new and better drugs. Library design approaches including diversity-oriented synthesis, biological-oriented synthesis or combinatorial library design, to name a few, and the design of focused libraries driven by target/disease, chemical structure or molecular function are more efficient if they are guided by multi-parameter optimization. In this context, consideration of pharmaceutically relevant properties is essential for balancing novelty with chemical space in drug discovery.

Student Understanding of Chemical Equation Balancing.

ERIC Educational Resources Information Center

Yarroch, W. L.

1985-01-01

Results of interviews with high school chemistry students (N=14) during equation-solving sessions indicate that those who were able to construct diagrams consistent with notation of their balanced equation possessed good concepts of subscript and the balancing rule. Implications for chemistry teaching are discussed. (DH)

Linear systems on balancing chemical reaction problem

NASA Astrophysics Data System (ADS)

Kafi, R. A.; Abdillah, B.

2018-01-01

The concept of linear systems appears in a variety of applications. This paper presents a small sample of the wide variety of real-world problems regarding our study of linear systems. We show that the problem in balancing chemical reaction can be described by homogeneous linear systems. The solution of the systems is obtained by performing elementary row operations. The obtained solution represents the finding coefficients of chemical reaction. In addition, we present a computational calculation to show that mathematical software such as Matlab can be used to simplify completion of the systems, instead of manually using row operations.

Nanoscale Charge Balancing Mechanism in Calcium-Silicate-Hydrate Gels: Novel Complex Disordered Materials from First-principles

NASA Astrophysics Data System (ADS)

Ozcelik, Ongun; White, Claire

Alkali-activated materials which have augmented chemical compositions as compared to ordinary Portland cement are sustainable technologies that have the potential to lower CO2 emissions associated with the construction industry. In particular, calcium-silicate-hydrate (C-S-H) gel is altered at the atomic scale due to changes in its chemical composition. Here, based on first-principles calculations, we predict a charge balancing mechanism at the molecular level in C-S-H gels when alkali atoms are introduced into their structure. This charge balancing process is responsible for the formation of novel structures which possess superior mechanical properties compared to their charge unbalanced counterparts. Different structural representations are obtained depending on the level of substitution and the degree of charge balancing incorporated in the structures. The impact of these charge balancing effects on the structures is assessed by analyzing their formation energies, local bonding environments, diffusion barriers and mechanical properties. These results provide information on the phase stability of alkali/aluminum containing C-S-H gels, shedding light on the fundamental mechanisms that play a crucial role in these complex disordered materials. We acknowledge funding from the Princeton Center for Complex Materials, a MRSEC supported by NSF.

Dynamic Load-Balancing for Distributed Heterogeneous Computing of Parallel CFD Problems

NASA Technical Reports Server (NTRS)

Ecer, A.; Chien, Y. P.; Boenisch, T.; Akay, H. U.

2000-01-01

The developed methodology is aimed at improving the efficiency of executing block-structured algorithms on parallel, distributed, heterogeneous computers. The basic approach of these algorithms is to divide the flow domain into many sub- domains called blocks, and solve the governing equations over these blocks. Dynamic load balancing problem is defined as the efficient distribution of the blocks among the available processors over a period of several hours of computations. In environments with computers of different architecture, operating systems, CPU speed, memory size, load, and network speed, balancing the loads and managing the communication between processors becomes crucial. Load balancing software tools for mutually dependent parallel processes have been created to efficiently utilize an advanced computation environment and algorithms. These tools are dynamic in nature because of the chances in the computer environment during execution time. More recently, these tools were extended to a second operating system: NT. In this paper, the problems associated with this application will be discussed. Also, the developed algorithms were combined with the load sharing capability of LSF to efficiently utilize workstation clusters for parallel computing. Finally, results will be presented on running a NASA based code ADPAC to demonstrate the developed tools for dynamic load balancing.

A modified dodge algorithm for the parabolized Navier-Stokes equations and compressible duct flows

NASA Technical Reports Server (NTRS)

Cooke, C. H.

1981-01-01

A revised version of a split-velocity method for numerical calculation of compressible duct flow was developed. The revision incorporates balancing of mass flow rates on each marching step in order to maintain front-to-back continuity during the calculation. The (checkerboard) zebra algorithm is applied to solution of the three-dimensional continuity equation in conservative form. A second-order A-stable linear multistep method is employed in effecting a marching solution of the parabolized momentum equations. A checkerboard successive overrelaxation iteration is used to solve the resulting implicit nonlinear systems of finite-difference equations which govern stepwise transition.

A Study of the Effect of HyperCard and Pen-Paper Performance Assessment Methods on Expert-Novice Chemistry Problem Solving.

ERIC Educational Resources Information Center

Kumar, David D.; And Others

1994-01-01

Investigates HyperCard as a tool for assessment in science education and determines whether or not a HyperCard assessment instrument could differentiate between expert and novice student performance on balancing stoichiometric equations in science education. (ZWH)

The Mole Concept

ERIC Educational Resources Information Center

Duncan, I. M.; Johnstone, A. H.

1973-01-01

Reports a study of difficulties encountered by 14.5- to 15.0- year-old children in learning the mole concept with a programed instruction. Concludes that three respective disturbing factors were embedded in manipulation of molarity of solutions, balancing equations, and misapprehension that one mole of a compound always reacts with one mole of…

Have a Chemistry Field Day in Your Area.

ERIC Educational Resources Information Center

Mattson, Bruce M.; And Others

1989-01-01

Describes a full day of chemistry fun and competition for high school chemistry students. Notes teams have five students from each high school. Lists five competitive events for each team: titration, qualitative analysis, balancing equations, general chemistry quiz, and quantitative analysis with atomic absorption spectroscopy. (MVL)

Approximate convective heating equations for hypersonic flows

NASA Technical Reports Server (NTRS)

Zoby, E. V.; Moss, J. N.; Sutton, K.

1979-01-01

Laminar and turbulent heating-rate equations appropriate for engineering predictions of the convective heating rates about blunt reentry spacecraft at hypersonic conditions are developed. The approximate methods are applicable to both nonreacting and reacting gas mixtures for either constant or variable-entropy edge conditions. A procedure which accounts for variable-entropy effects and is not based on mass balancing is presented. Results of the approximate heating methods are in good agreement with existing experimental results as well as boundary-layer and viscous-shock-layer solutions.

In vivo stationary flux analysis by 13C labeling experiments.

PubMed

Wiechert, W; de Graaf, A A

1996-01-01

Stationary flux analysis is an invaluable tool for metabolic engineering. In the last years the metabolite balancing technique has become well established in the bioengineering community. On the other hand metabolic tracer experiments using 13C isotopes have long been used for intracellular flux determination. Only recently have both techniques been fully combined to form a considerably more powerful flux analysis method. This paper concentrates on modeling and data analysis for the evaluation of such stationary 13C labeling experiments. After reviewing recent experimental developments, the basic equations for modeling carbon labeling in metabolic systems, i.e. metabolite, carbon label and isotopomer balances, are introduced and discussed in some detail. Then the basics of flux estimation from measured extracellular fluxes combined with carbon labeling data are presented and, finally, this method is illustrated by using an example from C. glutamicum. The main emphasis is on the investigation of the extra information that can be obtained with tracer experiments compared with the metabolite balancing technique alone. As a principal result it is shown that the combined flux analysis method can dispense with some rather doubtful assumptions on energy balancing and that the forward and backward flux rates of bidirectional reaction steps can be simultaneously determined in certain situations. Finally, it is demonstrated that the variant of fractional isotopomer measurement is even more powerful than fractional labeling measurement but requires much higher numerical effort to solve the balance equations.

Development and application of a unified balancing approach with multiple constraints

NASA Technical Reports Server (NTRS)

Zorzi, E. S.; Lee, C. C.; Giordano, J. C.

1985-01-01

The development of a general analytic approach to constrained balancing that is consistent with past influence coefficient methods is described. The approach uses Lagrange multipliers to impose orbit and/or weight constraints; these constraints are combined with the least squares minimization process to provide a set of coupled equations that result in a single solution form for determining correction weights. Proper selection of constraints results in the capability to: (1) balance higher speeds without disturbing previously balanced modes, thru the use of modal trial weight sets; (2) balance off-critical speeds; and (3) balance decoupled modes by use of a single balance plane. If no constraints are imposed, this solution form reduces to the general weighted least squares influence coefficient method. A test facility used to examine the use of the general constrained balancing procedure and application of modal trial weight ratios is also described.

Biomechanical basis of choosing the rational mass and its distribution throughout the lower limb prosthesis segments.

PubMed

Farber, B S; Moreinis, I Sh

1995-11-01

A solution for finding a rational distribution of mass in lower limb prostheses has been considered based on the formal premise favoring the identification of the movements of a prosthetic and an intact leg. For the purpose of simplicity, and analysis has been carried out for only the swing phase, the data about the properties of moving segments being determined without integrating differential equations of motion. At the formation of equations of motion, an assumption that body segments are absolutely rigid and have constant moments of inertia and locations of the center of mass was taken into consideration. Based on independent proportions formed of combinations of the coefficients of equations of motion, a system of three equations has been formulated and solved in relation to the mass values sought: a static radius and a radius of inertia of the prosthesis complex link "shin + foot + footwear." From the six unknowns included in the equations, three values are chosen as mean values determined empirically. The solution of obtained equations results in the following conclusions: the parameters of the mass distribution in a "shin + foot + footwear" complex link depend on the amputation level and the patient's mass. These data, reported in appropriate tables, may be used in prosthetics practice. Recommendations have also been presented with regard to a prosthesic mass relative to the age of the person with amputation and a method of a balancing of prostheses aimed at the achievement of a rational distribution of masses. The analysis of obtained equations has also allowed us to make recommendations about the artificial foot mass. It has been concluded that a reasonable desire to reduce the mass of the prosthetic segments is not an end in itself, but is only the means of a rational distribution by means of balancing. It has been proved that rational prosthetic fitting results in decreased energy costs and overloads are decreased and a normalized gait.

Rheodynamic model of cardiac pressure pulsations.

PubMed

Petrov, V G; Nikolov, S G

1999-03-15

To analyse parametrically (in terms of the qualitative theory of dynamical systems) the mechanical influence of inertia, resistance (positive and negative), elasticity and other global properties of the heart-muscle on the left ventricular pressure, an active rheodynamic model based on the Newtons's principles is proposed. The equation of motion of the heart mass centre is derived from an energy conservation law balancing the rate of mechanical (kinetic and potential) energy variation and the power of chemical energy influx and dissipative energy outflux. A corresponding dynamical system of two ordinary differential equations is obtained and parametrically analysed in physiological conditions. As a result, the following main conclusion is made: in physiological norm, because of the heart electrical activity, its equilibrium state is unstable and around it, mechanical self-oscillations emerge. In case the electrical activity ceases, an inverse phase reconstruction occurs during which the unstable equilibrium state of the system becomes stable and the self-oscillations disappear.

Balancing Beams--For a Few Moments

ERIC Educational Resources Information Center

Kibble, Bob

2008-01-01

A 2 m long wooden beam provides an ideal demonstration tool for exploring moments. A class set is cheap and can be used at introductory and advanced levels. This article explores how such beams can be used to support learning about moments, equilibrium, vectors, and simultaneous equations. (Contains 7 figures.)

Bidirectional reaction steps in metabolic networks: I. Modeling and simulation of carbon isotope labeling experiments.

PubMed

Wiechert, W; de Graaf, A A

1997-07-05

The extension of metabolite balancing with carbon labeling experiments, as described by Marx et al. (Biotechnol. Bioeng. 49: 11-29), results in a much more detailed stationary metabolic flux analysis. As opposed to basic metabolite flux balancing alone, this method enables both flux directions of bidirectional reaction steps to be quantitated. However, the mathematical treatment of carbon labeling systems is much more complicated, because it requires the solution of numerous balance equations that are bilinear with respect to fluxes and fractional labeling. In this study, a universal modeling framework is presented for describing the metabolite and carbon atom flux in a metabolic network. Bidirectional reaction steps are extensively treated and their impact on the system's labeling state is investigated. Various kinds of modeling assumptions, as usually made for metabolic fluxes, are expressed by linear constraint equations. A numerical algorithm for the solution of the resulting linear constrained set of nonlinear equations is developed. The numerical stability problems caused by large bidirectional fluxes are solved by a specially developed transformation method. Finally, the simulation of carbon labeling experiments is facilitated by a flexible software tool for network synthesis. An illustrative simulation study on flux identifiability from available flux and labeling measurements in the cyclic pentose phosphate pathway of a recombinant strain of Zymomonas mobilis concludes this contribution.

Study of travelling wave solutions for some special-type nonlinear evolution equations

NASA Astrophysics Data System (ADS)

Song, Junquan; Hu, Lan; Shen, Shoufeng; Ma, Wen-Xiu

2018-07-01

The tanh-function expansion method has been improved and used to construct travelling wave solutions of the form U={\\sum }j=0n{a}j{\\tanh }jξ for some special-type nonlinear evolution equations, which have a variety of physical applications. The positive integer n can be determined by balancing the highest order linear term with the nonlinear term in the evolution equations. We improve the tanh-function expansion method with n = 0 by introducing a new transform U=-W\\prime (ξ )/{W}2. A nonlinear wave equation with source terms, and mKdV-type equations, are considered in order to show the effectiveness of the improved scheme. We also propose the tanh-function expansion method of implicit function form, and apply it to a Harry Dym-type equation as an example.

A class of traveling wave solutions for space-time fractional biological population model in mathematical physics

NASA Astrophysics Data System (ADS)

Akram, Ghazala; Batool, Fiza

2017-10-01

The (G'/G)-expansion method is utilized for a reliable treatment of space-time fractional biological population model. The method has been applied in the sense of the Jumarie's modified Riemann-Liouville derivative. Three classes of exact traveling wave solutions, hyperbolic, trigonometric and rational solutions of the associated equation are characterized with some free parameters. A generalized fractional complex transform is applied to convert the fractional equations to ordinary differential equations which subsequently resulted in number of exact solutions. It should be mentioned that the (G'/G)-expansion method is very effective and convenient for solving nonlinear partial differential equations of fractional order whose balancing number is a negative integer.

Parallel discontinuous Galerkin FEM for computing hyperbolic conservation law on unstructured grids

NASA Astrophysics Data System (ADS)

Ma, Xinrong; Duan, Zhijian

2018-04-01

High-order resolution Discontinuous Galerkin finite element methods (DGFEM) has been known as a good method for solving Euler equations and Navier-Stokes equations on unstructured grid, but it costs too much computational resources. An efficient parallel algorithm was presented for solving the compressible Euler equations. Moreover, the multigrid strategy based on three-stage three-order TVD Runge-Kutta scheme was used in order to improve the computational efficiency of DGFEM and accelerate the convergence of the solution of unsteady compressible Euler equations. In order to make each processor maintain load balancing, the domain decomposition method was employed. Numerical experiment performed for the inviscid transonic flow fluid problems around NACA0012 airfoil and M6 wing. The results indicated that our parallel algorithm can improve acceleration and efficiency significantly, which is suitable for calculating the complex flow fluid.

Linear constraint relations in biochemical reaction systems: I. Classification of the calculability and the balanceability of conversion rates.

PubMed

van der Heijden, R T; Heijnen, J J; Hellinga, C; Romein, B; Luyben, K C

1994-01-05

Measurements provide the basis for process monitoring and control as well as for model development and validation. Systematic approaches to increase the accuracy and credibility of the empirical data set are therefore of great value. In (bio)chemical conversions, linear conservation relations such as the balance equations for charge, enthalpy, and/or chemical elements, can be employed to relate conversion rates. In a pactical situation, some of these rates will be measured (in effect, be calculated directly from primary measurements of, e.g., concentrations and flow rates), as others can or cannot be calculated from the measured ones. When certain measured rates can also be calculated from other measured rates, the set of equations, the accuracy and credibility of the measured rates can indeed be improved by, respectively, balancing and gross error diagnosis. The balanced conversion rates are more accurate, and form a consistent set of data, which is more suitable for further application (e.g., to calculate nonmeasured rates) than the raw measurements. Such an approach has drawn attention in previous studies. The current study deals mainly with the problem of mathematically classifying the conversion rates into balanceable and calculable rates, given the subset of measured rates. The significance of this problem is illustrated with some examples. It is shown that a simple matrix equation can be derived that contains the vector of measured conversion rates and the redundancy matrix R. Matrix R plays a predominant role in the classification problem. In supplementary articles, significance of the redundancy matrix R for an improved gross error diagnosis approach will be shown. In addition, efficient equations have been derived to calculate the balanceable and/or calculable rates. The method is completely based on matrix algebra (principally different from the graph-theoretical approach), and it is easily implemented into a computer program. (c) 1994 John Wiley & Sons, Inc.

A modified Dodge algorithm for the parabolized Navier-Stokes equations and compressible duct flows

NASA Technical Reports Server (NTRS)

Cooke, C. H.; Dwoyer, D. M.

1983-01-01

A revised version of Dodge's split-velocity method for numerical calculation of compressible duct flow was developed. The revision incorporates balancing of mass flow rates on each marching step in order to maintain front-to-back continuity during the calculation. The (checkerboard) zebra algorithm is applied to solution of the three dimensional continuity equation in conservative form. A second-order A-stable linear multistep method is employed in effecting a marching solution of the parabolized momentum equations. A checkerboard iteration is used to solve the resulting implicit nonlinear systems of finite-difference equations which govern stepwise transition. Qualitative agreement with analytical predictions and experimental results was obtained for some flows with well-known solutions. Previously announced in STAR as N82-16363

Predicting ad libitum dry matter intake and yields of Jersey cows.

PubMed

Holter, J B; West, J W; McGilliard, M L; Pell, A N

1996-05-01

Two data files were used that contained weekly mean values for ad libitum DMI of lactating Jersey cows along with appropriate cow, ration, and environmental traits for predicting DMI. One data file (n = 666) was used to develop prediction equations for DMI because that file represented a number of separate experiments and contained more diversity in potential predictors, especially those related to ration, such as forage type. The other data file (n = 1613) was used primarily to verify these equations. Milk protein yield displaced 4% FCM output as a prediction variable and improved the R2 by several units but was not used in the final equations, however, for the sake of simplicity. All equations contained adjustments for the effects of heat stress, parity (1 vs. > 1), DIM > 15, BW, use of recombinant bST, and other significant independent variables. Equations were developed to predict DMI of cows fed individually or in groups and to predict daily yields of 4% FCM and milk protein; equations accounted for 0.69, 0.74, 0.81, and 0.76 of the variation in the dependent variables with standard deviations of 1.7, 1.6, 2.7, and 0.084 kg/ d, respectively. These equations should be applied to the development of software for computerized dairy ration balancing.

Adaptive mesh refinement and load balancing based on multi-level block-structured Cartesian mesh

NASA Astrophysics Data System (ADS)

Misaka, Takashi; Sasaki, Daisuke; Obayashi, Shigeru

2017-11-01

We developed a framework for a distributed-memory parallel computer that enables dynamic data management for adaptive mesh refinement and load balancing. We employed simple data structure of the building cube method (BCM) where a computational domain is divided into multi-level cubic domains and each cube has the same number of grid points inside, realising a multi-level block-structured Cartesian mesh. Solution adaptive mesh refinement, which works efficiently with the help of the dynamic load balancing, was implemented by dividing cubes based on mesh refinement criteria. The framework was investigated with the Laplace equation in terms of adaptive mesh refinement, load balancing and the parallel efficiency. It was then applied to the incompressible Navier-Stokes equations to simulate a turbulent flow around a sphere. We considered wall-adaptive cube refinement where a non-dimensional wall distance y+ near the sphere is used for a criterion of mesh refinement. The result showed the load imbalance due to y+ adaptive mesh refinement was corrected by the present approach. To utilise the BCM framework more effectively, we also tested a cube-wise algorithm switching where an explicit and implicit time integration schemes are switched depending on the local Courant-Friedrichs-Lewy (CFL) condition in each cube.

Multidisciplinary Thermal Analysis of Hot Aerospace Structures

DTIC Science & Technology

2010-05-02

Seidel iteration. Such a strategy simplifies explicit/implicit treatment , subcycling, load balancing, software modularity, and replacements as better... Stefan -Boltzmann constant , E is the emissivity of the surface, f is the form factor from the surface to the reference surface, Br is the temperature of...Stokes equations using Gauss- Seidel line Relaxation, Computers and Fluids, 17, pp.l35-150, 1989. [22] Hung C.M. and MacCormack R.W., Numerical

Nanoscale Charge-Balancing Mechanism in Alkali-Substituted Calcium-Silicate-Hydrate Gels.

PubMed

Özçelik, V Ongun; White, Claire E

2016-12-15

Alkali-activated materials and related alternative cementitious systems are sustainable technologies that have the potential to substantially lower the CO 2 emissions associated with the construction industry. However, these systems have augmented chemical compositions as compared to ordinary Portland cement (OPC), which may impact the evolution of the hydrate phases. In particular, calcium-silicate-hydrate (C-S-H) gel, the main hydrate phase in OPC, is likely to be altered at the atomic scale due to changes in the bulk chemical composition, specifically via the addition of alkalis (i.e., Na or K) and aluminum. Here, via density functional theory calculations, we reveal the presence of a charge balancing mechanism at the molecular level in C-S-H gel (as modeled using crystalline 14 Å tobermorite) when alkalis and aluminum atoms are introduced into the structure. Different structural representations are obtained depending on the level of substitution and the degree of charge balancing incorporated in the structures. The impact of these substitutional and charge balancing effects on the structures is assessed by analyzing the formation energies, local bonding environments, diffusion barriers and mechanical properties. The results of this computational study provide information on the phase stability of alkali/aluminum containing C-S-H gels, shedding light on the fundamental atomic level mechanisms that play a crucial role in these complex disordered materials.

More on Chemical Reaction Balancing.

ERIC Educational Resources Information Center

Swinehart, D. F.

1985-01-01

A previous article stated that only the matrix method was powerful enough to balance a particular chemical equation. Shows how this equation can be balanced without using the matrix method. The approach taken involves writing partial mathematical reactions and redox half-reactions, and combining them to yield the final balanced reaction. (JN)

A modified Dodge algorithm for the parabolized Navier-Stokes equations and compressible duct flows

NASA Technical Reports Server (NTRS)

Cooke, C. H.; Dwoyer, D. M.

1983-01-01

A revised version of Dodge's split-velocity method for numerical calculation of compressible duct flow has been developed. The revision incorporates balancing of massflow rates on each marching step in order to maintain front-to-back continuity during the calculation. Qualitative agreement with analytical predictions and experimental results has been obtained for some flows with well-known solutions.

Three-phase Power Flow Calculation of Low Voltage Distribution Network Considering Characteristics of Residents Load

NASA Astrophysics Data System (ADS)

Wang, Yaping; Lin, Shunjiang; Yang, Zhibin

2017-05-01

In the traditional three-phase power flow calculation of the low voltage distribution network, the load model is described as constant power. Since this model cannot reflect the characteristics of actual loads, the result of the traditional calculation is always different from the actual situation. In this paper, the load model in which dynamic load represented by air conditioners parallel with static load represented by lighting loads is used to describe characteristics of residents load, and the three-phase power flow calculation model is proposed. The power flow calculation model includes the power balance equations of three-phase (A,B,C), the current balance equations of phase 0, and the torque balancing equations of induction motors in air conditioners. And then an alternating iterative algorithm of induction motor torque balance equations with each node balance equations is proposed to solve the three-phase power flow model. This method is applied to an actual low voltage distribution network of residents load, and by the calculation of three different operating states of air conditioners, the result demonstrates the effectiveness of the proposed model and the algorithm.

A hybrid agent-based approach for modeling microbiological systems.

PubMed

Guo, Zaiyi; Sloot, Peter M A; Tay, Joc Cing

2008-11-21

Models for systems biology commonly adopt Differential Equations or Agent-Based modeling approaches for simulating the processes as a whole. Models based on differential equations presuppose phenomenological intracellular behavioral mechanisms, while models based on Multi-Agent approach often use directly translated, and quantitatively less precise if-then logical rule constructs. We propose an extendible systems model based on a hybrid agent-based approach where biological cells are modeled as individuals (agents) while molecules are represented by quantities. This hybridization in entity representation entails a combined modeling strategy with agent-based behavioral rules and differential equations, thereby balancing the requirements of extendible model granularity with computational tractability. We demonstrate the efficacy of this approach with models of chemotaxis involving an assay of 10(3) cells and 1.2x10(6) molecules. The model produces cell migration patterns that are comparable to laboratory observations.

The mechanical and chemical equations of motion of muscle contraction

NASA Astrophysics Data System (ADS)

Shiner, J. S.; Sieniutycz, Stanislaw

1997-11-01

Up to now no formulation of muscle contraction has provided both the chemical kinetic equations for the reactions responsible for the contraction and the mechanical equation of motion for the muscle. This has most likely been due to the lack of general formalisms for nonlinear systems with chemical-nonchemical coupling valid under the far from equilibrium conditions under which muscle operates physiologically. We have recently developed such formalisms and apply them here to the formulation of muscle contraction to obtain both the chemical and the mechanical equations. The standard formulation up to now has yielded only the dynamic equations for the chemical variables and has considered these to be functions of both time and an appropriate mechanical variable. The macroscopically observable quantities were then obtained by averaging over the mechanical variable. When attempting to derive the dynamics equations for both the chemistry and mechanics this choice of variables leads to conflicting results for the mechanical equation of motion when two different general formalisms are applied. The conflict can be resolved by choosing the variables such that both the chemical variables and the mechanical variables are considered to be functions of time alone. This adds one equation to the set of differential equations to be solved but is actually a simplification of the problem, since these equations are ordinary differential equations, not the partial differential equations of the now standard formulation, and since in this choice of variables the variables themselves are the macroscopic observables the procedure of averaging over the mechanical variable is eliminated. Furthermore, the parameters occurring in the equations at this level of description should be accessible to direct experimental determination.

Plant management in natural areas: balancing chemical, mechanical, and cultural control methods

Treesearch

Steven Manning; James Miller

2011-01-01

After determining the best course of action for control of an invasive plant population, it is important to understand the variety of methods available to the integrated pest management professional. A variety of methods are now widely used in managing invasive plants in natural areas, including chemical, mechanical, and cultural control methods. Once the preferred...

Range expansion of heterogeneous populations.

PubMed

Reiter, Matthias; Rulands, Steffen; Frey, Erwin

2014-04-11

Risk spreading in bacterial populations is generally regarded as a strategy to maximize survival. Here, we study its role during range expansion of a genetically diverse population where growth and motility are two alternative traits. We find that during the initial expansion phase fast-growing cells do have a selective advantage. By contrast, asymptotically, generalists balancing motility and reproduction are evolutionarily most successful. These findings are rationalized by a set of coupled Fisher equations complemented by stochastic simulations.

An effective rate equation approach to reaction kinetics in small volumes: theory and application to biochemical reactions in nonequilibrium steady-state conditions.

PubMed

Grima, R

2010-07-21

Chemical master equations provide a mathematical description of stochastic reaction kinetics in well-mixed conditions. They are a valid description over length scales that are larger than the reactive mean free path and thus describe kinetics in compartments of mesoscopic and macroscopic dimensions. The trajectories of the stochastic chemical processes described by the master equation can be ensemble-averaged to obtain the average number density of chemical species, i.e., the true concentration, at any spatial scale of interest. For macroscopic volumes, the true concentration is very well approximated by the solution of the corresponding deterministic and macroscopic rate equations, i.e., the macroscopic concentration. However, this equivalence breaks down for mesoscopic volumes. These deviations are particularly significant for open systems and cannot be calculated via the Fokker-Planck or linear-noise approximations of the master equation. We utilize the system-size expansion including terms of the order of Omega(-1/2) to derive a set of differential equations whose solution approximates the true concentration as given by the master equation. These equations are valid in any open or closed chemical reaction network and at both the mesoscopic and macroscopic scales. In the limit of large volumes, the effective mesoscopic rate equations become precisely equal to the conventional macroscopic rate equations. We compare the three formalisms of effective mesoscopic rate equations, conventional rate equations, and chemical master equations by applying them to several biochemical reaction systems (homodimeric and heterodimeric protein-protein interactions, series of sequential enzyme reactions, and positive feedback loops) in nonequilibrium steady-state conditions. In all cases, we find that the effective mesoscopic rate equations can predict very well the true concentration of a chemical species. This provides a useful method by which one can quickly determine the regions of parameter space in which there are maximum differences between the solutions of the master equation and the corresponding rate equations. We show that these differences depend sensitively on the Fano factors and on the inherent structure and topology of the chemical network. The theory of effective mesoscopic rate equations generalizes the conventional rate equations of physical chemistry to describe kinetics in systems of mesoscopic size such as biological cells.

Nonlinear performance of asymmetric coupler based on dual-core photonic crystal fiber: Towards sub-nanojoule solitonic ultrafast all-optical switching

NASA Astrophysics Data System (ADS)

Curilla, L.; Astrauskas, I.; Pugzlys, A.; Stajanca, P.; Pysz, D.; Uherek, F.; Baltuska, A.; Bugar, I.

2018-05-01

We demonstrate ultrafast soliton-based nonlinear balancing of dual-core asymmetry in highly nonlinear photonic crystal fiber at sub-nanojoule pulse energy level. The effect of fiber asymmetry was studied experimentally by selective excitation and monitoring of individual fiber cores at different wavelengths between 1500 nm and 1800 nm. Higher energy transfer rate to non-excited core was observed in the case of fast core excitation due to nonlinear asymmetry balancing of temporal solitons, which was confirmed by the dedicated numerical simulations based on the coupled generalized nonlinear Schrödinger equations. Moreover, the simulation results correspond qualitatively with the experimentally acquired dependences of the output dual-core extinction ratio on excitation energy and wavelength. In the case of 1800 nm fast core excitation, narrow band spectral intensity switching between the output channels was registered with contrast of 23 dB. The switching was achieved by the change of the excitation pulse energy in sub-nanojoule region. The performed detailed analysis of the nonlinear balancing of dual-core asymmetry in solitonic propagation regime opens new perspectives for the development of ultrafast nonlinear all-optical switching devices.

A reaction-based paradigm to model reactive chemical transport in groundwater with general kinetic and equilibrium reactions.

PubMed

Zhang, Fan; Yeh, Gour-Tsyh; Parker, Jack C; Brooks, Scott C; Pace, Molly N; Kim, Young-Jin; Jardine, Philip M; Watson, David B

2007-06-16

This paper presents a reaction-based water quality transport model in subsurface flow systems. Transport of chemical species with a variety of chemical and physical processes is mathematically described by M partial differential equations (PDEs). Decomposition via Gauss-Jordan column reduction of the reaction network transforms M species reactive transport equations into two sets of equations: a set of thermodynamic equilibrium equations representing N(E) equilibrium reactions and a set of reactive transport equations of M-N(E) kinetic-variables involving no equilibrium reactions (a kinetic-variable is a linear combination of species). The elimination of equilibrium reactions from reactive transport equations allows robust and efficient numerical integration. The model solves the PDEs of kinetic-variables rather than individual chemical species, which reduces the number of reactive transport equations and simplifies the reaction terms in the equations. A variety of numerical methods are investigated for solving the coupled transport and reaction equations. Simulation comparisons with exact solutions were performed to verify numerical accuracy and assess the effectiveness of various numerical strategies to deal with different application circumstances. Two validation examples involving simulations of uranium transport in soil columns are presented to evaluate the ability of the model to simulate reactive transport with complex reaction networks involving both kinetic and equilibrium reactions.

Microscale Procedure for Inorganic Qualitative Analysis with Emphasis on Writing Equations: Chemical Fingerprinting Applied to the "n"-bottle Problem of Matching Samples with Their Formulas

ERIC Educational Resources Information Center

Sattsangi, Prem D.

2014-01-01

A laboratory method for teaching inorganic qualitative analysis and chemical equations is described. The experiment has been designed to focus attention on cations and anions that react to form products. This leads to a logical approach to understand and write chemical equations. The procedure uses 3 mL plastic micropipettes to store and deliver…

Numerical method of lines for the relaxational dynamics of nematic liquid crystals.

PubMed

Bhattacharjee, A K; Menon, Gautam I; Adhikari, R

2008-08-01

We propose an efficient numerical scheme, based on the method of lines, for solving the Landau-de Gennes equations describing the relaxational dynamics of nematic liquid crystals. Our method is computationally easy to implement, balancing requirements of efficiency and accuracy. We benchmark our method through the study of the following problems: the isotropic-nematic interface, growth of nematic droplets in the isotropic phase, and the kinetics of coarsening following a quench into the nematic phase. Our results, obtained through solutions of the full coarse-grained equations of motion with no approximations, provide a stringent test of the de Gennes ansatz for the isotropic-nematic interface, illustrate the anisotropic character of droplets in the nucleation regime, and validate dynamical scaling in the coarsening regime.

A modified Dodge algorithm for the parabolized Navier-Stokes equation and compressible duct flows

NASA Technical Reports Server (NTRS)

Cooke, C. H.

1981-01-01

A revised version of Dodge's split-velocity method for numerical calculation of compressible duct flow was developed. The revision incorporates balancing of mass flow rates on each marching step in order to maintain front-to-back continuity during the calculation. The (checkerboard) zebra algorithm is applied to solution of the three dimensional continuity equation in conservative form. A second-order A-stable linear multistep method is employed in effecting a marching solution of the parabolized momentum equations. A checkerboard iteration is used to solve the resulting implicit nonlinear systems of finite-difference equations which govern stepwise transition. Qualitive agreement with analytical predictions and experimental results was obtained for some flows with well-known solutions.

Development of a Stiffness-Based Chemistry Load Balancing Scheme, and Optimization of Input/Output and Communication, to Enable Massively Parallel High-Fidelity Internal Combustion Engine Simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kodavasal, Janardhan; Harms, Kevin; Srivastava, Priyesh

A closed-cycle gasoline compression ignition engine simulation near top dead center (TDC) was used to profile the performance of a parallel commercial engine computational fluid dynamics code, as it was scaled on up to 4096 cores of an IBM Blue Gene/Q supercomputer. The test case has 9 million cells near TDC, with a fixed mesh size of 0.15 mm, and was run on configurations ranging from 128 to 4096 cores. Profiling was done for a small duration of 0.11 crank angle degrees near TDC during ignition. Optimization of input/output performance resulted in a significant speedup in reading restart files, andmore » in an over 100-times speedup in writing restart files and files for post-processing. Improvements to communication resulted in a 1400-times speedup in the mesh load balancing operation during initialization, on 4096 cores. An improved, “stiffness-based” algorithm for load balancing chemical kinetics calculations was developed, which results in an over 3-times faster run-time near ignition on 4096 cores relative to the original load balancing scheme. With this improvement to load balancing, the code achieves over 78% scaling efficiency on 2048 cores, and over 65% scaling efficiency on 4096 cores, relative to 256 cores.« less

Intelligent modelling of bioprocesses: a comparison of structured and unstructured approaches.

PubMed

Hodgson, Benjamin J; Taylor, Christopher N; Ushio, Misti; Leigh, J R; Kalganova, Tatiana; Baganz, Frank

2004-12-01

This contribution moves in the direction of answering some general questions about the most effective and useful ways of modelling bioprocesses. We investigate the characteristics of models that are good at extrapolating. We trained three fully predictive models with different representational structures (differential equations, differential equations with inheritance of rates and a network of reactions) on Saccharopolyspora erythraea shake flask fermentation data using genetic programming. The models were then tested on unseen data outside the range of the training data and the resulting performances were compared. It was found that constrained models with mathematical forms analogous to internal mass balancing and stoichiometric relations were superior to flexible unconstrained models, even though no a priori knowledge of this fermentation was used.

Ephemeral penalty functions for contact-impact dynamics

NASA Technical Reports Server (NTRS)

De La Fuente, Horacio M.; Felippa, Carlos A.

1991-01-01

The use of penalty functions to treat a class of structural contact-impact problems is investigated, with emphasis on ones in which the impact phenomena are primarily nondestructive in nature and in which only the gross characterization of the response is required. The dynamic equations of motion are integrated by the difference method. The penalty is represented as an ephemeral fictitious nonlinear spring that is inserted on anticipation of contact. The magnitude and variation of the penalty force is determined through energy balancing considerations. The 'bell shape' of the penalty force function for positive gap was found to be satisfactory, as it depends on only two parameters that can be directly assigned the physical meaning of force and distance. The determination of force law parameters by energy balance worked well. The incorporation of restitution coefficients by the area balancing method yielded excellent results, and no substantial modifications are anticipated. Extensional penalty springs are obviously sufficient for the simple examples treated.

Fundamentals of fluid sealing

NASA Technical Reports Server (NTRS)

Zuk, J.

1976-01-01

The fundamentals of fluid sealing, including seal operating regimes, are discussed and the general fluid-flow equations for fluid sealing are developed. Seal performance parameters such as leakage and power loss are presented. Included in the discussion are the effects of geometry, surface deformations, rotation, and both laminar and turbulent flows. The concept of pressure balancing is presented, as are differences between liquid and gas sealing. Mechanisms of seal surface separation, fundamental friction and wear concepts applicable to seals, seal materials, and pressure-velocity (PV) criteria are discussed.

Physical lumping methods for developing linear reduced models for high speed propulsion systems

NASA Technical Reports Server (NTRS)

Immel, S. M.; Hartley, Tom T.; Deabreu-Garcia, J. Alex

1991-01-01

In gasdynamic systems, information travels in one direction for supersonic flow and in both directions for subsonic flow. A shock occurs at the transition from supersonic to subsonic flow. Thus, to simulate these systems, any simulation method implemented for the quasi-one-dimensional Euler equations must have the ability to capture the shock. In this paper, a technique combining both backward and central differencing is presented. The equations are subsequently linearized about an operating point and formulated into a linear state space model. After proper implementation of the boundary conditions, the model order is reduced from 123 to less than 10 using the Schur method of balancing. Simulations comparing frequency and step response of the reduced order model and the original system models are presented.

19 CFR Appendix B to Part 191 - Sample Formats for Applications for Specific Manufacturing Drawback Rulings

Code of Federal Regulations, 2013 CFR

2013-04-01

.... When applicable, give equations of the chemical reactions. The attachment of a flow chart in addition... measurement of the merchandise used. This loss or gain is caused by atmospheric conditions, chemical reactions... finished article is intended. When applicable, give equations of the chemical reactions. The attachment of...

The chemical (not mechanical) paradigm of thermodynamics of colloid and interface science.

PubMed

Kaptay, George

2018-06-01

In the most influential monograph on colloid and interfacial science by Adamson three fundamental equations of "physical chemistry of surfaces" are identified: the Laplace equation, the Kelvin equation and the Gibbs adsorption equation, with a mechanical definition of surface tension by Young as a starting point. Three of them (Young, Laplace and Kelvin) are called here the "mechanical paradigm". In contrary it is shown here that there is only one fundamental equation of the thermodynamics of colloid and interface science and all the above (and other) equations of this field follow as its derivatives. This equation is due to chemical thermodynamics of Gibbs, called here the "chemical paradigm", leading to the definition of surface tension and to 5 rows of equations (see Graphical abstract). The first row is the general equation for interfacial forces, leading to the Young equation, to the Bakker equation and to the Laplace equation, etc. Although the principally wrong extension of the Laplace equation formally leads to the Kelvin equation, using the chemical paradigm it becomes clear that the Kelvin equation is generally incorrect, although it provides right results in special cases. The second row of equations provides equilibrium shapes and positions of phases, including sessile drops of Young, crystals of Wulff, liquids in capillaries, etc. The third row of equations leads to the size-dependent equations of molar Gibbs energies of nano-phases and chemical potentials of their components; from here the corrected versions of the Kelvin equation and its derivatives (the Gibbs-Thomson equation and the Freundlich-Ostwald equation) are derived, including equations for more complex problems. The fourth row of equations is the nucleation theory of Gibbs, also contradicting the Kelvin equation. The fifth row of equations is the adsorption equation of Gibbs, and also the definition of the partial surface tension, leading to the Butler equation and to its derivatives, including the Langmuir equation and the Szyszkowski equation. Positioning the single fundamental equation of Gibbs into the thermodynamic origin of colloid and interface science leads to a coherent set of correct equations of this field. The same provides the chemical (not mechanical) foundation of the chemical (not mechanical) discipline of colloid and interface science. Copyright © 2018 Elsevier B.V. All rights reserved.

19 CFR Appendix B to Part 191 - Sample Formats for Applications for Specific Manufacturing Drawback Rulings

Code of Federal Regulations, 2011 CFR

2011-04-01

.... When applicable, give equations of the chemical reactions. The attachment of a flow chart in addition... measurement of the merchandise used. This loss or gain is caused by atmospheric conditions, chemical reactions... finished article is intended. When applicable, give equations of the chemical reactions. The attachment of...

19 CFR Appendix B to Part 191 - Sample Formats for Applications for Specific Manufacturing Drawback Rulings

Code of Federal Regulations, 2014 CFR

2014-04-01

.... When applicable, give equations of the chemical reactions. The attachment of a flow chart in addition... measurement of the merchandise used. This loss or gain is caused by atmospheric conditions, chemical reactions... finished article is intended. When applicable, give equations of the chemical reactions. The attachment of...

Parameter Balancing in Kinetic Models of Cell Metabolism†

PubMed Central

2010-01-01

Kinetic modeling of metabolic pathways has become a major field of systems biology. It combines structural information about metabolic pathways with quantitative enzymatic rate laws. Some of the kinetic constants needed for a model could be collected from ever-growing literature and public web resources, but they are often incomplete, incompatible, or simply not available. We address this lack of information by parameter balancing, a method to complete given sets of kinetic constants. Based on Bayesian parameter estimation, it exploits the thermodynamic dependencies among different biochemical quantities to guess realistic model parameters from available kinetic data. Our algorithm accounts for varying measurement conditions in the input data (pH value and temperature). It can process kinetic constants and state-dependent quantities such as metabolite concentrations or chemical potentials, and uses prior distributions and data augmentation to keep the estimated quantities within plausible ranges. An online service and free software for parameter balancing with models provided in SBML format (Systems Biology Markup Language) is accessible at www.semanticsbml.org. We demonstrate its practical use with a small model of the phosphofructokinase reaction and discuss its possible applications and limitations. In the future, parameter balancing could become an important routine step in the kinetic modeling of large metabolic networks. PMID:21038890

Numerical simulation of advective-dispersive multisolute transport with sorption, ion exchange and equilibrium chemistry

USGS Publications Warehouse

Lewis, F.M.; Voss, C.I.; Rubin, Jacob

1986-01-01

A model was developed that can simulate the effect of certain chemical and sorption reactions simultaneously among solutes involved in advective-dispersive transport through porous media. The model is based on a methodology that utilizes physical-chemical relationships in the development of the basic solute mass-balance equations; however, the form of these equations allows their solution to be obtained by methods that do not depend on the chemical processes. The chemical environment is governed by the condition of local chemical equilibrium, and may be defined either by the linear sorption of a single species and two soluble complexation reactions which also involve that species, or binary ion exchange and one complexation reaction involving a common ion. Partial differential equations that describe solute mass balance entirely in the liquid phase are developed for each tenad (a chemical entity whose total mass is independent of the reaction process) in terms of their total dissolved concentration. These equations are solved numerically in two dimensions through the modification of an existing groundwater flow/transport computer code. (Author 's abstract)

Coordinating Procedural and Conceptual Knowledge to Make Sense of Word Equations: Understanding the Complexity of a "Simple" Completion Task at the Learner's Resolution

ERIC Educational Resources Information Center

Taber, Keith S.; Bricheno, Pat

2009-01-01

The present paper discusses the conceptual demands of an apparently straightforward task set to secondary-level students--completing chemical word equations with a single omitted term. Chemical equations are of considerable importance in chemistry, and school students are expected to learn to be able to write and interpret them. However, it is…

Simulating Chemical Kinetics Without Differential Equations: A Quantitative Theory Based on Chemical Pathways.

PubMed

Bai, Shirong; Skodje, Rex T

2017-08-17

A new approach is presented for simulating the time-evolution of chemically reactive systems. This method provides an alternative to conventional modeling of mass-action kinetics that involves solving differential equations for the species concentrations. The method presented here avoids the need to solve the rate equations by switching to a representation based on chemical pathways. In the Sum Over Histories Representation (or SOHR) method, any time-dependent kinetic observable, such as concentration, is written as a linear combination of probabilities for chemical pathways leading to a desired outcome. In this work, an iterative method is introduced that allows the time-dependent pathway probabilities to be generated from a knowledge of the elementary rate coefficients, thus avoiding the pitfalls involved in solving the differential equations of kinetics. The method is successfully applied to the model Lotka-Volterra system and to a realistic H 2 combustion model.

The Valley without Birds.

ERIC Educational Resources Information Center

Breslin, Patrick

1988-01-01

Describes cooperative campaign by central Chilean farmers to reduce use of dangerous chemicals. Describes cooperative's rural extension program targeting misuse of pesticides. Describes concern of chemical danger to local and foreign consumers. Cooperative's effort described as balancing short-term economic gains with long-term health and…

Computer program determines chemical equilibria in complex systems

NASA Technical Reports Server (NTRS)

Gordon, S.; Zeleznik, F. J.

1966-01-01

Computer program numerically solves nonlinear algebraic equations for chemical equilibrium based on iteration equations independent of choice of components. This program calculates theoretical performance for frozen and equilibrium composition during expansion and Chapman-Jouguet flame properties, studies combustion, and designs hardware.

In vivo ultrasound and biometric measurements predict the empty body chemical composition in Nellore cattle.

PubMed

Castilhos, A M; Francisco, C L; Branco, R H; Bonilha, S F M; Mercadante, M E Z; Meirelles, P R L; Pariz, C M; Jorge, A M

2018-05-04

Evaluation of the body chemical composition of beef cattle can only be measured postmortem and those data cannot be used in real production scenarios to adjust nutritional plans. The objective of this study was to develop multiple linear regression equations from in vivo measurements, such as ultrasound parameters [backfat thickness (uBFT, mm), rump fat thickness (uRF, mm), and ribeye area (uLMA, cm2)], shrunk body weight (SBW, kg), age (AG, d), hip height (HH, m), as well as from postmortem measurements (composition of the 9th to 11th rib section) to predict the empty body and carcass chemical composition for Nellore cattle. Thirty-three young bulls were used (339 ± 36.15 kg and 448 ± 17.78 d for initial weight and age, respectively). Empty body chemical composition (protein, fat, water, and ash in kg) was obtained by combining noncarcass and carcass components. Data were analyzed using the PROC REG procedure of SAS software. Mallows' Cp values were close to the ideal value of number of independent variables in the prediction equations plus one. Equations to predict chemical components of both empty body and carcass using in vivo measurements presented higher R2 values than those determined by postmortem measurements. Chemical composition of the empty body using in vivo measurements was predicted with R2 > 0.73. Equations to predict chemical composition of the carcass from in vivo measurements showed R2 lower (R2< 0.68) than observed for empty body, except for the water (R2 = 0.84). The independent variables SBW, uRF, and AG were sufficient to predict the fat, water, energy components of the empty body, whereas for estimation of protein content the uRF, HH, and SBW were satisfactory. For the calculation of the ash, the SBW variable in the equation was sufficient. Chemical compounds from components of the empty body of Nellore cattle can be calculated by the following equations: protein (kg) = 47.92 + 0.18 × SBW - 1.46 × uRF - 30.72 × HH (R2 = 0.94, RMSPE = 1.79); fat (kg) = 11.33 + 0.16 × SBW + 2.09 × uRF - 0.06 × AG (R2 = 0.74, RMSPE = 4.18); water (kg) = - 34.00 + 0.55 × SBW + 0.10 × AG - 2.34 × uRF (R2 = 0.96, RMSPE = 5.47). In conclusion, the coefficients of determination (for determining the chemical composition of the empty body) of the equations derived from in vivo measures were higher than those of the equations obtained from rib section measurements taken postmortem, and better than coefficients of determination of the equations to predict the chemical composition of the carcass.

Uses for Free Film Cans

ERIC Educational Resources Information Center

Batoff, Mitchell E.; Harmen, Jerry

1973-01-01

Describes multiple uses of empty film cans for equipping an elementary school science classroom. Instructional units in which film cans may be useful include buoyancy, mobiles, growing seeds, peas and particles, rocks and minerals, structures, field studies, sound, balancing, electricity, pedulums, chemical change, and optics, light, color. (PS)

Balancing a force on the fingertip of a two-dimensional finger model without intrinsic muscles.

PubMed

Spoor, C W

1983-01-01

A slightly flexed human middle finger can balance an external force on the fingertip. Internal stabilization is also possible, which means that the externally unloaded finger can be kept stiff. We want to analyse whether in these situations the intrinsic hand muscles are needed. Distances from tendons to flexion axes are taken from the literature and are substituted in the moment equilibrium equations of a two-dimensional finger model. Diagrams illustrate the statically indeterminate problem of solving tendon forces. The possibilities for equilibrium without intrinsics appear to depend mainly on four tendon-to-joint distances. These distances determine to which of two groups a finger belongs: (1) one in which intrinsics are not necessary for internal stabilization nor for balancing a force on the fingertip in any direction in the sagittal plane; (2) one in which, without intrinsics, internal stabilization is impossible and only dorso-distally directed forces on the fingertip can be balanced.

Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sundararaman, Ravishankar; Goddard, III, William A.; Arias, Tomas A.

First-principles calculations combining density-functional theory and continuum solvation models enable realistic theoretical modeling and design of electrochemical systems. When a reaction proceeds in such systems, the number of electrons in the portion of the system treated quantum mechanically changes continuously, with a balancing charge appearing in the continuum electrolyte. A grand-canonical ensemble of electrons at a chemical potential set by the electrode potential is therefore the ideal description of such systems that directly mimics the experimental condition. We present two distinct algorithms: a self-consistent field method and a direct variational free energy minimization method using auxiliary Hamiltonians (GC-AuxH), to solvemore » the Kohn-Sham equations of electronic density-functional theory directly in the grand canonical ensemble at fixed potential. Both methods substantially improve performance compared to a sequence of conventional fixed-number calculations targeting the desired potential, with the GC-AuxH method additionally exhibiting reliable and smooth exponential convergence of the grand free energy. Lastly, we apply grand-canonical density-functional theory to the under-potential deposition of copper on platinum from chloride-containing electrolytes and show that chloride desorption, not partial copper monolayer formation, is responsible for the second voltammetric peak.« less

Application of balancing methods in modeling the penicillin fermentation.

PubMed

Heijnen, J J; Roels, J A; Stouthamer, A H

1979-12-01

This paper shows the application of elementary balancing methods in combination with simple kinetic equations in the formulation of an unstructured model for the fed-batch process for the production of penicillin. The rate of substrate uptake is modeled with a Monod-type relationship. The specific penicillin production rate is assumed to be a function of growth rate. Hydrolysis of penicillin to penicilloic acid is assumed to be first order in penicillin. In simulations with the present model it is shown that the model, although assuming a strict relationship between specific growth rate and penicillin productivity, allows for the commonly observed lag phase in the penicillin concentration curve and the apparent separation between growth and production phase (idiophase-trophophase concept). Furthermore it is shown that the feed rate profile during fermentation is of vital importance in the realization of a high production rate throughout the duration of the fermentation. It is emphasized that the method of modeling presented may also prove rewarding for an analysis of fermentation processes other than the penicillin fermentation.

Further Development of a New, Flux-Conserving Newton Scheme for the Navier-Stokes Equations

NASA Technical Reports Server (NTRS)

Scott, James R.

1996-01-01

This paper is one of a series of papers describing the development of a new numerical approach for solving the steady Navier-Stokes equations. The key features in the current development are (1) the discrete representation of the dependent variables by way of high order polynomial expansions, (2) the retention of all derivatives in the expansions as unknowns to be explicitly solved for, (3) the automatic balancing of fluxes at cell interfaces, and (4) the discrete simulation of both the integral and differential forms of the governing equations. The main purpose of this paper is, first, to provide a systematic and rigorous derivation of the conditions that are used to simulate the differential form of the Navier-Stokes equations, and second, to extend our previously-presented internal flow scheme to external flows and nonuniform grids. Numerical results are presented for high Reynolds number flow (Re = 100,000) around a finite flat plate, and detailed comparisons are made with the Blasius flat plate solution and Goldstein wake solution. It is shown that the error in the streamwise velocity decreases like r(sup alpha)(Delta)y(exp 2), where alpha approx. 0.25 and r = delta(y)/delta(x) is the grid aspect ratio.

Equivalent model of a dually-fed machine for electric drive control systems

NASA Astrophysics Data System (ADS)

Ostrovlyanchik, I. Yu; Popolzin, I. Yu

2018-05-01

The article shows that the mathematical model of a dually-fed machine is complicated because of the presence of a controlled voltage source in the rotor circuit. As a method of obtaining a mathematical model, the method of a generalized two-phase electric machine is applied and a rotating orthogonal coordinate system is chosen that is associated with the representing vector of a stator current. In the chosen coordinate system in the operator form the differential equations of electric equilibrium for the windings of the generalized machine (the Kirchhoff equation) are written together with the expression for the moment, which determines the electromechanical energy transformation in the machine. Equations are transformed so that they connect the currents of the windings, that determine the moment of the machine, and the voltages on these windings. The structural diagram of the machine is assigned to the written equations. Based on the written equations and accepted assumptions, expressions were obtained for the balancing the EMF of windings, and on the basis of these expressions an equivalent mathematical model of a dually-fed machine is proposed, convenient for use in electric drive control systems.

Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry.

PubMed

Sundararaman, Ravishankar; Goddard, William A; Arias, Tomas A

2017-03-21

First-principles calculations combining density-functional theory and continuum solvation models enable realistic theoretical modeling and design of electrochemical systems. When a reaction proceeds in such systems, the number of electrons in the portion of the system treated quantum mechanically changes continuously, with a balancing charge appearing in the continuum electrolyte. A grand-canonical ensemble of electrons at a chemical potential set by the electrode potential is therefore the ideal description of such systems that directly mimics the experimental condition. We present two distinct algorithms: a self-consistent field method and a direct variational free energy minimization method using auxiliary Hamiltonians (GC-AuxH), to solve the Kohn-Sham equations of electronic density-functional theory directly in the grand canonical ensemble at fixed potential. Both methods substantially improve performance compared to a sequence of conventional fixed-number calculations targeting the desired potential, with the GC-AuxH method additionally exhibiting reliable and smooth exponential convergence of the grand free energy. Finally, we apply grand-canonical density-functional theory to the under-potential deposition of copper on platinum from chloride-containing electrolytes and show that chloride desorption, not partial copper monolayer formation, is responsible for the second voltammetric peak.

Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry

DOE PAGES

Sundararaman, Ravishankar; Goddard, III, William A.; Arias, Tomas A.

2017-03-16

First-principles calculations combining density-functional theory and continuum solvation models enable realistic theoretical modeling and design of electrochemical systems. When a reaction proceeds in such systems, the number of electrons in the portion of the system treated quantum mechanically changes continuously, with a balancing charge appearing in the continuum electrolyte. A grand-canonical ensemble of electrons at a chemical potential set by the electrode potential is therefore the ideal description of such systems that directly mimics the experimental condition. We present two distinct algorithms: a self-consistent field method and a direct variational free energy minimization method using auxiliary Hamiltonians (GC-AuxH), to solvemore » the Kohn-Sham equations of electronic density-functional theory directly in the grand canonical ensemble at fixed potential. Both methods substantially improve performance compared to a sequence of conventional fixed-number calculations targeting the desired potential, with the GC-AuxH method additionally exhibiting reliable and smooth exponential convergence of the grand free energy. Lastly, we apply grand-canonical density-functional theory to the under-potential deposition of copper on platinum from chloride-containing electrolytes and show that chloride desorption, not partial copper monolayer formation, is responsible for the second voltammetric peak.« less

On the mathematical modeling of the Reynolds stress's equations

NASA Technical Reports Server (NTRS)

Lin, Avi

1990-01-01

By considering the Reynolds stress equations as a possible descriptor of complex turbulent fields, pressure-velocity interaction and turbulence dissipation are studied as two of the main physical contributions to Reynolds stress balancing in turbulent flow fields. It is proven that the pressure interaction term contains turbulence generation elements. However, the usual 'return to isotropy' element appears more weakly than in the standard models. In addition, convection-like elements are discovered mathematically, but there is no mathematical evidence that the pressure fluctuations contribute to the turbulent transport mechanism. Calculations of some simple one-dimensional fields indicate that this extra convection, rather than the turbulent transport, is needed mathematically. Similarly, an expression for the turbulence dissipation is developed. The end result is a dynamic equation for the dissipation tensor which is based on the tensorial length scales.

Hypervelocity atmospheric flight: Real gas flow fields

NASA Technical Reports Server (NTRS)

Howe, John T.

1989-01-01

Flight in the atmosphere is examined from the viewpoint of including real gas phenomena in the flow field about a vehicle flying at hypervelocity. That is to say, the flow field is subject not only to compressible phenomena, but is dominated by energetic phenomena. There are several significant features of such a flow field. Spatially, its composition can vary by both chemical and elemental species. The equations which describe the flow field include equations of state and mass, species, elemental, and electric charge continuity; momentum; and energy equations. These are nonlinear, coupled, partial differential equations that have been reduced to a relatively compact set of equations in a self-consistent manner (which allows mass addition at the surface at a rate comparable to the free-stream mass flux). The equations and their inputs allow for transport of these quantities relative to the mass-average behavior of the flow field. Thus transport of mass by chemical, thermal, pressure, and forced diffusion; transport of momentum by viscosity; and transport of energy by conduction, chemical considerations, viscosity, and radiative transfer are included. The last of these complicate the set of equations by making the energy equations a partial integrodifferential equation. Each phenomenon is considered and represented mathematically by one or more developments. The coefficients which pertain are both thermodynamically and chemically dependent. Solutions of the equations are presented and discussed in considerable detail, with emphasis on severe energetic flow fields. Hypervelocity flight in low-density environments where gaseous reactions proceed at finite rates chemical nonequilibrium is considered, and some illustrations are presented. Finally, flight where the flow field may be out of equilibrium, both chemically and thermodynamically, is presented briefly.

Balancing Chemical Reactions With Matrix Methods and Computer Assistance. Applications of Linear Algebra to Chemistry. Modules and Monographs in Undergraduate Mathematics and Its Applications Project. UMAP Unit 339.

ERIC Educational Resources Information Center

Grimaldi, Ralph P.

This material was developed to provide an application of matrix mathematics in chemistry, and to show the concepts of linear independence and dependence in vector spaces of dimensions greater than three in a concrete setting. The techniques presented are not intended to be considered as replacements for such chemical methods as oxidation-reduction…

Application of a metabolic balancing technique to the analysis of microbial fermentation data.

PubMed

de Hollander, J A

1991-01-01

A general method for the development of fermentation models, based on elemental and metabolic balances, is illustrated with three examples from the literature. Physiological parameters such as the (maximal) yield on ATP, the energetic maintenance coefficient, the P/O ratio and others are estimated by fitting model equations to experimental data. Further, phenomenological relations concerning kinetics of product formation and limiting enzyme activities are assessed. The results are compared with the conclusions of the original articles, and differences due to the application of improved models are discussed.

Computer Series, 37: Bits and Pieces, 14.

ERIC Educational Resources Information Center

Moore, John W., Ed.

1983-01-01

Thirteen computer/calculator programs (available from authors) are described. These include: representation of molecules as 3-D models; animated 3-D graphical display of line drawings of molecules; principles of Fourier-transform nuclear magnetic resonance; tutorial program for pH calculation; balancing chemical reactions using a hand-held…

Numerical simulation of hypersonic inlet flows with equilibrium or finite rate chemistry

NASA Technical Reports Server (NTRS)

Yu, Sheng-Tao; Hsieh, Kwang-Chung; Shuen, Jian-Shun; Mcbride, Bonnie J.

1988-01-01

An efficient numerical program incorporated with comprehensive high temperature gas property models has been developed to simulate hypersonic inlet flows. The computer program employs an implicit lower-upper time marching scheme to solve the two-dimensional Navier-Stokes equations with variable thermodynamic and transport properties. Both finite-rate and local-equilibrium approaches are adopted in the chemical reaction model for dissociation and ionization of the inlet air. In the finite rate approach, eleven species equations coupled with fluid dynamic equations are solved simultaneously. In the local-equilibrium approach, instead of solving species equations, an efficient chemical equilibrium package has been developed and incorporated into the flow code to obtain chemical compositions directly. Gas properties for the reaction products species are calculated by methods of statistical mechanics and fit to a polynomial form for C(p). In the present study, since the chemical reaction time is comparable to the flow residence time, the local-equilibrium model underpredicts the temperature in the shock layer. Significant differences of predicted chemical compositions in shock layer between finite rate and local-equilibrium approaches have been observed.

Estimation of chemical carcass composition from 8th rib characteristics with Belgian blue double-muscled bulls.

PubMed

De Campeneere, S; Fiems, L O; Van de Voorde, G; Vanacker, J M; Boucque, C V; Demeyer, D I

1999-01-01

Characteristics from the 8th rib cut: chemical composition, tissue composition after dissection, specific gravity (SG) and m. longissimus thoracis (LT) composition, collected on 17 Belgian Blue double-muscled fattening bulls were used to generate equations for predicting chemical carcass composition. Carcass composition was best predicted from chemical analysis of the 8th rib cut and the empty body weight (EBW) of the bull. Carcass chemical fat content (CCF, kg) was predicted from the 8th rib cut fat content (ether extract, 8RF, kg) by the following regression: CCF=1.94+27.37 8RF (R(2)=0.957, RSD =9.89%). A higher coefficient was found for carcass water (CCW, kg) predicted from 8RF and EBW: CCW=-2.26+0.28 EBW-34.28 8RF (R(2)=0.997, RSD=1.48%). No parameter was found to improve the prediction of CCP from EBW solely: CCP=-0.86+0.08 EBW (R(2) =0.992, RSD=2.61%). Prediction equations based solely on LT composition had low R(2) values of between 0.38 and 0.67, whereas no significant equations were found using SG. However, equations based on EBW had R(2) values between 0.78 and 0.99. Chemical components of the 8th rib cut in combination with EBW are most useful in predicting the chemical composition of the carcass of Belgian-Blue double-muscled bulls.

Regional Screening Levels (RSLs) - Equations

EPA Pesticide Factsheets

Regional Screening Level RSL equations page provides quick access to the equations used in the Chemical Risk Assessment preliminary remediation goal PRG risk based concentration RBC and risk calculator for the assessment of human Health.

Model reduction of multiscale chemical langevin equations: a numerical case study.

PubMed

Sotiropoulos, Vassilios; Contou-Carrere, Marie-Nathalie; Daoutidis, Prodromos; Kaznessis, Yiannis N

2009-01-01

Two very important characteristics of biological reaction networks need to be considered carefully when modeling these systems. First, models must account for the inherent probabilistic nature of systems far from the thermodynamic limit. Often, biological systems cannot be modeled with traditional continuous-deterministic models. Second, models must take into consideration the disparate spectrum of time scales observed in biological phenomena, such as slow transcription events and fast dimerization reactions. In the last decade, significant efforts have been expended on the development of stochastic chemical kinetics models to capture the dynamics of biomolecular systems, and on the development of robust multiscale algorithms, able to handle stiffness. In this paper, the focus is on the dynamics of reaction sets governed by stiff chemical Langevin equations, i.e., stiff stochastic differential equations. These are particularly challenging systems to model, requiring prohibitively small integration step sizes. We describe and illustrate the application of a semianalytical reduction framework for chemical Langevin equations that results in significant gains in computational cost.

Regional Screening Levels (RSLs) - Equations (November 2017 )

EPA Pesticide Factsheets

Regional Screening Level RSL equations page provides quick access to the equations used in the Chemical Risk Assessment preliminary remediation goal PRG risk based concentration RBC and risk calculator for the assessment of human Health.

Hypervelocity atmospheric flight: Real gas flow fields

NASA Technical Reports Server (NTRS)

Howe, John T.

1990-01-01

Flight in the atmosphere is examined from the viewpoint of including real gas phenomena in the flow field about a vehicle flying at hypervelocity. That is to say, the flow field is subject not only to compressible phenomena, but is dominated by energetic phenomena. There are several significant features of such a flow field. Spatially, its composition can vary by both chemical and elemental species. The equations which describe the flow field include equations of state and mass, species, elemental, and electric charge continuity; momentum; and energy equations. These are nonlinear, coupled, partial differential equations that were reduced to a relatively compact set of equations of a self-consistent manner (which allows mass addition at the surface at a rate comparable to the free-stream mass flux). The equations and their inputs allow for transport of these quantities relative to the mass-averaged behavior of the flow field. Thus transport of mass by chemical, thermal, pressure, and forced diffusion; transport of momentum by viscosity; and transport of energy by conduction, chemical considerations, viscosity, and radiative transfer are included. The last of these complicate the set of equations by making the energy equation a partial integrodifferential equation. Each phenomenon is considered and represented mathematically by one or more developments. The coefficients which pertain are both thermodynamically and chemically dependent. Solutions of the equations are presented and discussed in considerable detail, with emphasis on severe energetic flow fields. For hypervelocity flight in low-density environments where gaseous reactions proceed at finite rates, chemical nonequilibrium is considered and some illustrations are presented. Finally, flight where the flow field may be out of equilibrium, both chemically and thermodynamically, is presented briefly.

A Phenomena-Oriented Environment for Teaching Process Modeling: Novel Modeling Software and Its Use in Problem Solving.

ERIC Educational Resources Information Center

Foss, Alan S.; Geurts, Kevin R.; Goodeve, Peter J.; Dahm, Kevin D.; Stephanopoulos, George; Bieszczad, Jerry; Koulouris, Alexandros

1999-01-01

Discusses a program that offers students a phenomenon-oriented environment expressed in the fundamental concepts and language of chemical engineering such as mass and energy balancing, phase equilibria, reaction stoichiometry and rate, modes of heat, and species transport. (CCM)

Adaptive Instructional Aids for Teaching a Blind Student in a Nonmajors College Chemistry Course

ERIC Educational Resources Information Center

Boyd-Kimball, Debra

2012-01-01

Adaptive tools and techniques for lecture instruction were developed for a blind student in a nonmajors college chemistry course. These adaptive instructional aids assisted the student in writing and balancing chemical reactions, calculating unit conversions and concentrations, drawing Lewis dot structures, understanding structural representations…

Modelling and Inverse-Modelling: Experiences with O.D.E. Linear Systems in Engineering Courses

ERIC Educational Resources Information Center

Martinez-Luaces, Victor

2009-01-01

In engineering careers courses, differential equations are widely used to solve problems concerned with modelling. In particular, ordinary differential equations (O.D.E.) linear systems appear regularly in Chemical Engineering, Food Technology Engineering and Environmental Engineering courses, due to the usefulness in modelling chemical kinetics,…

Distributed computing for membrane-based modeling of action potential propagation.

PubMed

Porras, D; Rogers, J M; Smith, W M; Pollard, A E

2000-08-01

Action potential propagation simulations with physiologic membrane currents and macroscopic tissue dimensions are computationally expensive. We, therefore, analyzed distributed computing schemes to reduce execution time in workstation clusters by parallelizing solutions with message passing. Four schemes were considered in two-dimensional monodomain simulations with the Beeler-Reuter membrane equations. Parallel speedups measured with each scheme were compared to theoretical speedups, recognizing the relationship between speedup and code portions that executed serially. A data decomposition scheme based on total ionic current provided the best performance. Analysis of communication latencies in that scheme led to a load-balancing algorithm in which measured speedups at 89 +/- 2% and 75 +/- 8% of theoretical speedups were achieved in homogeneous and heterogeneous clusters of workstations. Speedups in this scheme with the Luo-Rudy dynamic membrane equations exceeded 3.0 with eight distributed workstations. Cluster speedups were comparable to those measured during parallel execution on a shared memory machine.

An integrated biotechnology platform for developing sustainable chemical processes.

PubMed

Barton, Nelson R; Burgard, Anthony P; Burk, Mark J; Crater, Jason S; Osterhout, Robin E; Pharkya, Priti; Steer, Brian A; Sun, Jun; Trawick, John D; Van Dien, Stephen J; Yang, Tae Hoon; Yim, Harry

2015-03-01

Genomatica has established an integrated computational/experimental metabolic engineering platform to design, create, and optimize novel high performance organisms and bioprocesses. Here we present our platform and its use to develop E. coli strains for production of the industrial chemical 1,4-butanediol (BDO) from sugars. A series of examples are given to demonstrate how a rational approach to strain engineering, including carefully designed diagnostic experiments, provided critical insights about pathway bottlenecks, byproducts, expression balancing, and commercial robustness, leading to a superior BDO production strain and process.

Chemical oscillator as a generalized Rayleigh oscillator.

PubMed

Ghosh, Shyamolina; Ray, Deb Shankar

2013-10-28

We derive the conditions under which a set of arbitrary two dimensional autonomous kinetic equations can be reduced to the form of a generalized Rayleigh oscillator which admits of limit cycle solution. This is based on a linear transformation of field variables which can be found by inspection of the kinetic equations. We illustrate the scheme with the help of several chemical and bio-chemical oscillator models to show how they can be cast as a generalized Rayleigh oscillator.

Computer-based analysis of holography using ray tracing.

PubMed

Latta, J N

1971-12-01

The application of a ray-tracing methodology to holography is presented. Emphasis is placed on establishing a very general foundation from which to build a general computer-based implementation. As few restrictions as possible are placed on the recording and reconstruction geometry. The necessary equations are established from the construction and reconstruction parameters of the hologram. The aberrations are defined following H. H. Hopkins, and these aberration specification techniques are compared with those used previously to analyze holography. Representative of the flexibility of the ray-tracing approach, two examples are considered. The first compares the answers between a wavefront matching and the ray-tracing analysis in the case of aberration balancing to compensate for chromatic aberrations. The results are very close and establish the basic utility of aberration balancing. Further indicative of the power of a ray tracing, a thick media analysis is included in the computer programs. This section is then used to perform a study of the effects of hologram emulsion shrinkage and methods for compensation. The results of compensating such holograms are to introduce aberrations, and these are considered in both reflection and transmission holograms.

Optimization of fermentation conditions for alcohol production.

PubMed

Bowman, L; Geiger, E

1984-12-01

The quantitative effects of carbohydrate levels, degree of initial saccharification, glucoamylase dosage, temperature, and fermentation time were investigated using a Box-Wilson central composite design protocol. With Saccharomyces cerevisiae ATCC 4126, it was found that the use of a partially saccharified starch substrate markedly increased yields and attainable alcohol levels. Balancing the degree of initial saccharification with the level of glucoamylase used to complete hydrolysis was found necessary to obtain optimum yields. The temperature optimum was found to be 36 degrees C. The regression equations obtained were used to model the fermentation in order to determine optimum fermentation conditions.

A Simple Analytic Model for Estimating Mars Ascent Vehicle Mass and Performance

NASA Technical Reports Server (NTRS)

Woolley, Ryan C.

2014-01-01

The Mars Ascent Vehicle (MAV) is a crucial component in any sample return campaign. In this paper we present a universal model for a two-stage MAV along with the analytic equations and simple parametric relationships necessary to quickly estimate MAV mass and performance. Ascent trajectories can be modeled as two-burn transfers from the surface with appropriate loss estimations for finite burns, steering, and drag. Minimizing lift-off mass is achieved by balancing optimized staging and an optimized path-to-orbit. This model allows designers to quickly find optimized solutions and to see the effects of design choices.

GCKP84-general chemical kinetics code for gas-phase flow and batch processes including heat transfer effects

NASA Technical Reports Server (NTRS)

Bittker, D. A.; Scullin, V. J.

1984-01-01

A general chemical kinetics code is described for complex, homogeneous ideal gas reactions in any chemical system. The main features of the GCKP84 code are flexibility, convenience, and speed of computation for many different reaction conditions. The code, which replaces the GCKP code published previously, solves numerically the differential equations for complex reaction in a batch system or one dimensional inviscid flow. It also solves numerically the nonlinear algebraic equations describing the well stirred reactor. A new state of the art numerical integration method is used for greatly increased speed in handling systems of stiff differential equations. The theory and the computer program, including details of input preparation and a guide to using the code are given.

Non-equilibrium effects in high temperature chemical reactions

NASA Technical Reports Server (NTRS)

Johnson, Richard E.

1987-01-01

Reaction rate data were collected for chemical reactions occurring at high temperatures during reentry of space vehicles. The principle of detailed balancing is used in modeling kinetics of chemical reactions at high temperatures. Although this principle does not hold for certain transient or incubation times in the initial phase of the reaction, it does seem to be valid for the rates of internal energy transitions that occur within molecules and atoms. That is, for every rate of transition within the internal energy states of atoms or molecules, there is an inverse rate that is related through an equilibrium expression involving the energy difference of the transition.

An efficient, explicit finite-rate algorithm to compute flows in chemical nonequilibrium

NASA Technical Reports Server (NTRS)

Palmer, Grant

1989-01-01

An explicit finite-rate code was developed to compute hypersonic viscous chemically reacting flows about three-dimensional bodies. Equations describing the finite-rate chemical reactions were fully coupled to the gas dynamic equations using a new coupling technique. The new technique maintains stability in the explicit finite-rate formulation while permitting relatively large global time steps.

Wave propagation in a quasi-chemical equilibrium plasma

NASA Technical Reports Server (NTRS)

Fang, T.-M.; Baum, H. R.

1975-01-01

Wave propagation in a quasi-chemical equilibrium plasma is studied. The plasma is infinite and without external fields. The chemical reactions are assumed to result from the ionization and recombination processes. When the gas is near equilibrium, the dominant role describing the evolution of a reacting plasma is played by the global conservation equations. These equations are first derived and then used to study the small amplitude wave motion for a near-equilibrium situation. Nontrivial damping effects have been obtained by including the conduction current terms.

An Analytical Tool to Determine Undergraduate Students' Use of Volume and Pressure when Describing Expansion Work and Technical Work

ERIC Educational Resources Information Center

Nilsson, Tor; Niedderer, Hans

2012-01-01

In undergraduate chemical thermodynamics teachers often include equations and view manipulations of variables as understanding. Undergraduate students are often not able to describe the meaning of these equations. In chemistry, enthalpy and its change are introduced to describe some features of chemical reactions. In the process of measuring heat…

13C tracer experiments and metabolite balancing for metabolic flux analysis: comparing two approaches

PubMed

Schmidt; Marx; de Graaf AA; Wiechert; Sahm; Nielsen; Villadsen

1998-04-05

Conventional metabolic flux analysis uses the information gained from determination of measurable fluxes and a steady-state assumption for intracellular metabolites to calculate the metabolic fluxes in a given metabolic network. The determination of intracellular fluxes depends heavily on the correctness of the assumed stoichiometry including the presence of all reactions with a noticeable impact on the model metabolite balances. Determination of fluxes in complex metabolic networks often requires the inclusion of NADH and NADPH balances, which are subject to controversial debate. Transhydrogenation reactions that transfer reduction equivalents from NADH to NADPH or vice versa can usually not be included in the stoichiometric model, because they result in singularities in the stoichiometric matrix. However, it is the NADPH balance that, to a large extent, determines the calculated flux through the pentose phosphate pathway. Hence, wrong assumptions on the presence or activity of transhydrogenation reactions will result in wrong estimations of the intracellular flux distribution. Using 13C tracer experiments and NMR analysis, flux analysis can be performed on the basis of only well established stoichiometric equations and measurements of the labeling state of intracellular metabolites. Neither NADH/NADPH balancing nor assumptions on energy yields need to be included to determine the intracellular fluxes. Because metabolite balancing methods and the use of 13C labeling measurements are two different approaches to the determination of intracellular fluxes, both methods can be used to verify each other or to discuss the origin and significance of deviations in the results. Flux analysis based entirely on metabolite balancing and flux analysis, including labeling information, have been performed independently for a wild-type strain of Aspergillus oryzae producing alpha-amylase. Two different nitrogen sources, NH4+ and NO3-, have been used to investigate the influence of the NADPH requirements on the intracellular flux distribution. The two different approaches to the calculation of fluxes are compared and deviations in the results are discussed. Copyright 1998 John Wiley & Sons, Inc.

Discovering governing equations from data by sparse identification of nonlinear dynamics

NASA Astrophysics Data System (ADS)

Brunton, Steven

The ability to discover physical laws and governing equations from data is one of humankind's greatest intellectual achievements. A quantitative understanding of dynamic constraints and balances in nature has facilitated rapid development of knowledge and enabled advanced technology, including aircraft, combustion engines, satellites, and electrical power. There are many more critical data-driven problems, such as understanding cognition from neural recordings, inferring patterns in climate, determining stability of financial markets, predicting and suppressing the spread of disease, and controlling turbulence for greener transportation and energy. With abundant data and elusive laws, data-driven discovery of dynamics will continue to play an increasingly important role in these efforts. This work develops a general framework to discover the governing equations underlying a dynamical system simply from data measurements, leveraging advances in sparsity-promoting techniques and machine learning. The resulting models are parsimonious, balancing model complexity with descriptive ability while avoiding overfitting. The only assumption about the structure of the model is that there are only a few important terms that govern the dynamics, so that the equations are sparse in the space of possible functions. This perspective, combining dynamical systems with machine learning and sparse sensing, is explored with the overarching goal of real-time closed-loop feedback control of complex systems. This is joint work with Joshua L. Proctor and J. Nathan Kutz. Video Abstract: https://www.youtube.com/watch?v=gSCa78TIldg

"Balancing Technological and Human Resources Development: A New Priority for Rural America."

ERIC Educational Resources Information Center

Blobaum, Roger

While the adoption of new mechanical and biological-chemical technology has brought revolutionary changes in agricultural production, these changes have also contributed to a decline in employment in many rural industries. There are, however, a number of new technologies, likely to impact on rural areas in the 1980s and beyond, that should level…

Double slip effects of Magnetohydrodynamic (MHD) boundary layer flow over an exponentially stretching sheet with radiation, heat source and chemical reaction

NASA Astrophysics Data System (ADS)

Shaharuz Zaman, Azmanira; Aziz, Ahmad Sukri Abd; Ali, Zaileha Md

2017-09-01

The double slips effect on the magnetohydrodynamic boundary layer flow over an exponentially stretching sheet with suction/blowing, radiation, chemical reaction and heat source is presented in this analysis. By using the similarity transformation, the governing partial differential equations of momentum, energy and concentration are transformed into the non-linear ordinary equations. These equations are solved using Runge-Kutta-Fehlberg method with shooting technique in MAPLE software environment. The effects of the various parameter on the velocity, temperature and concentration profiles are graphically presented and discussed.

A coupled implicit method for chemical non-equilibrium flows at all speeds

NASA Technical Reports Server (NTRS)

Shuen, Jian-Shun; Chen, Kuo-Huey; Choi, Yunho

1993-01-01

The present time-accurate coupled-solution procedure addresses the chemical nonequilibrium Navier-Stokes equations over a wide Mach-number range uses, in conjunction with the strong conservation form of the governing equations, five unknown primitive variables. The numerical tests undertaken address steady convergent-divergent nozzle flows with air dissociation/recombination, dump combustor flows with n-pentane/air chemistry, and unsteady nonreacting cavity flows.

Quick and Easy Rate Equations for Multistep Reactions

ERIC Educational Resources Information Center

Savage, Phillip E.

2008-01-01

Students rarely see closed-form analytical rate equations derived from underlying chemical mechanisms that contain more than a few steps unless restrictive simplifying assumptions (e.g., existence of a rate-determining step) are made. Yet, work published decades ago allows closed-form analytical rate equations to be written quickly and easily for…

Prediction of hydrodynamics and chemistry of confined turbulent methane-air flames with attention to formation of oxides of nitrogen

NASA Technical Reports Server (NTRS)

Elghobashi, S.; Spalding, D. B.; Srivatsa, S. K.

1977-01-01

A formulation of the governing partial differential equations for fluid flow and reacting chemical species in a tubular combustor is presented. A numerical procedure for the solution of the governing differential equations is described, and models for chemical equilibrium and chemical kinetics calculations are presented. The chemical equilibrium model is used to characterize the hydrocarbon reactions. The chemical kinetics model is used to predict the concentrations of the oxides of nitrogen. The combustor consists of a cylindrical duct of varying cross sections with concentric streams of gaseous fuel and air entering the duct at one end. Four sample cases with specified inlet and boundary conditions are considered, and the results are discussed

Efficient implementation of a 3-dimensional ADI method on the iPSC/860

DOE Office of Scientific and Technical Information (OSTI.GOV)

Van der Wijngaart, R.F.

1993-12-31

A comparison is made between several domain decomposition strategies for the solution of three-dimensional partial differential equations on a MIMD distributed memory parallel computer. The grids used are structured, and the numerical algorithm is ADI. Important implementation issues regarding load balancing, storage requirements, network latency, and overlap of computations and communications are discussed. Results of the solution of the three-dimensional heat equation on the Intel iPSC/860 are presented for the three most viable methods. It is found that the Bruno-Cappello decomposition delivers optimal computational speed through an almost complete elimination of processor idle time, while providing good memory efficiency.

The coalescent process in models with selection and recombination.

PubMed

Hudson, R R; Kaplan, N L

1988-11-01

The statistical properties of the process describing the genealogical history of a random sample of genes at a selectively neutral locus which is linked to a locus at which natural selection operates are investigated. It is found that the equations describing this process are simple modifications of the equations describing the process assuming that the two loci are completely linked. Thus, the statistical properties of the genealogical process for a random sample at a neutral locus linked to a locus with selection follow from the results obtained for the selected locus. Sequence data from the alcohol dehydrogenase (Adh) region of Drosophila melanogaster are examined and compared to predictions based on the theory. It is found that the spatial distribution of nucleotide differences between Fast and Slow alleles of Adh is very similar to the spatial distribution predicted if balancing selection operates to maintain the allozyme variation at the Adh locus. The spatial distribution of nucleotide differences between different Slow alleles of Adh do not match the predictions of this simple model very well.

Implicit schemes and parallel computing in unstructured grid CFD

NASA Technical Reports Server (NTRS)

Venkatakrishnam, V.

1995-01-01

The development of implicit schemes for obtaining steady state solutions to the Euler and Navier-Stokes equations on unstructured grids is outlined. Applications are presented that compare the convergence characteristics of various implicit methods. Next, the development of explicit and implicit schemes to compute unsteady flows on unstructured grids is discussed. Next, the issues involved in parallelizing finite volume schemes on unstructured meshes in an MIMD (multiple instruction/multiple data stream) fashion are outlined. Techniques for partitioning unstructured grids among processors and for extracting parallelism in explicit and implicit solvers are discussed. Finally, some dynamic load balancing ideas, which are useful in adaptive transient computations, are presented.

An Analytical Framework for Studying Small-Number Effects in Catalytic Reaction Networks: A Probability Generating Function Approach to Chemical Master Equations

PubMed Central

Nakagawa, Masaki; Togashi, Yuichi

2016-01-01

Cell activities primarily depend on chemical reactions, especially those mediated by enzymes, and this has led to these activities being modeled as catalytic reaction networks. Although deterministic ordinary differential equations of concentrations (rate equations) have been widely used for modeling purposes in the field of systems biology, it has been pointed out that these catalytic reaction networks may behave in a way that is qualitatively different from such deterministic representation when the number of molecules for certain chemical species in the system is small. Apart from this, representing these phenomena by simple binary (on/off) systems that omit the quantities would also not be feasible. As recent experiments have revealed the existence of rare chemical species in cells, the importance of being able to model potential small-number phenomena is being recognized. However, most preceding studies were based on numerical simulations, and theoretical frameworks to analyze these phenomena have not been sufficiently developed. Motivated by the small-number issue, this work aimed to develop an analytical framework for the chemical master equation describing the distributional behavior of catalytic reaction networks. For simplicity, we considered networks consisting of two-body catalytic reactions. We used the probability generating function method to obtain the steady-state solutions of the chemical master equation without specifying the parameters. We obtained the time evolution equations of the first- and second-order moments of concentrations, and the steady-state analytical solution of the chemical master equation under certain conditions. These results led to the rank conservation law, the connecting state to the winner-takes-all state, and analysis of 2-molecules M-species systems. A possible interpretation of the theoretical conclusion for actual biochemical pathways is also discussed. PMID:27047384

Design and implementation of a Y-copter: Aerobatic version

NASA Astrophysics Data System (ADS)

Rahman, S. M. Mahbobur; Mashud, Mohammad; Assad-Uz-Zaman, Md.

2017-06-01

In this present era of globalization, Unmanned Aerial Vehicle (UAV) has become one of the greatest innovations of technology due to its tremendous capability of rendering numerous tasks such as surveillance, data transfer, package delivery, instant medic etc. This paper illustrates the scenario of developing a Vertical Take-Off and Landing (VTOL) Radio Controlled (RC) 3-rotor UAV or on the contrary, a Y-shaped tricopter. A tricopter has two rotors that are spinning in opposite directions but there is a rotor left who produces torque that tries to spin the tricopter. Because of this, a rear servo was used to tilt the rear rotor to compensate this torque in the same manner a helicopter tail rotor does. The advantage of this solution is more yawing agility in comparison to multicopters with even amounts of rotors. KK 2.1.5 LCD board was used as the flight control board in which a host of multirotor craft types were pre-installed. At the heart of the KK 2.1.5 is an Atmel Mega644PA 8-bit AVR RISC-based microcontroller with 64k of memory. Dynamic balancing was adopted for checking the stability by changing the Proportional and Integral limits (PI limits) on the KK board. Depending upon proper balancing and stability, Y-copter can change its flying gesture. The mathematical modelling including the dynamic equations, co-ordination and moment of inertia are illustrated in this paper. Moreover, the flight principle i.e. roll, pitch and yaw controlling mechanisms were also analyzed. At the eleventh hour, some indoor and outdoor flight tests exhibited the gesture of flying but balancing of the Y-copter was a great deal.

Hypersonic three-dimensional nonequilibrium boundary-layer equations in generalized curvilinear coordinates

NASA Technical Reports Server (NTRS)

Lee, Jong-Hun

1993-01-01

The basic governing equations for the second-order three-dimensional hypersonic thermal and chemical nonequilibrium boundary layer are derived by means of an order-of-magnitude analysis. A two-temperature concept is implemented into the system of boundary-layer equations by simplifying the rather complicated general three-temperature thermal gas model. The equations are written in a surface-oriented non-orthogonal curvilinear coordinate system, where two curvilinear coordinates are non-orthogonial and a third coordinate is normal to the surface. The equations are described with minimum use of tensor expressions arising from the coordinate transformation, to avoid unnecessary confusion for readers. The set of equations obtained will be suitable for the development of a three-dimensional nonequilibrium boundary-layer code. Such a code could be used to determine economically the aerodynamic/aerothermodynamic loads to the surfaces of hypersonic vehicles with general configurations. In addition, the basic equations for three-dimensional stagnation flow, of which solution is required as an initial value for space-marching integration of the boundary-layer equations, are given along with the boundary conditions, the boundary-layer parameters, and the inner-outer layer matching procedure. Expressions for the chemical reaction rates and the thermodynamic and transport properties in the thermal nonequilibrium environment are explicitly given.

Estimating the effective rate of fast chemical reactions with turbulent mixing of reactants

NASA Astrophysics Data System (ADS)

Vorotilin, V. P.; Yanovskii, Yu. G.

2015-07-01

On the basis of representation of a turbulent fluid as an aggregation of independent turbulent particles (vortexes), we derive relations for the effective rate of chemical reactions and obtain a closed system of equations describing reactions with turbulent mixing of reactants. A variant of instantaneous reactions is considered that explains the proposed approach simply. In particular, the turbulent mixing events according to this approach are uniquely related to the acts of chemical interaction, which makes it possible to exclude from consideration the mixing of inert impurities-the most difficult point of the theory formulated using classical notions. The obtained system of equations is closed without introducing arbitrarily adopted correlations, by naturally introducing the concept of effective reaction and writing the equations of conservation for both the concentrations of reactants and their volumes.

Incorporation of a Chemical Equilibrium Equation of State into LOCI-Chem

NASA Technical Reports Server (NTRS)

Cox, Carey F.

2005-01-01

Renewed interest in development of advanced high-speed transport, reentry vehicles and propulsion systems has led to a resurgence of research into high speed aerodynamics. As this flow regime is typically dominated by hot reacting gaseous flow, efficient models for the characteristic chemical activity are necessary for accurate and cost effective analysis and design of aerodynamic vehicles that transit this regime. The LOCI-Chem code recently developed by Ed Luke at Mississippi State University for NASA/MSFC and used by NASA/MSFC and SSC represents an important step in providing an accurate, efficient computational tool for the simulation of reacting flows through the use of finite-rate kinetics [3]. Finite rate chemistry however, requires the solution of an additional N-1 species mass conservation equations with source terms involving reaction kinetics that are not fully understood. In the equilibrium limit, where the reaction rates approach infinity, these equations become very stiff. Through the use of the assumption of local chemical equilibrium the set of governing equations is reduced back to the usual gas dynamic equations, and thus requires less computation, while still allowing for the inclusion of reacting flow phenomenology. The incorporation of a chemical equilibrium equation of state module into the LOCI-Chem code was the primary objective of the current research. The major goals of the project were: (1) the development of a chemical equilibrium composition solver, and (2) the incorporation of chemical equilibrium solver into LOCI-Chem. Due to time and resource constraints, code optimization was not considered unless it was important to the proper functioning of the code.

Development and simulation of microfluidic Wheatstone bridge for high-precision sensor

NASA Astrophysics Data System (ADS)

Shipulya, N. D.; Konakov, S. A.; Krzhizhanovskaya, V. V.

2016-08-01

In this work we present the results of analytical modeling and 3D computer simulation of microfluidic Wheatstone bridge, which is used for high-accuracy measurements and precision instruments. We propose and simulate a new method of a bridge balancing process by changing the microchannel geometry. This process is based on the “etching in microchannel” technology we developed earlier (doi:10.1088/1742-6596/681/1/012035). Our method ensures a precise control of the flow rate and flow direction in the bridge microchannel. The advantage of our approach is the ability to work without any control valves and other active electronic systems, which are usually used for bridge balancing. The geometrical configuration of microchannels was selected based on the analytical estimations. A detailed 3D numerical model was based on Navier-Stokes equations for a laminar fluid flow at low Reynolds numbers. We investigated the behavior of the Wheatstone bridge under different process conditions; found a relation between the channel resistance and flow rate through the bridge; and calculated the pressure drop across the system under different total flow rates and viscosities. Finally, we describe a high-precision microfluidic pressure sensor that employs the Wheatstone bridge and discuss other applications in complex precision microfluidic systems.

Development of numerical techniques for simulation of magnetogasdynamics and hypersonic chemistry

NASA Astrophysics Data System (ADS)

Damevin, Henri-Marie

Magnetogasdynamics, the science concerned with the mutual interaction between electromagnetic field and flow of electrically conducting gas, offers promising advances in flow control and propulsion of future hypersonic vehicles. Numerical simulations are essential for understanding phenomena, and for research and development. The current dissertation is devoted to the development and validation of numerical algorithms for the solution of multidimensional magnetogasdynamic equations and the simulation of hypersonic high-temperature effects. Governing equations are derived, based on classical magnetogasdynamic assumptions. Two sets of equations are considered, namely the full equations and equations in the low magnetic Reynolds number approximation. Equations are expressed in a suitable formulation for discretization by finite differences in a computational space. For the full equations, Gauss law for magnetism is enforced using Powell's methodology. The time integration method is a four-stage modified Runge-Kutta scheme, amended with a Total Variation Diminishing model in a postprocessing stage. The eigensystem, required for the Total Variation Diminishing scheme, is derived in generalized three-dimensional coordinate system. For the simulation of hypersonic high-temperature effects, two chemical models are utilized, namely a nonequilibrium model and an equilibrium model. A loosely coupled approach is implemented to communicate between the magnetogasdynamic equations and the chemical models. The nonequilibrium model is a one-temperature, five-species, seventeen-reaction model solved by an implicit flux-vector splitting scheme. The chemical equilibrium model computes thermodynamics properties using curve fit procedures. Selected results are provided, which explore the different features of the numerical algorithms. The shock-capturing properties are validated for shock-tube simulations using numerical solutions reported in the literature. The computations of superfast flows over corners and in convergent channels demonstrate the performances of the algorithm in multiple dimensions. The implementation of diffusion terms is validated by solving the magnetic Rayleigh problem and Hartmann problem, for which analytical solutions are available. Prediction of blunt-body type flow are investigated and compared with numerical solutions reported in the literature. The effectiveness of the chemical models for hypersonic flow over blunt body is examined in various flow conditions. It is shown that the proposed schemes perform well in a variety of test cases, though some limitations have been identified.

Balancing carbon/nitrogen ratio to improve nutrients removal and algal biomass production in piggery and brewery wastewaters.

PubMed

Zheng, Hongli; Liu, Mingzhi; Lu, Qian; Wu, Xiaodan; Ma, Yiwei; Cheng, Yanling; Addy, Min; Liu, Yuhuan; Ruan, Roger

2018-02-01

To improve nutrients removal from wastewaters and enhance algal biomass production, piggery wastewater was mixed with brewery wastewaters. The results showed that it was a promising way to cultivate microalga in piggery and brewery wastewaters by balancing the carbon/nitrogen ratio. The optimal treatment condition for the mixed piggery-brewery wastewater using microalga was piggery wastewater mixed with brewery packaging wastewater by 1:5 at pH 7.0, resulting in carbon/nitrogen ratio of 7.9, with the biomass concentration of 2.85 g L -1 , and the removal of 100% ammonia, 96% of total nitrogen, 90% of total phosphorus, and 93% of chemical oxygen demand. The application of the established strategies can enhance nutrient removal efficiency of the wastewaters while reducing microalgal biomass production costs. Copyright © 2017 Elsevier Ltd. All rights reserved.

Evaluating Students' Conceptual Understanding of Balanced Equations and Stoichiometric Ratios Using a Particulate Drawing

ERIC Educational Resources Information Center

Sanger, Michael J.

2005-01-01

A total of 156 students were asked to provide free-response balanced chemical equations for a classic multiple-choice particulate-drawing question first used by Nurrenbern and Pickering. The balanced equations and the number of students providing each equation are reported in this study. The most common student errors included a confusion between…

Numerical Solution of 3D Poisson-Nernst-Planck Equations Coupled with Classical Density Functional Theory for Modeling Ion and Electron Transport in a Confined Environment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meng, Da; Zheng, Bin; Lin, Guang

2014-08-29

We have developed efficient numerical algorithms for the solution of 3D steady-state Poisson-Nernst-Planck equations (PNP) with excess chemical potentials described by the classical density functional theory (cDFT). The coupled PNP equations are discretized by finite difference scheme and solved iteratively by Gummel method with relaxation. The Nernst-Planck equations are transformed into Laplace equations through the Slotboom transformation. Algebraic multigrid method is then applied to efficiently solve the Poisson equation and the transformed Nernst-Planck equations. A novel strategy for calculating excess chemical potentials through fast Fourier transforms is proposed which reduces computational complexity from O(N2) to O(NlogN) where N is themore » number of grid points. Integrals involving Dirac delta function are evaluated directly by coordinate transformation which yields more accurate result compared to applying numerical quadrature to an approximated delta function. Numerical results for ion and electron transport in solid electrolyte for Li ion batteries are shown to be in good agreement with the experimental data and the results from previous studies.« less

What Is Chemical Stoichiometry?

ERIC Educational Resources Information Center

Smith, William R.; Missen, Ronald W.

1979-01-01

Chemical stoichiometry is discussed free from kinetic or thermodynamic considerations. The means for determining the following are presented: the number of stoichiometric degrees of freedom, the number of components, a permissible set of chemical equations, and a permissible set of components, for a closed system undergoing chemical reaction.…

Prediction of hydrodynamics and chemistry of confined turbulent methane-air frames in a two concentric tube combustor

NASA Technical Reports Server (NTRS)

Markatos, N. C.; Spalding, D. B.; Srivatsa, S. K.

1978-01-01

A formulation of the governing partial differential equations for fluid flow and reacting chemical species in a two-concentric-tube combustor is presented. A numerical procedure for the solution of the governing differential equations is described and models for chemical-equilibrium and chemical-kinetics calculations are presented. The chemical-equilibrium model is used to characterize the hydrocarbon reactions. The chemical-kinetics model is used to predict the concentrations of the oxides of nitrogen. The combustor considered consists of two coaxial ducts. Concentric streams of gaseous fuel and air enter the inlet duct at one end; the flow then reverses and flows out through the outer duct. Two sample cases with specified inlet and boundary conditions are considered and the results are discussed.

Numerical Validation of Chemical Compositional Model for Wettability Alteration Processes

NASA Astrophysics Data System (ADS)

Bekbauov, Bakhbergen; Berdyshev, Abdumauvlen; Baishemirov, Zharasbek; Bau, Domenico

2017-12-01

Chemical compositional simulation of enhanced oil recovery and surfactant enhanced aquifer remediation processes is a complex task that involves solving dozens of equations for all grid blocks representing a reservoir. In the present work, we perform a numerical validation of the newly developed mathematical formulation which satisfies the conservation laws of mass and energy and allows applying a sequential solution approach to solve the governing equations separately and implicitly. Through its application to the numerical experiment using a wettability alteration model and comparisons with existing chemical compositional model's numerical results, the new model has proven to be practical, reliable and stable.

Exact solutions of kinetic equations in an autocatalytic growth model.

PubMed

Jędrak, Jakub

2013-02-01

Kinetic equations are introduced for the transition-metal nanocluster nucleation and growth mechanism, as proposed by Watzky and Finke [J. Am. Chem. Soc. 119, 10382 (1997)]. Equations of this type take the form of Smoluchowski coagulation equations supplemented with the terms responsible for the chemical reactions. In the absence of coagulation, we find complete analytical solutions of the model equations for the autocatalytic rate constant both proportional to the cluster mass, and the mass-independent one. In the former case, ξ(k)=s(k)(ξ(1))[proportionality]ξ(1)(k)/k was obtained, while in the latter, the functional form of s(k)(ξ(1)) is more complicated. In both cases, ξ(1)(t)=h(μ)(M(μ)(t)) is a function of the moments of the mass distribution. Both functions, s(k)(ξ(1)) and h(μ)(M(μ)), depend on the assumed mechanism of autocatalytic growth and monomer production, and not on other chemical reactions present in a system.

QSTR of the toxicity of some organophosphorus compounds by using the quantum chemical and topological descriptors.

PubMed

Senior, Samir A; Madbouly, Magdy D; El massry, Abdel-Moneim

2011-09-01

Quantum chemical and topological descriptors of some organophosphorus compounds (OP) were correlated with their toxicity LD(50) as a dermal. The quantum chemical parameters were obtained using B3LYP/LANL2DZdp-ECP optimization. Using linear regression analysis, equations were derived to calculate the theoretical LD(50) of the studied compounds. The inclusion of quantum parameters, having both charge indices and topological indices, affects the toxicity of the studied compounds resulting in high correlation coefficient factors for the obtained equations. Two of the new four firstly supposed descriptors give higher correlation coefficients namely the Heteroatom Corrected Extended Connectivity Randic index ((1)X(HCEC)) and the Density Randic index ((1)X(Den)). The obtained linear equations were applied to predict the toxicity of some related structures. It was found that the sulfur atoms in these compounds must be replaced by oxygen atoms to achieve improved toxicity. Copyright © 2011 Elsevier Ltd. All rights reserved.

Temporal cross-correlation asymmetry and departure from equilibrium in a bistable chemical system.

PubMed

Bianca, C; Lemarchand, A

2014-06-14

This paper aims at determining sustained reaction fluxes in a nonlinear chemical system driven in a nonequilibrium steady state. The method relies on the computation of cross-correlation functions for the internal fluctuations of chemical species concentrations. By employing Langevin-type equations, we derive approximate analytical formulas for the cross-correlation functions associated with nonlinear dynamics. Kinetic Monte Carlo simulations of the chemical master equation are performed in order to check the validity of the Langevin equations for a bistable chemical system. The two approaches are found in excellent agreement, except for critical parameter values where the bifurcation between monostability and bistability occurs. From the theoretical point of view, the results imply that the behavior of cross-correlation functions cannot be exploited to measure sustained reaction fluxes in a specific nonlinear system without the prior knowledge of the associated chemical mechanism and the rate constants.

Balancing Scientific Publication and National Security Concerns: Issues for Congress

DTIC Science & Technology

2003-01-10

because of its potential relevance to biological weapons of mass destruction. Whether the current method of only using classification to limit the...terrorist groups in developing weapons of mass destruction. In 2000, researchers at the Co-operative Research Centre for the Biological Control of Pest...development of chemical, biological , or nuclear weapons is not made accessible to terrorists or countries of proliferation concern. The resolution

Multiscale Multilevel Approach to Solution of Nanotechnology Problems

NASA Astrophysics Data System (ADS)

Polyakov, Sergey; Podryga, Viktoriia

2018-02-01

The paper is devoted to a multiscale multilevel approach for the solution of nanotechnology problems on supercomputer systems. The approach uses the combination of continuum mechanics models and the Newton dynamics for individual particles. This combination includes three scale levels: macroscopic, mesoscopic and microscopic. For gas-metal technical systems the following models are used. The quasihydrodynamic system of equations is used as a mathematical model at the macrolevel for gas and solid states. The system of Newton equations is used as a mathematical model at the mesoand microlevels; it is written for nanoparticles of the medium and larger particles moving in the medium. The numerical implementation of the approach is based on the method of splitting into physical processes. The quasihydrodynamic equations are solved by the finite volume method on grids of different types. The Newton equations of motion are solved by Verlet integration in each cell of the grid independently or in groups of connected cells. In the framework of the general methodology, four classes of algorithms and methods of their parallelization are provided. The parallelization uses the principles of geometric parallelism and the efficient partitioning of the computational domain. A special dynamic algorithm is used for load balancing the solvers. The testing of the developed approach was made by the example of the nitrogen outflow from a balloon with high pressure to a vacuum chamber through a micronozzle and a microchannel. The obtained results confirm the high efficiency of the developed methodology.

Propagation of intense short laser pulses in the atmosphere.

PubMed

Sprangle, P; Peñano, J R; Hafizi, B

2002-10-01

The propagation of short, intense laser pulses in the atmosphere is investigated theoretically and numerically. A set of three-dimensional (3D), nonlinear propagation equations is derived, which includes the effects of dispersion, nonlinear self-focusing, stimulated molecular Raman scattering, multiphoton and tunneling ionization, energy depletion due to ionization, relativistic focusing, and ponderomotively excited plasma wakefields. The instantaneous frequency spread along a laser pulse in air, which develops due to various nonlinear effects, is analyzed and discussed. Coupled equations for the power, spot size, and electron density are derived for an intense ionizing laser pulse. From these equations we obtain an equilibrium for a single optical-plasma filament, which involves a balancing between diffraction, nonlinear self-focusing, and plasma defocusing. The equilibrium is shown to require a specific distribution of power along the filament. It is found that in the presence of ionization a self-guided optical filament is not realizable. A method for generating a remote spark in the atmosphere is proposed, which utilizes the dispersive and nonlinear properties of air to cause a low-intensity chirped laser pulse to compress both longitudinally and transversely. For optimally chosen parameters, we find that the transverse and longitudinal focal lengths can be made to coincide, resulting in rapid intensity increase, ionization, and white light generation in a localized region far from the source. Coupled equations for the laser spot size and pulse duration are derived, which can describe the focusing and compression process in the low-intensity regime. More general examples involving beam focusing, compression, ionization, and white light generation near the focal region are studied by numerically solving the full set of 3D, nonlinear propagation equations.

A new computational method for reacting hypersonic flows

NASA Astrophysics Data System (ADS)

Niculescu, M. L.; Cojocaru, M. G.; Pricop, M. V.; Fadgyas, M. C.; Pepelea, D.; Stoican, M. G.

2017-07-01

Hypersonic gas dynamics computations are challenging due to the difficulties to have reliable and robust chemistry models that are usually added to Navier-Stokes equations. From the numerical point of view, it is very difficult to integrate together Navier-Stokes equations and chemistry model equations because these partial differential equations have different specific time scales. For these reasons, almost all known finite volume methods fail shortly to solve this second order partial differential system. Unfortunately, the heating of Earth reentry vehicles such as space shuttles and capsules is very close linked to endothermic chemical reactions. A better prediction of wall heat flux leads to smaller safety coefficient for thermal shield of space reentry vehicle; therefore, the size of thermal shield decreases and the payload increases. For these reasons, the present paper proposes a new computational method based on chemical equilibrium, which gives accurate prediction of hypersonic heating in order to support the Earth reentry capsule design.

Scale-Invariant Forms of Conservation Equations in Reactive Fields and a Modified Hydro-Thermo-Diffusive Theory of Laminar Flames

NASA Technical Reports Server (NTRS)

Sohrab, Siavash H.; Piltch, Nancy (Technical Monitor)

2000-01-01

A scale-invariant model of statistical mechanics is applied to present invariant forms of mass, energy, linear, and angular momentum conservation equations in reactive fields. The resulting conservation equations at molecular-dynamic scale are solved by the method of large activation energy asymptotics to describe the hydro-thermo-diffusive structure of laminar premixed flames. The predicted temperature and velocity profiles are in agreement with the observations. Also, with realistic physico-chemical properties and chemical-kinetic parameters for a single-step overall combustion of stoichiometric methane-air premixed flame, the laminar flame propagation velocity of 42.1 cm/s is calculated in agreement with the experimental value.

Residual stress at fluid interfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Murray, P.E.

We extend the Navier-Stokes equations to allow for residual stress in Newtonian fluids. A fluid, which undergoes a constrained volume change, will have residual stress. Corresponding to every constrained volume change is an eigenstrain. We present a method to include in the equations of fluid motion the eigenstrain that is a result of the presence in a fluid of a soluble chemical species. This method is used to calculate the residual stress associated with a chemical transformation. 9 refs., 1 fig.

Microbial chemical factories: recent advances in pathway engineering for synthesis of value added chemicals.

PubMed

Dhamankar, Himanshu; Prather, Kristala L J

2011-08-01

The dwindling nature of petroleum and other fossil reserves has provided impetus towards microbial synthesis of fuels and value added chemicals from biomass-derived sugars as a renewable resource. Microbes have naturally evolved enzymes and pathways that can convert biomass into hundreds of unique chemical structures, a property that can be effectively exploited for their engineering into Microbial Chemical Factories (MCFs). De novo pathway engineering facilitates expansion of the repertoire of microbially synthesized compounds beyond natural products. In this review, we visit some recent successes in such novel pathway engineering and optimization, with particular emphasis on the selection and engineering of pathway enzymes and balancing of their accessory cofactors. Copyright © 2011 Elsevier Ltd. All rights reserved.

A rapid method for the computation of equilibrium chemical composition of air to 15000 K

NASA Technical Reports Server (NTRS)

Prabhu, Ramadas K.; Erickson, Wayne D.

1988-01-01

A rapid computational method has been developed to determine the chemical composition of equilibrium air to 15000 K. Eleven chemically reacting species, i.e., O2, N2, O, NO, N, NO+, e-, N+, O+, Ar, and Ar+ are included. The method involves combining algebraically seven nonlinear equilibrium equations and four linear elemental mass balance and charge neutrality equations. Computational speeds for determining the equilibrium chemical composition are significantly faster than the often used free energy minimization procedure. Data are also included from which the thermodynamic properties of air can be computed. A listing of the computer program together with a set of sample results are included.

Modeling the ion transfer and polarization of ion exchange membranes in bioelectrochemical systems.

PubMed

Harnisch, Falk; Warmbier, Robert; Schneider, Ralf; Schröder, Uwe

2009-06-01

An explicit numerical model for the charge balancing ion transfer across monopolar ion exchange membranes under conditions of bioelectrochemical systems is presented. Diffusion and migration equations have been solved according to the Nernst-Planck Equation and the resulting ion concentrations, pH values and the resistance values of the membrane for different conditions were computed. The modeling results underline the principle limitations of the application of ion exchange membranes in biological fuel cells and electrolyzers, caused by the inherent occurrence of a pH-gradient between anode and cathode compartment, and an increased ohmic membrane resistance at decreasing electrolyte concentrations. Finally, the physical and numerical limitations of the model are discussed.

Non-stationary (13)C-metabolic flux ratio analysis.

PubMed

Hörl, Manuel; Schnidder, Julian; Sauer, Uwe; Zamboni, Nicola

2013-12-01

(13)C-metabolic flux analysis ((13)C-MFA) has become a key method for metabolic engineering and systems biology. In the most common methodology, fluxes are calculated by global isotopomer balancing and iterative fitting to stationary (13)C-labeling data. This approach requires a closed carbon balance, long-lasting metabolic steady state, and the detection of (13)C-patterns in a large number of metabolites. These restrictions mostly reduced the application of (13)C-MFA to the central carbon metabolism of well-studied model organisms grown in minimal media with a single carbon source. Here we introduce non-stationary (13)C-metabolic flux ratio analysis as a novel method for (13)C-MFA to allow estimating local, relative fluxes from ultra-short (13)C-labeling experiments and without the need for global isotopomer balancing. The approach relies on the acquisition of non-stationary (13)C-labeling data exclusively for metabolites in the proximity of a node of converging fluxes and a local parameter estimation with a system of ordinary differential equations. We developed a generalized workflow that takes into account reaction types and the availability of mass spectrometric data on molecular ions or fragments for data processing, modeling, parameter and error estimation. We demonstrated the approach by analyzing three key nodes of converging fluxes in central metabolism of Bacillus subtilis. We obtained flux estimates that are in agreement with published results obtained from steady state experiments, but reduced the duration of the necessary (13)C-labeling experiment to less than a minute. These results show that our strategy enables to formally estimate relative pathway fluxes on extremely short time scale, neglecting cellular carbon balancing. Hence this approach paves the road to targeted (13)C-MFA in dynamic systems with multiple carbon sources and towards rich media. © 2013 Wiley Periodicals, Inc.

Autobalancing of a rigid rotor in viscoelastic orthotropic supports considering eccentricity of the automatic ball balancer

NASA Astrophysics Data System (ADS)

Bykov, V. G.; Kovachev, A. S.

2018-05-01

A statically unbalanced rotor in viscoelastic orthotropic supports equipped with an automatic ball balancer (ABB), the axis of symmetry of which does not coincide with the symmetry axis of the rotor, is considered. Based on an analysis of the equations describing the stationary modes of motion of the system, the principal impossibility of complete balancing of the rotor is shown. The possibility of the existence of two types of stationary modes is established, one of which has a constant average amplitude of residual vibration equal to the eccentricity of the ABB. The solution corresponding to this almost balanced mode is constructed analytically. A study is made of its asymptotic stability.

The development of flux-split algorithms for flows with non-equilibrium thermodynamics and chemical reactions

NASA Technical Reports Server (NTRS)

Grossman, B.; Cinella, P.

1988-01-01

A finite-volume method for the numerical computation of flows with nonequilibrium thermodynamics and chemistry is presented. A thermodynamic model is described which simplifies the coupling between the chemistry and thermodynamics and also results in the retention of the homogeneity property of the Euler equations (including all the species continuity and vibrational energy conservation equations). Flux-splitting procedures are developed for the fully coupled equations involving fluid dynamics, chemical production and thermodynamic relaxation processes. New forms of flux-vector split and flux-difference split algorithms are embodied in a fully coupled, implicit, large-block structure, including all the species conservation and energy production equations. Several numerical examples are presented, including high-temperature shock tube and nozzle flows. The methodology is compared to other existing techniques, including spectral and central-differenced procedures, and favorable comparisons are shown regarding accuracy, shock-capturing and convergence rates.

Stochastic flow shop scheduling of overlapping jobs on tandem machines in application to optimizing the US Army's deliberate nuclear, biological, and chemical decontamination process, (final report). Master's thesis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Novikov, V.

1991-05-01

The U.S. Army's detailed equipment decontamination process is a stochastic flow shop which has N independent non-identical jobs (vehicles) which have overlapping processing times. This flow shop consists of up to six non-identical machines (stations). With the exception of one station, the processing times of the jobs are random variables. Based on an analysis of the processing times, the jobs for the 56 Army heavy division companies were scheduled according to the best shortest expected processing time - longest expected processing time (SEPT-LEPT) sequence. To assist in this scheduling the Gap Comparison Heuristic was developed to select the best SEPT-LEPTmore » schedule. This schedule was then used in balancing the detailed equipment decon line in order to find the best possible site configuration subject to several constraints. The detailed troop decon line, in which all jobs are independent and identically distributed, was then balanced. Lastly, an NBC decon optimization computer program was developed using the scheduling and line balancing results. This program serves as a prototype module for the ANBACIS automated NBC decision support system.... Decontamination, Stochastic flow shop, Scheduling, Stochastic scheduling, Minimization of the makespan, SEPT-LEPT Sequences, Flow shop line balancing, ANBACIS.« less

Complex behavior in chains of nonlinear oscillators.

PubMed

Alonso, Leandro M

2017-06-01

This article outlines sufficient conditions under which a one-dimensional chain of identical nonlinear oscillators can display complex spatio-temporal behavior. The units are described by phase equations and consist of excitable oscillators. The interactions are local and the network is poised to a critical state by balancing excitation and inhibition locally. The results presented here suggest that in networks composed of many oscillatory units with local interactions, excitability together with balanced interactions is sufficient to give rise to complex emergent features. For values of the parameters where complex behavior occurs, the system also displays a high-dimensional bifurcation where an exponentially large number of equilibria are borne in pairs out of multiple saddle-node bifurcations.

Hypermatrix scheme for finite element systems on CDC STAR-100 computer

NASA Technical Reports Server (NTRS)

Noor, A. K.; Voigt, S. J.

1975-01-01

A study is made of the adaptation of the hypermatrix (block matrix) scheme for solving large systems of finite element equations to the CDC STAR-100 computer. Discussion is focused on the organization of the hypermatrix computation using Cholesky decomposition and the mode of storage of the different submatrices to take advantage of the STAR pipeline (streaming) capability. Consideration is also given to the associated data handling problems and the means of balancing the I/Q and cpu times in the solution process. Numerical examples are presented showing anticipated gain in cpu speed over the CDC 6600 to be obtained by using the proposed algorithms on the STAR computer.

Two-phase Fluid Selection for High-temperature Automotive Platforms

DTIC Science & Technology

2012-09-01

cases, extra work by researchers can be done to uprate the device, either by parameter conformance, parameter re-characterization, or stress balancing...chemical reactivity , noble metal oxidization, intermetallic growth, CTE mismatch and other failure mechanisms are an issue with wide bandgap...21005-1852 1 US ARMY TARDEC ATTN AMSRD TAR E/ PWR C SPANGLER 6501 E 11 MILE RD, BLDG 212 WARREN MI 48397-5000 1 UNIV OF MARYLAND

Linear models for calculating digestibile energy for sheep diets.

PubMed

Fonnesbeck, P V; Christiansen, M L; Harris, L E

1981-05-01

Equations for estimating the digestible energy (DE) content of sheep diets were generated from the chemical contents and a factorial description of diets fed to lambs in digestion trials. The diet factors were two forages (alfalfa and grass hay), harvested at three stages of maturity (late vegetative, early bloom and full bloom), fed in two ingredient combinations (all hay or a 50:50 hay and corn grain mixture) and prepared by two forage texture processes (coarsely chopped or finely chopped and pelleted). The 2 x 3 x 2 x 2 factorial arrangement produced 24 diet treatments. These were replicated twice, for a total of 48 lamb digestion trials. In model 1 regression equations, DE was calculated directly from chemical composition of the diet. In model 2, regression equations predicted the percentage of digested nutrient from the chemical contents of the diet and then DE of the diet was calculated as the sum of the gross energy of the digested organic components. Expanded forms of model 1 and model 2 were also developed that included diet factors as qualitative indicator variables to adjust the regression constant and regression coefficients for the diet description. The expanded forms of the equations accounted for significantly more variation in DE than did the simple models and more accurately estimated DE of the diet. Information provided by the diet description proved as useful as chemical analyses for the prediction of digestibility of nutrients. The statistics indicate that, with model 1, neutral detergent fiber and plant cell wall analyses provided as much information for the estimation of DE as did model 2 with the combined information from crude protein, available carbohydrate, total lipid, cellulose and hemicellulose. Regression equations are presented for estimating DE with the most currently analyzed organic components, including linear and curvilinear variables and diet factors that significantly reduce the standard error of the estimate. To estimate De of a diet, the user utilizes the equation that uses the chemical analysis information and diet description most effectively.

Statistical summary of selected physical, chemical, and toxicity characteristics and estimates of annual constituent loads in urban stormwater, Maricopa County, Arizona

USGS Publications Warehouse

Fossum, Kenneth D.; O'Day, Christie M.; Wilson, Barbara J.; Monical, Jim E.

2001-01-01

Stormwater and streamflow in Maricopa County were monitored to (1) describe the physical, chemical, and toxicity characteristics of stormwater from areas having different land uses, (2) describe the physical, chemical, and toxicity characteristics of streamflow from areas that receive urban stormwater, and (3) estimate constituent loads in stormwater. Urban stormwater and streamflow had similar ranges in most constituent concentrations. The mean concentration of dissolved solids in urban stormwater was lower than in streamflow from the Salt River and Indian Bend Wash. Urban stormwater, however, had a greater chemical oxygen demand and higher concentrations of most nutrients. Mean seasonal loads and mean annual loads of 11 constituents and volumes of runoff were estimated for municipalities in the metropolitan Phoenix area, Arizona, by adjusting regional regression equations of loads. This adjustment procedure uses the original regional regression equation and additional explanatory variables that were not included in the original equation. The adjusted equations had standard errors that ranged from 161 to 196 percent. The large standard errors of the prediction result from the large variability of the constituent concentration data used in the regression analysis. Adjustment procedures produced unsatisfactory results for nine of the regressions?suspended solids, dissolved solids, total phosphorus, dissolved phosphorus, total recoverable cadmium, total recoverable copper, total recoverable lead, total recoverable zinc, and storm runoff. These equations had no consistent direction of bias and no other additional explanatory variables correlated with the observed loads. A stepwise-multiple regression or a three-variable regression (total storm rainfall, drainage area, and impervious area) and local data were used to develop local regression equations for these nine constituents. These equations had standard errors from 15 to 183 percent.

Domain decomposition methods for nonconforming finite element spaces of Lagrange-type

NASA Technical Reports Server (NTRS)

Cowsar, Lawrence C.

1993-01-01

In this article, we consider the application of three popular domain decomposition methods to Lagrange-type nonconforming finite element discretizations of scalar, self-adjoint, second order elliptic equations. The additive Schwarz method of Dryja and Widlund, the vertex space method of Smith, and the balancing method of Mandel applied to nonconforming elements are shown to converge at a rate no worse than their applications to the standard conforming piecewise linear Galerkin discretization. Essentially, the theory for the nonconforming elements is inherited from the existing theory for the conforming elements with only modest modification by constructing an isomorphism between the nonconforming finite element space and a space of continuous piecewise linear functions.

Numerical Problem Solving Using Mathcad in Undergraduate Reaction Engineering

ERIC Educational Resources Information Center

Parulekar, Satish J.

2006-01-01

Experience in using a user-friendly software, Mathcad, in the undergraduate chemical reaction engineering course is discussed. Example problems considered for illustration deal with simultaneous solution of linear algebraic equations (kinetic parameter estimation), nonlinear algebraic equations (equilibrium calculations for multiple reactions and…

A Nonlinear, Multiinput, Multioutput Process Control Laboratory Experiment

ERIC Educational Resources Information Center

Young, Brent R.; van der Lee, James H.; Svrcek, William Y.

2006-01-01

Experience in using a user-friendly software, Mathcad, in the undergraduate chemical reaction engineering course is discussed. Example problems considered for illustration deal with simultaneous solution of linear algebraic equations (kinetic parameter estimation), nonlinear algebraic equations (equilibrium calculations for multiple reactions and…

A Hybrid Method of Moment Equations and Rate Equations to Modeling Gas-Grain Chemistry

NASA Astrophysics Data System (ADS)

Pei, Y.; Herbst, E.

2011-05-01

Grain surfaces play a crucial role in catalyzing many important chemical reactions in the interstellar medium (ISM). The deterministic rate equation (RE) method has often been used to simulate the surface chemistry. But this method becomes inaccurate when the number of reacting particles per grain is typically less than one, which can occur in the ISM. In this condition, stochastic approaches such as the master equations are adopted. However, these methods have mostly been constrained to small chemical networks due to the large amounts of processor time and computer power required. In this study, we present a hybrid method consisting of the moment equation approximation to the stochastic master equation approach and deterministic rate equations to treat a gas-grain model of homogeneous cold cloud cores with time-independent physical conditions. In this model, we use the standard OSU gas phase network (version OSU2006V3) which involves 458 gas phase species and more than 4000 reactions, and treat it by deterministic rate equations. A medium-sized surface reaction network which consists of 21 species and 19 reactions accounts for the productions of stable molecules such as H_2O, CO, CO_2, H_2CO, CH_3OH, NH_3 and CH_4. These surface reactions are treated by a hybrid method of moment equations (Barzel & Biham 2007) and rate equations: when the abundance of a surface species is lower than a specific threshold, say one per grain, we use the ``stochastic" moment equations to simulate the evolution; when its abundance goes above this threshold, we use the rate equations. A continuity technique is utilized to secure a smooth transition between these two methods. We have run chemical simulations for a time up to 10^8 yr at three temperatures: 10 K, 15 K, and 20 K. The results will be compared with those generated from (1) a completely deterministic model that uses rate equations for both gas phase and grain surface chemistry, (2) the method of modified rate equations (Garrod 2008), which partially takes into account the stochastic effect for surface reactions, and (3) the master equation approach solved using a Monte Carlo technique. At 10 K and standard grain sizes, our model results agree well with the above three methods, while discrepancies appear at higher temperatures and smaller grain sizes.

Metabolite-balancing techniques vs. 13C tracer experiments to determine metabolic fluxes in hybridoma cells.

PubMed

Bonarius, H P; Timmerarends, B; de Gooijer, C D; Tramper, J

The estimation of intracellular fluxes of mammalian cells using only mass balances of the relevant metabolites is not possible because the set of linear equations defined by these mass balances is underdetermined. In order to quantify fluxes in cyclic pathways the mass balance equations can be complemented with several constraints: (1) the mass balances of co-metabolites, such as ATP or NAD(P)H, (2) linear objective functions, (3) flux data obtained by isotopic-tracer experiments. Here, these three methods are compared for the analysis of fluxes in the primary metabolism of continuously cultured hybridoma cells. The significance of different theoretical constraints and different objective functions is discussed after comparing their resulting flux distributions to the fluxes determined using 13CO2 and 13C-lactate measurements of 1 - 13C-glucose-fed hybridoma cells. Metabolic fluxes estimated using the objective functions "maximize ATP" and "maximize NADH" are relatively similar to the experimentally determined fluxes. This is consistent with the observation that cancer cells, such as hybridomas, are metabolically hyperactive, and produce ATP and NADH regardless of the need for these cofactors. Copyright 1998 John Wiley & Sons, Inc.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sierra Thermal /Fluid Team

Aria is a Galerkin finite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process flows via the incompressible Navier-Stokes equations specialized to a low Reynolds number (Re %3C 1) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrarymore » Lagrangian- Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newton's method with analytic or numerical sensitivities, fully-coupled Newton- Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic h-adaptivity and dynamic load balancing are some of Aria's more advanced capabilities. Aria is based upon the Sierra Framework.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vorotilin, V. P., E-mail: VPVorotilin@yandex.ru; Yanovskii, Yu. G.

On the basis of representation of a turbulent fluid as an aggregation of independent turbulent particles (vortexes), we derive relations for the effective rate of chemical reactions and obtain a closed system of equations describing reactions with turbulent mixing of reactants. A variant of instantaneous reactions is considered that explains the proposed approach simply. In particular, the turbulent mixing events according to this approach are uniquely related to the acts of chemical interaction, which makes it possible to exclude from consideration the mixing of inert impurities–the most difficult point of the theory formulated using classical notions. The obtained system ofmore » equations is closed without introducing arbitrarily adopted correlations, by naturally introducing the concept of effective reaction and writing the equations of conservation for both the concentrations of reactants and their volumes.« less

Computational manipulation of a radiative MHD flow with Hall current and chemical reaction in the presence of rotating fluid

NASA Astrophysics Data System (ADS)

Alias Suba, Subbu; Muthucumaraswamy, R.

2018-04-01

A numerical analysis of transient radiative MHD(MagnetoHydroDynamic) natural convective flow of a viscous, incompressible, electrically conducting and rotating fluid along a semi-infinite isothermal vertical plate is carried out taking into consideration Hall current, rotation and first order chemical reaction.The coupled non-linear partial differential equations are expressed in difference form using implicit finite difference scheme. The difference equations are then reduced to a system of linear algebraic equations with a tri-diagonal structure which is solved by Thomas Algorithm. The primary and secondary velocity profiles, temperature profile, concentration profile, skin friction, Nusselt number and Sherwood Number are depicted graphically for a range of values of rotation parameter, Hall parameter,magnetic parameter, chemical reaction parameter, radiation parameter, Prandtl number and Schmidt number.It is recognized that rate of heat transfer and rate of mass transfer decrease with increase in time but they increase with increasing values of radiation parameter and Schmidt number respectively.

A versatile embedded boundary adaptive mesh method for compressible flow in complex geometry

NASA Astrophysics Data System (ADS)

Al-Marouf, M.; Samtaney, R.

2017-05-01

We present an embedded ghost fluid method for numerical solutions of the compressible Navier Stokes (CNS) equations in arbitrary complex domains. A PDE multidimensional extrapolation approach is used to reconstruct the solution in the ghost fluid regions and imposing boundary conditions on the fluid-solid interface, coupled with a multi-dimensional algebraic interpolation for freshly cleared cells. The CNS equations are numerically solved by the second order multidimensional upwind method. Block-structured adaptive mesh refinement, implemented with the Chombo framework, is utilized to reduce the computational cost while keeping high resolution mesh around the embedded boundary and regions of high gradient solutions. The versatility of the method is demonstrated via several numerical examples, in both static and moving geometry, ranging from low Mach number nearly incompressible flows to supersonic flows. Our simulation results are extensively verified against other numerical results and validated against available experimental results where applicable. The significance and advantages of our implementation, which revolve around balancing between the solution accuracy and implementation difficulties, are briefly discussed as well.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sierra Thermal/Fluid Team

Aria is a Galerkin fnite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process fows via the incompressible Navier-Stokes equations specialized to a low Reynolds number ( %3C 1 ) regime. Enhanced modeling support of manufacturing processing is made possible through use of eithermore » arbitrary Lagrangian- Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newton's method with analytic or numerical sensitivities, fully-coupled Newton- Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic h -adaptivity and dynamic load balancing are some of Aria's more advanced capabilities. Aria is based upon the Sierra Framework.« less

Development of full wave code for modeling RF fields in hot non-uniform plasmas

NASA Astrophysics Data System (ADS)

Zhao, Liangji; Svidzinski, Vladimir; Spencer, Andrew; Kim, Jin-Soo

2016-10-01

FAR-TECH, Inc. is developing a full wave RF modeling code to model RF fields in fusion devices and in general plasma applications. As an important component of the code, an adaptive meshless technique is introduced to solve the wave equations, which allows resolving plasma resonances efficiently and adapting to the complexity of antenna geometry and device boundary. The computational points are generated using either a point elimination method or a force balancing method based on the monitor function, which is calculated by solving the cold plasma dispersion equation locally. Another part of the code is the conductivity kernel calculation, used for modeling the nonlocal hot plasma dielectric response. The conductivity kernel is calculated on a coarse grid of test points and then interpolated linearly onto the computational points. All the components of the code are parallelized using MPI and OpenMP libraries to optimize the execution speed and memory. The algorithm and the results of our numerical approach to solving 2-D wave equations in a tokamak geometry will be presented. Work is supported by the U.S. DOE SBIR program.

Thermal Conductivity of Gas Mixtures in Chemical Equilibrium

NASA Technical Reports Server (NTRS)

Brokaw, Richard S.

1960-01-01

The expression for the thermal conductivity of gas mixtures in chemical equilibrium is presented in a simpler and less restrictive form. This new form is shown to be equivalent to the previous equations.

Upwind differencing and LU factorization for chemical non-equilibrium Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Shuen, Jian-Shun

1992-01-01

By means of either the Roe or the Van Leer flux-splittings for inviscid terms, in conjunction with central differencing for viscous terms in the explicit operator and the Steger-Warming splitting and lower-upper approximate factorization for the implicit operator, the present, robust upwind method for solving the chemical nonequilibrium Navier-Stokes equations yields formulas for finite-volume discretization in general coordinates. Numerical tests in the illustrative cases of a hypersonic blunt body, a ramped duct, divergent nozzle flows, and shock wave/boundary layer interactions, establish the method's efficiency.

Spray automated balancing of rotors: Methods and materials

NASA Technical Reports Server (NTRS)

Smalley, Anthony J.; Baldwin, Richard M.; Schick, Wilbur R.

1988-01-01

The work described consists of two parts. In the first part, a survey is performed to assess the state of the art in rotor balancing technology as it applies to Army gas turbine engines and associated power transmission hardware. The second part evaluates thermal spray processes for balancing weight addition in an automated balancing procedure. The industry survey reveals that: (1) computerized balancing equipment is valuable to reduce errors, improve balance quality, and provide documentation; (2) slow-speed balancing is used exclusively, with no forseeable need for production high-speed balancing; (3) automated procedures are desired; and (4) thermal spray balancing is viewed with cautious optimism whereas laser balancing is viewed with concern for flight propulsion hardware. The FARE method (Fuel/Air Repetitive Explosion) was selected for experimental evaluation of bond strength and fatigue strength. Material combinations tested were tungsten carbide on stainless steel (17-4), Inconel 718 on Inconel 718, and Triballoy 800 on Inconel 718. Bond strengths were entirely adequate for use in balancing. Material combinations have been identified for use in hot and cold sections of an engine, with fatigue strengths equivalent to those for hand-ground materials.

Transport of reacting solutes in porous media: Relation between mathematical nature of problem formulation and chemical nature of reactions

USGS Publications Warehouse

Rubin, Jacob

1983-01-01

Examples involving six broad reaction classes show that the nature of transport-affecting chemistry may have a profound effect on the mathematical character of solute transport problem formulation. Substantive mathematical diversity among such formulations is brought about principally by reaction properties that determine whether (1) the reaction can be regarded as being controlled by local chemical equilibria or whether it must be considered as being controlled by kinetics, (2) the reaction is homogeneous or heterogeneous, (3) the reaction is a surface reaction (adsorption, ion exchange) or one of the reactions of classical chemistry (e.g., precipitation, dissolution, oxidation, reduction, complex formation). These properties, as well as the choice of means to describe them, stipulate, for instance, (1) the type of chemical entities for which a formulation's basic, mass-balance equations should be written; (2) the nature of mathematical transformations needed to change the problem's basic equations into operational ones. These and other influences determine such mathematical features of problem formulations as the nature of the operational transport-equation system (e.g., whether it involves algebraic, partial-differential, or integro-partial-differential simultaneous equations), the type of nonlinearities of such a system, and the character of the boundaries (e.g., whether they are stationary or moving). Exploration of the reasons for the dependence of transport mathematics on transport chemistry suggests that many results of this dependence stem from the basic properties of the reactions' chemical-relation (i.e., equilibrium or rate) equations.

A Second-Year Undergraduate Course in Applied Differential Equations.

ERIC Educational Resources Information Center

Fahidy, Thomas Z.

1991-01-01

Presents the framework for a chemical engineering course using ordinary differential equations to solve problems with the underlying strategy of concisely discussing the theory behind each solution technique without extensions to formal proofs. Includes typical class illustrations, student responses to this strategy, and reaction of the…

Photochemistry and dynamics of the ozone layer

NASA Technical Reports Server (NTRS)

Prinn, R. G.; Alyea, F. N.; Cunnold, D. M.

1978-01-01

The paper presents a broad review of the photochemical and dynamic theories of the ozone layer. The two theories are combined into the MIT three-dimensional dynamic-chemical quasi-geostrophic model with 26 levels in the vertical spaced in logarithmic pressure coordinates between the ground and 72-km altitude. The chemical scheme incorporates the important odd nitrogen, odd hydrogen, and odd oxygen chemistry, but is simplified in the sense that it requires specification of the distributions of NO2, OH and HO2. The prognostic equations are the vorticity equation, the perturbation thermodynamic equation, and the global mean and perturbation continuity equations for ozone; diagnostic equations include the hydrostatic equation, the balance condition, and the mass continuity equation. The model is applied to the investigation of the impact of supersonic aircraft on the ozone layer.

Pressure and Chemical Potential: Effects Hydrophilic Soils Have on Adsorption and Transport

NASA Astrophysics Data System (ADS)

Bennethum, L. S.; Weinstein, T.

2003-12-01

Using the assumption that thermodynamic properties of fluid is affected by its proximity to the solid phase, a theoretical model has been developed based on upscaling and fundamental thermodynamic principles (termed Hybrid Mixture Theory). The theory indicates that Darcy's law and the Darcy-scale chemical potential (which determines the rate of adsorption and diffusion) need to be modified in order to apply to soils containing hydrophilic soils. In this talk we examine the Darcy-scale definition of pressure and chemical potential, especially as it applies to hydrophilic soils. To arrive at our model, we used hybrid mixture theory - first pioneered by Hassanizadeh and Gray in 1979. The technique involves averaging the field equations (i.e. conservation of mass, momentum balance, energy balance, etc.) to obtain macroscopic field equations, where each field variable is defined precisely in terms of its microscale counterpart. To close the system consistently with classical thermodynamics, the entropy inequality is exploited in the sense of Coleman and Noll. With the exceptions that the macroscale field variables are defined precisely in terms of their microscale counterparts and that microscopic interfacial equations can also be treated in a similar manner, the resulting system of equations is consistent with those derived using classical mixture theory. Hence the terminology, Hybrid Mixture Theory.

Transport equations for partially ionized reactive plasma in magnetic field

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhdanov, V. M.; Stepanenko, A. A.

2016-06-08

Transport equations for partially ionized reactive plasma in magnetic field taking into account the internal degrees of freedom and electronic excitation of plasma particles are derived. As a starting point of analysis the kinetic equation with a binary collision operator written in the Wang-Chang and Uhlenbeck form and with a reactive collision integral allowing for arbitrary chemical reactions is used. The linearized variant of Grad’s moment method is applied to deduce the systems of moment equations for plasma and also full and reduced transport equations for plasma species nonequilibrium parameters.

Chemical-potential flow equations for graphene with Coulomb interactions

NASA Astrophysics Data System (ADS)

Fräßdorf, Christian; Mosig, Johannes E. M.

2018-06-01

We calculate the chemical potential dependence of the renormalized Fermi velocity and static dielectric function for Dirac quasiparticles in graphene nonperturbatively at finite temperature. By reinterpreting the chemical potential as a flow parameter in the spirit of the functional renormalization group (fRG) we obtain a set of flow equations, which describe the change of these functions upon varying the chemical potential. In contrast to the fRG the initial condition of the flow is nontrivial and has to be calculated separately. Our results are consistent with a charge carrier-independent Fermi velocity v (k ) for small densities n ≲k2/π , supporting the comparison of the zero-density fRG calculation of Bauer et al. [Phys. Rev. B 92, 121409 (2015), 10.1103/PhysRevB.92.121409], with the experiment of Elias et al. [Nat. Phys. 7, 701 (2011), 10.1038/nphys2049].

A Gas-Kinetic Scheme for Reactive Flows

NASA Technical Reports Server (NTRS)

Lian,Youg-Sheng; Xu, Kun

1998-01-01

In this paper, the gas-kinetic BGK scheme for the compressible flow equations is extended to chemical reactive flow. The mass fraction of the unburnt gas is implemented into the gas kinetic equation by assigning a new internal degree of freedom to the particle distribution function. The new variable can be also used to describe fluid trajectory for the nonreactive flows. Due to the gas-kinetic BGK model, the current scheme basically solves the Navier-Stokes chemical reactive flow equations. Numerical tests validate the accuracy and robustness of the current kinetic method.

Edemagenic gain and interstitial fluid volume regulation.

PubMed

Dongaonkar, R M; Quick, C M; Stewart, R H; Drake, R E; Cox, C S; Laine, G A

2008-02-01

Under physiological conditions, interstitial fluid volume is tightly regulated by balancing microvascular filtration and lymphatic return to the central venous circulation. Even though microvascular filtration and lymphatic return are governed by conservation of mass, their interaction can result in exceedingly complex behavior. Without making simplifying assumptions, investigators must solve the fluid balance equations numerically, which limits the generality of the results. We thus made critical simplifying assumptions to develop a simple solution to the standard fluid balance equations that is expressed as an algebraic formula. Using a classical approach to describe systems with negative feedback, we formulated our solution as a "gain" relating the change in interstitial fluid volume to a change in effective microvascular driving pressure. The resulting "edemagenic gain" is a function of microvascular filtration coefficient (K(f)), effective lymphatic resistance (R(L)), and interstitial compliance (C). This formulation suggests two types of gain: "multivariate" dependent on C, R(L), and K(f), and "compliance-dominated" approximately equal to C. The latter forms a basis of a novel method to estimate C without measuring interstitial fluid pressure. Data from ovine experiments illustrate how edemagenic gain is altered with pulmonary edema induced by venous hypertension, histamine, and endotoxin. Reformulation of the classical equations governing fluid balance in terms of edemagenic gain thus yields new insight into the factors affecting an organ's susceptibility to edema.

Fractional dynamics of globally slow transcription and its impact on deterministic genetic oscillation.

PubMed

Wei, Kun; Gao, Shilong; Zhong, Suchuan; Ma, Hong

2012-01-01

In dynamical systems theory, a system which can be described by differential equations is called a continuous dynamical system. In studies on genetic oscillation, most deterministic models at early stage are usually built on ordinary differential equations (ODE). Therefore, gene transcription which is a vital part in genetic oscillation is presupposed to be a continuous dynamical system by default. However, recent studies argued that discontinuous transcription might be more common than continuous transcription. In this paper, by appending the inserted silent interval lying between two neighboring transcriptional events to the end of the preceding event, we established that the running time for an intact transcriptional event increases and gene transcription thus shows slow dynamics. By globally replacing the original time increment for each state increment by a larger one, we introduced fractional differential equations (FDE) to describe such globally slow transcription. The impact of fractionization on genetic oscillation was then studied in two early stage models--the Goodwin oscillator and the Rössler oscillator. By constructing a "dual memory" oscillator--the fractional delay Goodwin oscillator, we suggested that four general requirements for generating genetic oscillation should be revised to be negative feedback, sufficient nonlinearity, sufficient memory and proper balancing of timescale. The numerical study of the fractional Rössler oscillator implied that the globally slow transcription tends to lower the chance of a coupled or more complex nonlinear genetic oscillatory system behaving chaotically.

Biconvection flow of Carreau fluid over an upper paraboloid surface: A computational study

NASA Astrophysics Data System (ADS)

Khan, Mair; Hussain, Arif; Malik, M. Y.; Salahuddin, T.

Present article explored the physical characteristics of biconvection effects on the MHD flow of Carreau nanofluid over upper horizontal surface of paraboloid revolution along with chemical reaction. The concept of the Carreau nanofluid was introduced the new parameterization achieve the momentum governing equation. Using similarity transformed, the governing partial differential equations are converted into the ordinary differential equations. The obtained governing equations are solved computationally by using implicit finite difference method known as the Keller box technique. The numerical solutions are obtained for the velocity, temperature, concentration, friction factor, local heat and mass transfer coefficients by varying controlling parameters i.e. Biconvection parameter, fluid parameter, Weissenberg number, Hartmann number, Prandtl number, Brownian motion parameter, thermophoresis parameter, Lewis number and chemical reaction parameter. The obtained results are discussed via graphs and tables.

Exploring Chemical Equilibrium with Poker Chips: A General Chemistry Laboratory Exercise

ERIC Educational Resources Information Center

Bindel, Thomas H.

2012-01-01

A hands-on laboratory exercise at the general chemistry level introduces students to chemical equilibrium through a simulation that uses poker chips and rate equations. More specifically, the exercise allows students to explore reaction tables, dynamic chemical equilibrium, equilibrium constant expressions, and the equilibrium constant based on…

Group analysis for natural convection from a vertical plate

NASA Astrophysics Data System (ADS)

Rashed, A. S.; Kassem, M. M.

2008-12-01

The steady laminar natural convection of a fluid having chemical reaction of order n past a semi-infinite vertical plate is considered. The solution of the problem by means of one-parameter group method reduces the number of independent variables by one leading to a system of nonlinear ordinary differential equations. Two different similarity transformations are found. In each case the set of differential equations are solved numerically using Runge-Kutta and the shooting method. For each transformation different Schmidt numbers and chemical reaction orders are tested.

Vesicle electrohydrodynamics.

PubMed

Schwalbe, Jonathan T; Vlahovska, Petia M; Miksis, Michael J

2011-04-01

A small amplitude perturbation analysis is developed to describe the effect of a uniform electric field on the dynamics of a lipid bilayer vesicle in a simple shear flow. All media are treated as leaky dielectrics and fluid motion is described by the Stokes equations. The instantaneous vesicle shape is obtained by balancing electric, hydrodynamic, bending, and tension stresses exerted on the membrane. We find that in the absence of ambient shear flow, it is possible that an applied stepwise uniform dc electric field could cause the vesicle shape to evolve from oblate to prolate over time if the encapsulated fluid is less conducting than the suspending fluid. For a vesicle in ambient shear flow, the electric field damps the tumbling motion, leading to a stable tank-treading state.

A Process Model for the Comprehension of Organic Chemistry Notation

ERIC Educational Resources Information Center

Havanki, Katherine L.

2012-01-01

This dissertation examines the cognitive processes individuals use when reading organic chemistry equations and factors that affect these processes, namely, visual complexity of chemical equations and participant characteristics (expertise, spatial ability, and working memory capacity). A six stage process model for the comprehension of organic…

FastChem: A computer program for efficient complex chemical equilibrium calculations in the neutral/ionized gas phase with applications to stellar and planetary atmospheres

NASA Astrophysics Data System (ADS)

Stock, Joachim W.; Kitzmann, Daniel; Patzer, A. Beate C.; Sedlmayr, Erwin

2018-06-01

For the calculation of complex neutral/ionized gas phase chemical equilibria, we present a semi-analytical versatile and efficient computer program, called FastChem. The applied method is based on the solution of a system of coupled nonlinear (and linear) algebraic equations, namely the law of mass action and the element conservation equations including charge balance, in many variables. Specifically, the system of equations is decomposed into a set of coupled nonlinear equations in one variable each, which are solved analytically whenever feasible to reduce computation time. Notably, the electron density is determined by using the method of Nelder and Mead at low temperatures. The program is written in object-oriented C++ which makes it easy to couple the code with other programs, although a stand-alone version is provided. FastChem can be used in parallel or sequentially and is available under the GNU General Public License version 3 at https://github.com/exoclime/FastChem together with several sample applications. The code has been successfully validated against previous studies and its convergence behavior has been tested even for extreme physical parameter ranges down to 100 K and up to 1000 bar. FastChem converges stable and robust in even most demanding chemical situations, which posed sometimes extreme challenges for previous algorithms.

Devices and tasks involved in the objective assessment of standing dynamic balancing - A systematic literature review.

PubMed

Petró, Bálint; Papachatzopoulou, Alexandra; Kiss, Rita M

2017-01-01

Static balancing assessment is often complemented with dynamic balancing tasks. Numerous dynamic balancing assessment methods have been developed in recent decades with their corresponding balancing devices and tasks. The aim of this systematic literature review is to identify and categorize existing objective methods of standing dynamic balancing ability assessment with an emphasis on the balancing devices and tasks being used. Three major scientific literature databases (Science Direct, Web of Science, PLoS ONE) and additional sources were used. Studies had to use a dynamic balancing device and a task described in detail. Evaluation had to be based on objectively measureable parameters. Functional tests without instrumentation evaluated exclusively by a clinician were excluded. A total of 63 articles were included. The data extracted during full-text assessment were: author and date; the balancing device with the balancing task and the measured parameters; the health conditions, size, age and sex of participant groups; and follow-up measurements. A variety of dynamic balancing assessment devices were identified and categorized as 1) Solid ground, 2) Balance board, 3) Rotating platform, 4) Horizontal translational platform, 5) Treadmill, 6) Computerized Dynamic Posturography, and 7) Other devices. The group discrimination ability of the methods was explored and the conclusions of the studies were briefly summarized. Due to the wide scope of this search, it provides an overview of balancing devices and do not represent the state-of-the-art of any single method. The identified dynamic balancing assessment methods are offered as a catalogue of candidate methods to complement static assessments used in studies involving postural control.

Non-equilibrium reaction rates in chemical kinetic equations

NASA Astrophysics Data System (ADS)

Gorbachev, Yuriy

2018-05-01

Within the recently proposed asymptotic method for solving the Boltzmann equation for chemically reacting gas mixture, the chemical kinetic equations has been derived. Corresponding one-temperature non-equilibrium reaction rates are expressed in terms of specific heat capacities of the species participate in the chemical reactions, bracket integrals connected with the internal energy transfer in inelastic non-reactive collisions and energy transfer coefficients. Reactions of dissociation/recombination of homonuclear and heteronuclear diatomic molecules are considered. It is shown that all reaction rates are the complex functions of the species densities, similarly to the unimolecular reaction rates. For determining the rate coefficients it is recommended to tabulate corresponding bracket integrals, additionally to the equilibrium rate constants. Correlation of the obtained results with the irreversible thermodynamics is established.

Exploring the Mastery of French Students in Using Basic Notions of the Language of Chemistry

ERIC Educational Resources Information Center

Canac, Sophie; Kermen, Isabelle

2016-01-01

Learning chemistry includes learning the language of chemistry (names, formulae, symbols, and chemical equations) which has to be done in connection with the other areas of chemical knowledge. In this study we investigate how French students understand and use names (of chemical species and common mixtures) and chemical formulae. We set a paper…

Looking Backward, Looking Forward: The Long, Torturous Struggle with Mosquitoes.

PubMed

Patterson, Gordon M

2016-10-19

The American anti-mosquito movement grew out of the discovery of the role of mosquitoes in transferring pathogens and public concern about pest and nuisance mosquitoes in the late 1800s. In the 20th century, organized mosquito control in the United States passed through three eras: mechanical, chemical, and integrated mosquito control. Mosquito control in the 21st century faces the challenge of emerging pathogens, invasive mosquito species, and balancing concerns about the environment with effective control strategies.

Balancing selection on immunity genes: review of the current literature and new analysis in Drosophila melanogaster.

PubMed

Croze, Myriam; Živković, Daniel; Stephan, Wolfgang; Hutter, Stephan

2016-08-01

Balancing selection has been widely assumed to be an important evolutionary force, yet even today little is known about its abundance and its impact on the patterns of genetic diversity. Several studies have shown examples of balancing selection in humans, plants or parasites, and many genes under balancing selection are involved in immunity. It has been proposed that host-parasite coevolution is one of the main forces driving immune genes to evolve under balancing selection. In this paper, we review the literature on balancing selection on immunity genes in several organisms, including Drosophila. Furthermore, we performed a genome scan for balancing selection in an African population of Drosophila melanogaster using coalescent simulations of a demographic model with and without selection. We find very few genes under balancing selection and only one novel candidate gene related to immunity. Finally, we discuss the possible causes of the low number of genes under balancing selection. Copyright © 2016 The Authors. Published by Elsevier GmbH.. All rights reserved.

International Conference on Chemical Kinetics: Program and Abstracts Held in Gaithersburg, Maryland on 17-19 June 1985.

DTIC Science & Technology

1985-06-01

relative to reactant and with the free energy of reaction. The correlation equations were derived from hyperbolic paraboloid models of the energy...obtained the differen- tial equations which define the best dividing surfaces of this type for both microcanonical and canonical cases. We have...is now generalized to non-uniform reaction systems. For kinetics-diffusion problems the equations of the generalized PAM were (similar in form to

A Model to Couple Flow, Thermal and Reactive Chemical Transport, and Geo-mechanics in Variably Saturated Media

NASA Astrophysics Data System (ADS)

Yeh, G. T.; Tsai, C. H.

2015-12-01

This paper presents the development of a THMC (thermal-hydrology-mechanics-chemistry) process model in variably saturated media. The governing equations for variably saturated flow and reactive chemical transport are obtained based on the mass conservation principle of species transport supplemented with Darcy's law, constraint of species concentration, equation of states, and constitutive law of K-S-P (Conductivity-Degree of Saturation-Capillary Pressure). The thermal transport equation is obtained based on the conservation of energy. The geo-mechanic displacement is obtained based on the assumption of equilibrium. Conventionally, these equations have been implicitly coupled via the calculations of secondary variables based on primary variables. The mechanisms of coupling have not been obvious. In this paper, governing equations are explicitly coupled for all primary variables. The coupling is accomplished via the storage coefficients, transporting velocities, and conduction-dispersion-diffusion coefficient tensor; one set each for every primary variable. With this new system of equations, the coupling mechanisms become clear. Physical interpretations of every term in the coupled equations will be discussed. Examples will be employed to demonstrate the intuition and superiority of these explicit coupling approaches. Keywords: Variably Saturated Flow, Thermal Transport, Geo-mechanics, Reactive Transport.

Inventory Control: A Small Electronic Device for Studying Chemical Kinetics.

ERIC Educational Resources Information Center

Perez-Rodriguez, A. L.; Calvo-Aguilar, J. L.

1984-01-01

Shows how the rate of reaction can be studied using a simple electronic device that overcomes the difficulty students encounter in solving the differential equations describing chemical equilibrium. The device, used in conjunction with an oscilloscope, supplies the voltages that represent the chemical variables that take part in the equilibrium.…

Neuron splitting in compute-bound parallel network simulations enables runtime scaling with twice as many processors.

PubMed

Hines, Michael L; Eichner, Hubert; Schürmann, Felix

2008-08-01

Neuron tree topology equations can be split into two subtrees and solved on different processors with no change in accuracy, stability, or computational effort; communication costs involve only sending and receiving two double precision values by each subtree at each time step. Splitting cells is useful in attaining load balance in neural network simulations, especially when there is a wide range of cell sizes and the number of cells is about the same as the number of processors. For compute-bound simulations load balance results in almost ideal runtime scaling. Application of the cell splitting method to two published network models exhibits good runtime scaling on twice as many processors as could be effectively used with whole-cell balancing.

EQ3NR, a computer program for geochemical aqueous speciation-solubility calculations: Theoretical manual, user`s guide, and related documentation (Version 7.0); Part 3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wolery, T.J.

1992-09-14

EQ3NR is an aqueous solution speciation-solubility modeling code. It is part of the EQ3/6 software package for geochemical modeling. It computes the thermodynamic state of an aqueous solution by determining the distribution of chemical species, including simple ions, ion pairs, and complexes, using standard state thermodynamic data and various equations which describe the thermodynamic activity coefficients of these species. The input to the code describes the aqueous solution in terms of analytical data, including total (analytical) concentrations of dissolved components and such other parameters as the pH, pHCl, Eh, pe, and oxygen fugacity. The input may also include a desiredmore » electrical balancing adjustment and various constraints which impose equilibrium with special pure minerals, solid solution end-member components (of specified mole fractions), and gases (of specified fugacities). The code evaluates the degree of disequilibrium in terms of the saturation index (SI = 1og Q/K) and the thermodynamic affinity (A = {minus}2.303 RT log Q/K) for various reactions, such as mineral dissolution or oxidation-reduction in the aqueous solution itself. Individual values of Eh, pe, oxygen fugacity, and Ah (redox affinity) are computed for aqueous redox couples. Equilibrium fugacities are computed for gas species. The code is highly flexible in dealing with various parameters as either model inputs or outputs. The user can specify modification or substitution of equilibrium constants at run time by using options on the input file.« less

A Numerical Analysis of the Transient Response of an Ablation System Including Effects of Thermal Nonequilibrium, Mass Transfer and Chemical Kinetics. Ph.D Thesis - Virginia Polytechnic Inst. and State Univ.

NASA Technical Reports Server (NTRS)

Clark, R. K.

1972-01-01

The differential equations governing the transient response of a one-dimensional ablative thermal protection system undergoing stagnation ablation are derived. These equations are for thermal nonequilibrium effects between the pyrolysis gases and the char layer and kinetically controlled chemical reactions and mass transfer between the pyrolysis gases and the char layer. The boundary conditions are written for the particular case of stagnation heating with surface removal by oxidation or sublimation and pyrolysis of the uncharred layer occurring in a plane. The governing equations and boundary conditions are solved numerically using the modified implicit method (Crank-Nicolson method). Numerical results are compared with exact solutions for a number of simplified cases. The comparison is favorable in each instance.

On the origins of approximations for stochastic chemical kinetics.

PubMed

Haseltine, Eric L; Rawlings, James B

2005-10-22

This paper considers the derivation of approximations for stochastic chemical kinetics governed by the discrete master equation. Here, the concepts of (1) partitioning on the basis of fast and slow reactions as opposed to fast and slow species and (2) conditional probability densities are used to derive approximate, partitioned master equations, which are Markovian in nature, from the original master equation. Under different conditions dictated by relaxation time arguments, such approximations give rise to both the equilibrium and hybrid (deterministic or Langevin equations coupled with discrete stochastic simulation) approximations previously reported. In addition, the derivation points out several weaknesses in previous justifications of both the hybrid and equilibrium systems and demonstrates the connection between the original and approximate master equations. Two simple examples illustrate situations in which these two approximate methods are applicable and demonstrate the two methods' efficiencies.

Discreteness-induced concentration inversion in mesoscopic chemical systems.

PubMed

Ramaswamy, Rajesh; González-Segredo, Nélido; Sbalzarini, Ivo F; Grima, Ramon

2012-04-10

Molecular discreteness is apparent in small-volume chemical systems, such as biological cells, leading to stochastic kinetics. Here we present a theoretical framework to understand the effects of discreteness on the steady state of a monostable chemical reaction network. We consider independent realizations of the same chemical system in compartments of different volumes. Rate equations ignore molecular discreteness and predict the same average steady-state concentrations in all compartments. However, our theory predicts that the average steady state of the system varies with volume: if a species is more abundant than another for large volumes, then the reverse occurs for volumes below a critical value, leading to a concentration inversion effect. The addition of extrinsic noise increases the size of the critical volume. We theoretically predict the critical volumes and verify, by exact stochastic simulations, that rate equations are qualitatively incorrect in sub-critical volumes.

Chemical reactions simulated by ground-water-quality models

USGS Publications Warehouse

Grove, David B.; Stollenwerk, Kenneth G.

1987-01-01

Recent literature concerning the modeling of chemical reactions during transport in ground water is examined with emphasis on sorption reactions. The theory of transport and reactions in porous media has been well documented. Numerous equations have been developed from this theory, to provide both continuous and sequential or multistep models, with the water phase considered for both mobile and immobile phases. Chemical reactions can be either equilibrium or non-equilibrium, and can be quantified in linear or non-linear mathematical forms. Non-equilibrium reactions can be separated into kinetic and diffusional rate-limiting mechanisms. Solutions to the equations are available by either analytical expressions or numerical techniques. Saturated and unsaturated batch, column, and field studies are discussed with one-dimensional, laboratory-column experiments predominating. A summary table is presented that references the various kinds of models studied and their applications in predicting chemical concentrations in ground waters.

Real-Gas Effects on Binary Mixing Layers

NASA Technical Reports Server (NTRS)

Okong'o, Nora; Bellan, Josette

2003-01-01

This paper presents a computational study of real-gas effects on the mean flow and temporal stability of heptane/nitrogen and oxygen/hydrogen mixing layers at supercritical pressures. These layers consist of two counterflowing free streams of different composition, temperature, and density. As in related prior studies reported in NASA Tech Briefs, the governing conservation equations were the Navier-Stokes equations of compressible flow plus equations for the conservation of total energy and of chemical- species masses. In these equations, the expressions for heat fluxes and chemical-species mass fluxes were derived from fluctuation-dissipation theory and incorporate Soret and Dufour effects. Similarity equations for the streamwise velocity, temperature, and mass fractions were derived as approximations to the governing equations. Similarity profiles showed important real-gas, non-ideal-mixture effects, particularly for temperature, in departing from the error-function profile, which is the similarity solution for incompressible flow. The temperature behavior was attributed to real-gas thermodynamics and variations in Schmidt and Prandtl numbers. Temporal linear inviscid stability analyses were performed using the similarity and error-function profiles as the mean flow. For the similarity profiles, the growth rates were found to be larger and the wavelengths of highest instability shorter, relative to those of the errorfunction profiles and to those obtained from incompressible-flow stability analysis. The range of unstable wavelengths was found to be larger for the similarity profiles than for the error-function profiles

Combustion-acoustic stability analysis for premixed gas turbine combustors

NASA Technical Reports Server (NTRS)

Darling, Douglas; Radhakrishnan, Krishnan; Oyediran, Ayo; Cowan, Lizabeth

1995-01-01

Lean, prevaporized, premixed combustors are susceptible to combustion-acoustic instabilities. A model was developed to predict eigenvalues of axial modes for combustion-acoustic interactions in a premixed combustor. This work extends previous work by including variable area and detailed chemical kinetics mechanisms, using the code LSENS. Thus the acoustic equations could be integrated through the flame zone. Linear perturbations were made of the continuity, momentum, energy, chemical species, and state equations. The qualitative accuracy of our approach was checked by examining its predictions for various unsteady heat release rate models. Perturbations in fuel flow rate are currently being added to the model.

Modern rotor balancing - Emerging technologies

NASA Technical Reports Server (NTRS)

Zorzi, E. S.; Von Pragenau, G. L.

1985-01-01

Modern balancing methods for flexible and rigid rotors are explored. Rigid rotor balancing is performed at several hundred rpm, well below the first bending mode of the shaft. High speed balancing is necessary when the nominal rotational speed is higher than the first bending mode. Both methods introduce weights which will produce rotor responses at given speeds that will be exactly out of phase with the responses of an unbalanced rotor. Modal balancing seeks to add weights which will leave other rotor modes unaffected. Also, influence coefficients can be determined by trial and error addition of weights and recording of their effects on vibration at speeds of interest. The latter method is useful for balancing rotors at other than critical speeds and for performing unified balancing beginning with the first critical speed. Finally, low-speed flexible balancing permits low-speed tests and adjustments of rotor assemblies which will not be accessible when operating in their high-speed functional configuration. The method was developed for the high pressure liquid oxygen turbopumps for the Shuttle.

Stochastic lumping analysis for linear kinetics and its application to the fluctuation relations between hierarchical kinetic networks.

PubMed

Deng, De-Ming; Chang, Cheng-Hung

2015-05-14

Conventional studies of biomolecular behaviors rely largely on the construction of kinetic schemes. Since the selection of these networks is not unique, a concern is raised whether and under which conditions hierarchical schemes can reveal the same experimentally measured fluctuating behaviors and unique fluctuation related physical properties. To clarify these questions, we introduce stochasticity into the traditional lumping analysis, generalize it from rate equations to chemical master equations and stochastic differential equations, and extract the fluctuation relations between kinetically and thermodynamically equivalent networks under intrinsic and extrinsic noises. The results provide a theoretical basis for the legitimate use of low-dimensional models in the studies of macromolecular fluctuations and, more generally, for exploring stochastic features in different levels of contracted networks in chemical and biological kinetic systems.

Mass fluctuation kinetics: Capturing stochastic effects in systems of chemical reactions through coupled mean-variance computations

NASA Astrophysics Data System (ADS)

Gómez-Uribe, Carlos A.; Verghese, George C.

2007-01-01

The intrinsic stochastic effects in chemical reactions, and particularly in biochemical networks, may result in behaviors significantly different from those predicted by deterministic mass action kinetics (MAK). Analyzing stochastic effects, however, is often computationally taxing and complex. The authors describe here the derivation and application of what they term the mass fluctuation kinetics (MFK), a set of deterministic equations to track the means, variances, and covariances of the concentrations of the chemical species in the system. These equations are obtained by approximating the dynamics of the first and second moments of the chemical master equation. Apart from needing knowledge of the system volume, the MFK description requires only the same information used to specify the MAK model, and is not significantly harder to write down or apply. When the effects of fluctuations are negligible, the MFK description typically reduces to MAK. The MFK equations are capable of describing the average behavior of the network substantially better than MAK, because they incorporate the effects of fluctuations on the evolution of the means. They also account for the effects of the means on the evolution of the variances and covariances, to produce quite accurate uncertainty bands around the average behavior. The MFK computations, although approximate, are significantly faster than Monte Carlo methods for computing first and second moments in systems of chemical reactions. They may therefore be used, perhaps along with a few Monte Carlo simulations of sample state trajectories, to efficiently provide a detailed picture of the behavior of a chemical system.

Balancing Selection in Species with Separate Sexes: Insights from Fisher’s Geometric Model

PubMed Central

Connallon, Tim; Clark, Andrew G.

2014-01-01

How common is balancing selection, and what fraction of phenotypic variance is attributable to balanced polymorphisms? Despite decades of research, answers to these questions remain elusive. Moreover, there is no clear theoretical prediction about the frequency with which balancing selection is expected to arise within a population. Here, we use an extension of Fisher’s geometric model of adaptation to predict the probability of balancing selection in a population with separate sexes, wherein polymorphism is potentially maintained by two forms of balancing selection: (1) heterozygote advantage, where heterozygous individuals at a locus have higher fitness than homozygous individuals, and (2) sexually antagonistic selection (a.k.a. intralocus sexual conflict), where the fitness of each sex is maximized by different genotypes at a locus. We show that balancing selection is common under biologically plausible conditions and that sex differences in selection or sex-by-genotype effects of mutations can each increase opportunities for balancing selection. Although heterozygote advantage and sexual antagonism represent alternative mechanisms for maintaining polymorphism, they mutually exist along a balancing selection continuum that depends on population and sex-specific parameters of selection and mutation. Sexual antagonism is the dominant mode of balancing selection across most of this continuum. PMID:24812306

Theoretical studies of solar lasers and converters

NASA Technical Reports Server (NTRS)

Heinbockel, John

1988-01-01

The geometry and setup for the n-C3F7I iodine laser are illustrated. The mathematical modeling of this system is described. The chemical kinetics are summarized. A sensitivity analysis was performed on the parameters occurring in the differential equations describing the chemical kinetics.

A unique set of micromechanics equations for high temperature metal matrix composites

NASA Technical Reports Server (NTRS)

Hopkins, D. A.; Chamis, C. C.

1985-01-01

A unique set of micromechanic equations is presented for high temperature metal matrix composites. The set includes expressions to predict mechanical properties, thermal properties and constituent microstresses for the unidirectional fiber reinforced ply. The equations are derived based on a mechanics of materials formulation assuming a square array unit cell model of a single fiber, surrounding matrix and an interphase to account for the chemical reaction which commonly occurs between fiber and matrix. A three-dimensional finite element analysis was used to perform a preliminary validation of the equations. Excellent agreement between properties predicted using the micromechanics equations and properties simulated by the finite element analyses are demonstrated. Implementation of the micromechanics equations as part of an integrated computational capability for nonlinear structural analysis of high temperature multilayered fiber composites is illustrated.

18 CFR 141.51 - FERC Form No. 714, Annual Electric Balancing Authority Area and Planning Area Report.

Code of Federal Regulations, 2014 CFR

2014-04-01

..., Annual Electric Balancing Authority Area and Planning Area Report. 141.51 Section 141.51 Conservation of...) § 141.51 FERC Form No. 714, Annual Electric Balancing Authority Area and Planning Area Report. (a) Who... Policies Act, 16 U.S.C. 2602, operating a balancing authority area, and any group of electric utilities...

SIERRA Multimechanics Module: Aria User Manual Version 4.44

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sierra Thermal /Fluid Team

2017-04-01

Aria is a Galerkin fnite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process fows via the incompressible Navier-Stokes equations specialized to a low Reynolds number ( %3C 1 ) regime. Enhanced modeling support of manufacturing processing is made possible through use of eithermore » arbitrary Lagrangian- Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newton's method with analytic or numerical sensitivities, fully-coupled Newton- Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic h -adaptivity and dynamic load balancing are some of Aria's more advanced capabilities. Aria is based upon the Sierra Framework.« less

Preliminary study of the effects of a reversible chemical reaction on gas bubble dissolution. [for space glass refining

NASA Technical Reports Server (NTRS)

Weinberg, M. C.

1982-01-01

A preliminary investigation is carried out of the effects of a reversible chemical reaction on the dissolution of an isolated, stationary gas bubble in a glass melt. The exact governing equations for the model system are formulated and analyzed. The approximate quasi-steady-state version of these equations is solved analytically, and a calculation is made of bubble dissolution rates. The results are then compared with numerical solutions obtained from the finite difference form of the exact governing equations. It is pointed out that in the microgravity condition of space, the buoyant rise of a gas bubble in a glass melt will be negligible on the time scale of most experiments. For this reason, a determination of the behavior of a stationary gas bubble in a melt is relevant for an understanding of glass refining in space.

Quantum criticality of one-dimensional multicomponent Fermi gas with strongly attractive interaction

NASA Astrophysics Data System (ADS)

He, Peng; Jiang, Yuzhu; Guan, Xiwen; He, Jinyu

2015-01-01

Quantum criticality of strongly attractive Fermi gas with SU(3) symmetry in one dimension is studied via the thermodynamic Bethe ansatz (TBA) equations. The phase transitions driven by the chemical potential μ , effective magnetic field H1, H2 (chemical potential biases) are analyzed at the quantum criticality. The phase diagram and critical fields are analytically determined by the TBA equations in the zero temperature limit. High accurate equations of state, scaling functions are also obtained analytically for the strong interacting gases. The dynamic exponent z=2 and correlation length exponent ν =1/2 read off the universal scaling form. It turns out that the quantum criticality of the three-component gases involves a sudden change of density of states of one cluster state, two or three cluster states. In general, this method can be adapted to deal with the quantum criticality of multicomponent Fermi gases with SU(N) symmetry.

The effect of velocity slip and multiple convective boundary conditions in a Darcian porous media with microorganism past a vertical stretching/shrinking sheet

NASA Astrophysics Data System (ADS)

Latiff, Nur Amalina Abdul; Yahya, Elisa; Ismail, Ahmad Izani Md.; Amirsom, Ardiana; Basir, Faisal

2017-08-01

An analysis is carried out to study the steady mixed convective boundary layer flow of a nanofluid in a Darcian porous media with microorganisms past a vertical stretching/shrinking sheet. Heat generation/absorption and chemical reaction effects are incorporated in the model. The partial differential equations are transformed into a system of ordinary differential equations by using similarity transformations generated by scaling group transformations. The transformed equations with boundary conditions are solved numerically. The effects of controlling parameters such as velocity slip, Darcy number, heat generation/absorption and chemical reaction on the skin friction factor, heat transfer, mass transfer and microorganism transfer are shown and discuss through graphs. Comparison of numerical solutions in the present study with the previous existing results in literature are made and comparison results are in very good agreement.

Predicting mesh density for adaptive modelling of the global atmosphere.

PubMed

Weller, Hilary

2009-11-28

The shallow water equations are solved using a mesh of polygons on the sphere, which adapts infrequently to the predicted future solution. Infrequent mesh adaptation reduces the cost of adaptation and load-balancing and will thus allow for more accurate mapping on adaptation. We simulate the growth of a barotropically unstable jet adapting the mesh every 12 h. Using an adaptation criterion based largely on the gradient of the vorticity leads to a mesh with around 20 per cent of the cells of a uniform mesh that gives equivalent results. This is a similar proportion to previous studies of the same test case with mesh adaptation every 1-20 min. The prediction of the mesh density involves solving the shallow water equations on a coarse mesh in advance of the locally refined mesh in order to estimate where features requiring higher resolution will grow, decay or move to. The adaptation criterion consists of two parts: that resolved on the coarse mesh, and that which is not resolved and so is passively advected on the coarse mesh. This combination leads to a balance between resolving features controlled by the large-scale dynamics and maintaining fine-scale features.

Closed-form Static Analysis with Inertia Relief and Displacement-Dependent Loads Using a MSC/NASTRAN DMAP Alter

NASA Technical Reports Server (NTRS)

Barnett, Alan R.; Widrick, Timothy W.; Ludwiczak, Damian R.

1995-01-01

Solving for the displacements of free-free coupled systems acted upon by static loads is commonly performed throughout the aerospace industry. Many times, these problems are solved using static analysis with inertia relief. This solution technique allows for a free-free static analysis by balancing the applied loads with inertia loads generated by the applied loads. For some engineering applications, the displacements of the free-free coupled system induce additional static loads. Hence, the applied loads are equal to the original loads plus displacement-dependent loads. Solving for the final displacements of such systems is commonly performed using iterative solution techniques. Unfortunately, these techniques can be time-consuming and labor-intensive. Since the coupled system equations for free-free systems with displacement-dependent loads can be written in closed-form, it is advantageous to solve for the displacements in this manner. Implementing closed-form equations in static analysis with inertia relief is analogous to implementing transfer functions in dynamic analysis. Using a MSC/NASTRAN DMAP Alter, displacement-dependent loads have been included in static analysis with inertia relief. Such an Alter has been used successfully to solve efficiently a common aerospace problem typically solved using an iterative technique.

Life Balancing -- A Better Way to Balance Large Batteries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anderson, R. Dyche; Zane, Regan; Plett, Gregory

2017-03-28

A new cell balancing technology was developed under a Department of Energy contract which merges the DC/DC converter function into cell balancing. Instead of conventional passive cell balancing technology which bypasses current through a resistor, or active cell balancing which moves current from one cell to another, with significant cost and additional inefficiencies, this concept takes variable amount of current from each cell or small group of cells and converts it to current for the low voltage system.

Solving a System of Nonlinear Algebraic Equations You Only Get Error Messages--What to Do Next?

ERIC Educational Resources Information Center

Shacham, Mordechai; Brauner, Neima

2017-01-01

Chemical engineering problems often involve the solution of systems of nonlinear algebraic equations (NLE). There are several software packages that can be used for solving NLE systems, but they may occasionally fail, especially in cases where the mathematical model contains discontinuities and/or regions where some of the functions are undefined.…

OPTIMIZATION OF COUNTERCURRENT STAGED PROCESSES.

DTIC Science & Technology

CHEMICAL ENGINEERING , OPTIMIZATION), (*DISTILLATION, OPTIMIZATION), INDUSTRIAL PRODUCTION, INDUSTRIAL EQUIPMENT, MATHEMATICAL MODELS, DIFFERENCE EQUATIONS, NONLINEAR PROGRAMMING, BOUNDARY VALUE PROBLEMS, NUMERICAL INTEGRATION

18 CFR 141.51 - FERC Form No. 714, Annual Electric Balancing Authority Area and Planning Area Report.

Code of Federal Regulations, 2010 CFR

2010-04-01

..., Annual Electric Balancing Authority Area and Planning Area Report. 141.51 Section 141.51 Conservation of...) § 141.51 FERC Form No. 714, Annual Electric Balancing Authority Area and Planning Area Report. (a) Who... Policies Act, 16 U.S.C. 2602, operating a balancing authority area, and any group of electric utilities...

18 CFR 141.51 - FERC Form No. 714, Annual Electric Balancing Authority Area and Planning Area Report.

Code of Federal Regulations, 2012 CFR

2012-04-01

..., Annual Electric Balancing Authority Area and Planning Area Report. 141.51 Section 141.51 Conservation of...) § 141.51 FERC Form No. 714, Annual Electric Balancing Authority Area and Planning Area Report. (a) Who... Policies Act, 16 U.S.C. 2602, operating a balancing authority area, and any group of electric utilities...

Balancing selection in species with separate sexes: insights from Fisher's geometric model.

PubMed

Connallon, Tim; Clark, Andrew G

2014-07-01

How common is balancing selection, and what fraction of phenotypic variance is attributable to balanced polymorphisms? Despite decades of research, answers to these questions remain elusive. Moreover, there is no clear theoretical prediction about the frequency with which balancing selection is expected to arise within a population. Here, we use an extension of Fisher's geometric model of adaptation to predict the probability of balancing selection in a population with separate sexes, wherein polymorphism is potentially maintained by two forms of balancing selection: (1) heterozygote advantage, where heterozygous individuals at a locus have higher fitness than homozygous individuals, and (2) sexually antagonistic selection (a.k.a. intralocus sexual conflict), where the fitness of each sex is maximized by different genotypes at a locus. We show that balancing selection is common under biologically plausible conditions and that sex differences in selection or sex-by-genotype effects of mutations can each increase opportunities for balancing selection. Although heterozygote advantage and sexual antagonism represent alternative mechanisms for maintaining polymorphism, they mutually exist along a balancing selection continuum that depends on population and sex-specific parameters of selection and mutation. Sexual antagonism is the dominant mode of balancing selection across most of this continuum. Copyright © 2014 by the Genetics Society of America.

Two-Phase Item Selection Procedure for Flexible Content Balancing in CAT

ERIC Educational Resources Information Center

Cheng, Ying; Chang, Hua-Hua; Yi, Qing

2007-01-01

Content balancing is an important issue in the design and implementation of computerized adaptive testing (CAT). Content-balancing techniques that have been applied in fixed content balancing, where the number of items from each content area is fixed, include constrained CAT (CCAT), the modified multinomial model (MMM), modified constrained CAT…

18 CFR 141.51 - FERC Form No. 714, Annual Electric Balancing Authority Area and Planning Area Report.

Code of Federal Regulations, 2011 CFR

2011-04-01

..., Annual Electric Balancing Authority Area and Planning Area Report. 141.51 Section 141.51 Conservation of...) § 141.51 FERC Form No. 714, Annual Electric Balancing Authority Area and Planning Area Report. (a) Who... Policies Act, 16 U.S.C. 2602, operating a balancing authority area, and any group of electric utilities...

Effects of heat and mass transfer on unsteady boundary layer flow of a chemical reacting Casson fluid

NASA Astrophysics Data System (ADS)

Khan, Kashif Ali; Butt, Asma Rashid; Raza, Nauman

2018-03-01

In this study, an endeavor is to observe the unsteady two-dimensional boundary layer flow with heat and mass transfer behavior of Casson fluid past a stretching sheet in presence of wall mass transfer by ignoring the effects of viscous dissipation. Chemical reaction of linear order is also invoked here. Similarity transformation have been applied to reduce the governing equations of momentum, energy and mass into non-linear ordinary differential equations; then Homotopy analysis method (HAM) is applied to solve these equations. Numerical work is done carefully with a well-known software MATHEMATICA for the examination of non-dimensional velocity, temperature, and concentration profiles, and then results are presented graphically. The skin friction (viscous drag), local Nusselt number (rate of heat transfer) and Sherwood number (rate of mass transfer) are discussed and presented in tabular form for several factors which are monitoring the flow model.

Comparison of soft tissue balancing, femoral component rotation, and joint line change between the gap balancing and measured resection techniques in primary total knee arthroplasty: A meta-analysis.

PubMed

Moon, Young-Wan; Kim, Hyun-Jung; Ahn, Hyeong-Sik; Park, Chan-Deok; Lee, Dae-Hee

2016-09-01

This meta-analysis was designed to compare the accuracy of soft tissue balancing and femoral component rotation as well as change in joint line positions, between the measured resection and gap balancing techniques in primary total knee arthroplasty. Studies were included in the meta-analysis if they compared soft tissue balancing and/or radiologic outcomes in patients who underwent total knee arthroplasty with the gap balancing and measured resection techniques. Comparisons included differences in flexion/extension, medial/lateral flexion, and medial/lateral extension gaps (LEGs), femoral component rotation, and change in joint line positions. Finally, 8 studies identified via electronic (MEDLINE, EMBASE, and the Cochrane Library) and manual searches were included. All 8 studies showed a low risk of selection bias and provided detailed demographic data. There was some inherent heterogeneity due to uncontrolled bias, because all included studies were observational comparison studies. The pooled mean difference in gap differences between the gap balancing and measured resection techniques did not differ significantly (-0.09 mm, 95% confidence interval [CI]: -0.40 to +0.21 mm; P = 0.55), except that the medial/LEG difference was 0.58 mm greater for measured resection than gap balancing (95% CI: -1.01 to -0.15 mm; P = 0.008). Conversely, the pooled mean difference in femoral component external rotation (0.77°, 95% CI: 0.18° to 1.35°; P = 0.01) and joint line change (1.17 mm, 95% CI: 0.82 to 1.52 mm; P < 0.001) were significantly greater for the gap balancing than the measured resection technique. The gap balancing and measured resection techniques showed similar soft tissue balancing, except for medial/LEG difference. However, the femoral component was more externally rotated and the joint line was more elevated with gap balancing than measured resection. These differences were minimal (around 1 mm or 1°) and therefore may have little effect on the biomechanics of the knee joint. This suggests that the gap balancing and measured resection techniques are not mutually exclusive.

High Speed Balancing Applied to the T700 Engine

NASA Technical Reports Server (NTRS)

Walton, J.; Lee, C.; Martin, M.

1989-01-01

The work performed under Contracts NAS3-23929 and NAS3-24633 is presented. MTI evaluated the feasibility of high-speed balancing for both the T700 power turbine rotor and the compressor rotor. Modifications were designed for the existing Corpus Christi Army Depot (CCAD) T53/T55 high-speed balancing system for balancing T700 power turbine rotors. Tests conducted under these contracts included a high-speed balancing evaluation for T700 power turbines in the Army/NASA drivetrain facility at MTI. The high-speed balancing tests demonstrated the reduction of vibration amplitudes at operating speed for both low-speed balanced and non-low-speed balanced T700 power turbines. In addition, vibration data from acceptance tests of T53, T55, and T700 engines were analyzed and a vibration diagnostic procedure developed.

T55 power turbine rotor multiplane-multispeed balancing study

NASA Technical Reports Server (NTRS)

Martin, M. R.

1982-01-01

A rotordynamic analysis of the T55-L-11C engine was used to evaluate the balancing needs of the power turbine and to optimize the balancing procedure. As a result, recommendations were made for implementation of a multiplane-multispeed balancing plan. Precision collars for the attachment of trial weights to a slender rotor were designed enabling demonstration balancing on production hardware. The quality of the balance was then evaluated by installing a high speed balanced power turbine in an engine and running in a test cell at the Corpus Christi Army depot. The engine used had been tested prior to the turbine changeout and showed acceptable overall vibration levels for the engine were significantly reduced, demonstrating the ability of multiplane-multispeed balancing to control engine vibration.

Mass balancing of hollow fan blades

NASA Technical Reports Server (NTRS)

Kielb, R. E.

1986-01-01

A typical section model is used to analytically investigate the effect of mass balancing as applied to hollow, supersonic fan blades. A procedure to determine the best configuration of an internal balancing mass to provide flutter alleviation is developed. This procedure is applied to a typical supersonic shroudless fan blade which is unstable in both the solid configuration and when it is hollow with no balancing mass. The addition of an optimized balancing mass is shown to stabilize the blade at the design condition.

Acid-Base Chemistry According to Robert Boyle: Chemical Reactions in Words as well as Symbols

ERIC Educational Resources Information Center

Goodney, David E.

2006-01-01

Examples of acid-base reactions from Robert Boyle's "The Sceptical Chemist" are used to illustrate the rich information content of chemical equations. Boyle required lengthy passages of florid language to describe the same reaction that can be done quite simply with a chemical equation. Reading or hearing the words, however, enriches the student's…

Similarity Laws for the Lines of Ideal Free Energy and Chemical Potential in Supercritical Fluids.

PubMed

Apfelbaum, E M; Vorob'ev, V S

2017-09-21

We have found the curves on the density-temperature plane, along which the values of free energy and chemical potential correspond to ideal gas quantities. At first, we have applied the van der Waals equation to construct them and to derive their equations. Then we have shown that the same lines for real substances (Ar, N 2 , CH 4 , SF 6 , H 2 , H 2 O) and for the model Lennard-Jones system constructed on the basis of the measurements data and calculations are well matched with the derived equations. The validity and deviations from the obtained similarity laws are discussed.

Combined data preprocessing and multivariate statistical analysis characterizes fed-batch culture of mouse hybridoma cells for rational medium design.

PubMed

Selvarasu, Suresh; Kim, Do Yun; Karimi, Iftekhar A; Lee, Dong-Yup

2010-10-01

We present an integrated framework for characterizing fed-batch cultures of mouse hybridoma cells producing monoclonal antibody (mAb). This framework systematically combines data preprocessing, elemental balancing and statistical analysis technique. Initially, specific rates of cell growth, glucose/amino acid consumptions and mAb/metabolite productions were calculated via curve fitting using logistic equations, with subsequent elemental balancing of the preprocessed data indicating the presence of experimental measurement errors. Multivariate statistical analysis was then employed to understand physiological characteristics of the cellular system. The results from principal component analysis (PCA) revealed three major clusters of amino acids with similar trends in their consumption profiles: (i) arginine, threonine and serine, (ii) glycine, tyrosine, phenylalanine, methionine, histidine and asparagine, and (iii) lysine, valine and isoleucine. Further analysis using partial least square (PLS) regression identified key amino acids which were positively or negatively correlated with the cell growth, mAb production and the generation of lactate and ammonia. Based on these results, the optimal concentrations of key amino acids in the feed medium can be inferred, potentially leading to an increase in cell viability and productivity, as well as a decrease in toxic waste production. The study demonstrated how the current methodological framework using multivariate statistical analysis techniques can serve as a potential tool for deriving rational medium design strategies. Copyright © 2010 Elsevier B.V. All rights reserved.

18 CFR 141.51 - FERC Form No. 714, Annual Electric Balancing Authority Area and Planning Area Report.

Code of Federal Regulations, 2013 CFR

2013-04-01

..., Annual Electric Balancing Authority Area and Planning Area Report. 141.51 Section 141.51 Conservation of...) § 141.51 FERC Form No. 714, Annual Electric Balancing Authority Area and Planning Area Report. (a) Who... Policies Act, 16 U.S.C. 2602, operating a balancing authority area, and any group of electric utilities...

Comparison of soft tissue balancing, femoral component rotation, and joint line change between the gap balancing and measured resection techniques in primary total knee arthroplasty

PubMed Central

Moon, Young-Wan; Kim, Hyun-Jung; Ahn, Hyeong-Sik; Park, Chan-Deok; Lee, Dae-Hee

2016-01-01

Abstract Background: This meta-analysis was designed to compare the accuracy of soft tissue balancing and femoral component rotation as well as change in joint line positions, between the measured resection and gap balancing techniques in primary total knee arthroplasty. Methods: Studies were included in the meta-analysis if they compared soft tissue balancing and/or radiologic outcomes in patients who underwent total knee arthroplasty with the gap balancing and measured resection techniques. Comparisons included differences in flexion/extension, medial/lateral flexion, and medial/lateral extension gaps (LEGs), femoral component rotation, and change in joint line positions. Finally, 8 studies identified via electronic (MEDLINE, EMBASE, and the Cochrane Library) and manual searches were included. All 8 studies showed a low risk of selection bias and provided detailed demographic data. There was some inherent heterogeneity due to uncontrolled bias, because all included studies were observational comparison studies. Results: The pooled mean difference in gap differences between the gap balancing and measured resection techniques did not differ significantly (−0.09 mm, 95% confidence interval [CI]: −0.40 to +0.21 mm; P = 0.55), except that the medial/LEG difference was 0.58 mm greater for measured resection than gap balancing (95% CI: −1.01 to −0.15 mm; P = 0.008). Conversely, the pooled mean difference in femoral component external rotation (0.77°, 95% CI: 0.18° to 1.35°; P = 0.01) and joint line change (1.17 mm, 95% CI: 0.82 to 1.52 mm; P < 0.001) were significantly greater for the gap balancing than the measured resection technique. Conclusion: The gap balancing and measured resection techniques showed similar soft tissue balancing, except for medial/LEG difference. However, the femoral component was more externally rotated and the joint line was more elevated with gap balancing than measured resection. These differences were minimal (around 1 mm or 1°) and therefore may have little effect on the biomechanics of the knee joint. This suggests that the gap balancing and measured resection techniques are not mutually exclusive. PMID:27684862

Review and analysis of high temperature chemical reactions and the effect of non-equilibrium conditions

NASA Technical Reports Server (NTRS)

Johnson, R. E.

1986-01-01

Chemical reactions at high temperatures have been considered extensively because of their importance to the heating effects on re-entry of space vehicles. Data on these reactions however, are not abundant and even when found there are discrepancies in data collected by various investigators. In particular, data for recombination reactions are calculated from the dissociation reactions or vice versa through the equilibrium constant. This involves the use of the principle of detailed balancing. This principle is discussed in reference to conditions where it is valid as well as to those where it is not valid. Related topics that merit further study or for which applicable information was available are briefly mentioned in an appendix to this report.

The Effect of MHD on Free Convection with Periodic Temperature and Concentration in the Presence of Thermal Radiation and Chemical Reaction

NASA Astrophysics Data System (ADS)

Zigta, B.; Koya, P. R.

2017-12-01

This paper studies the effect of magneto hydrodynamics on unsteady free convection between a pair of infinite vertical Couette plates. The temperature of the plates and concentration between the plates vary with time. Convection between the plates is considered in the presence of thermal radiation and chemical reaction. The solution is obtained using perturbation techniques. These techniques are used to transform nonlinear coupled partial differential equations to a system of ordinary differential equations. The resulting equations are solved analytically. The solution is expressed in terms of power series with some small parameter. The effect of various parameters, viz., velocity, temperature and concentration, has been discussed. Mat lab code simulation study is carried out to support the theoretical results. The result shows that as the thermal radiation parameter R increases, the temperature decreases near the moving porous plate while it approaches to a zero in the region close to the boundary layer of the stationary plate. Moreover, as the modified Grashof number, i.e., based on concentration difference, increases, the velocity of the fluid flow increases hence the concentration decreases. An increase in both the chemical reaction parameter and Schmidt number results in decreased concentration.

Nonlinear magnetoacoustic wave propagation with chemical reactions

NASA Astrophysics Data System (ADS)

Margulies, Timothy Scott

2002-11-01

The magnetoacoustic problem with an application to sound wave propagation through electrically conducting fluids such as the ocean in the Earth's magnetic field, liquid metals, or plasmas has been addressed taking into account several simultaneous chemical reactions. Using continuum balance equations for the total mass, linear momentum, energy; as well as Maxwell's electrodynamic equations, a nonlinear beam equation has been developed to generalize the Khokhlov-Zabolotskaya-Kuznetsov (KZK) equation for a fluid with linear viscosity but nonlinear and diffraction effects. Thermodynamic parameters are used and not tailored to only an adiabatic fluid case. The chemical kinetic equations build on a relaxing media approach presented, for example, by K. Naugolnukh and L. Ostrovsky [Nonlinear Wave Processes in Acoustics (Cambridge Univ. Press, Cambridge, 1998)] for a linearized single reaction and thermodynamic pressure equation of state. Approximations for large and small relaxation times and for magnetohydrodynamic parameters [Korsunskii, Sov. Phys. Acoust. 36 (1990)] are examined. Additionally, Cattaneo's equation for heat conduction and its generalization for a memory process rather than a Fourier's law are taken into account. It was introduced for the heat flux depends on the temperature gradient at an earlier time to generate heat pulses of finite speed.

Remote monitoring of environmental particulate pollution - A problem in inversion of first-kind integral equations

NASA Technical Reports Server (NTRS)

Fymat, A. L.

1975-01-01

The determination of the microstructure, chemical nature, and dynamical evolution of scattering particulates in the atmosphere is considered. A description is given of indirect sampling techniques which can circumvent most of the difficulties associated with direct sampling techniques, taking into account methods based on scattering, extinction, and diffraction of an incident light beam. Approaches for reconstructing the particulate size distribution from the direct and the scattered radiation are discussed. A new method is proposed for determining the chemical composition of the particulates and attention is given to the relevance of methods of solution involving first kind Fredholm integral equations.

Chemical Principles Revisited: Annotating Reaction Equations.

ERIC Educational Resources Information Center

Tykodi, R. J.

1987-01-01

Urges chemistry teachers to have students annotate the chemical reactions in aqueous-solutions that they see in their textbooks and witness in the laboratory. Suggests this will help students recognize the reaction type more readily. Examples are given for gas formation, precipitate formation, redox interaction, acid-base interaction, and…

An applicational process for dynamic balancing of turbomachinery shafting

NASA Technical Reports Server (NTRS)

Verhoff, Vincent G.

1990-01-01

The NASA Lewis Research Center has developed and implemented a time-efficient methodology for dynamically balancing turbomachinery shafting. This methodology minimizes costly facility downtime by using a balancing arbor (mandrel) that simulates the turbomachinery (rig) shafting. The need for precision dynamic balancing of turbomachinery shafting and for a dynamic balancing methodology is discussed in detail. Additionally, the inherent problems (and their causes and effects) associated with unbalanced turbomachinery shafting as a function of increasing shaft rotational speeds are discussed. Included are the design criteria concerning rotor weight differentials for rotors made of different materials that have similar parameters and shafting. The balancing methodology for applications where rotor replaceability is a requirement is also covered. This report is intended for use as a reference when designing, fabricating, and troubleshooting turbomachinery shafting.

Analytical considerations and dimensionless analysis for a description of particle interactions in high pressure processes

NASA Astrophysics Data System (ADS)

Rauh, Cornelia; Delgado, Antonio

2010-12-01

High pressures of up to several hundreds of MPa are utilized in a wide range of applications in chemical, bio-, and food engineering, aiming at selective control of (bio-)chemical reactions. Non-uniformity of process conditions may threaten the safety and quality of the resulting products because processing conditions such as pressure, temperature, and treatment history are crucial for the course of (bio-)chemical reactions. Therefore, thermofluid-dynamical phenomena during the high pressure process have to be examined, and numerical tools to predict process uniformity and to optimize the processes have to be developed. Recently applied mathematical models and numerical simulations of laboratory and industrial scale high pressure processes investigating the mentioned crucial phenomena are based on continuum balancing models of thermofluid dynamics. Nevertheless, biological systems are complex fluids containing the relevant (bio-)chemical compounds (enzymes and microorganisms). These compounds are particles that interact with the surrounding medium and between each other. This contribution deals with thermofluid-dynamical interactions of the relevant particulate (bio-)chemical compounds (enzymes and microorganisms) with the surrounding fluid. By consideration of characteristic time and length scales and particle forces, the motion of the (bio-)chemical compounds is characterized.

Buoyancy effects on the radiative magneto Micropolar nanofluid flow with double stratification, activation energy and binary chemical reaction.

PubMed

Ramzan, M; Ullah, Naeem; Chung, Jae Dong; Lu, Dianchen; Farooq, Umer

2017-10-10

A mathematical model has been developed to examine the magneto hydrodynamic micropolar nanofluid flow with buoyancy effects. Flow analysis is carried out in the presence of nonlinear thermal radiation and dual stratification. The impact of binary chemical reaction with Arrhenius activation energy is also considered. Apposite transformations are engaged to transform nonlinear partial differential equations to differential equations with high nonlinearity. Resulting nonlinear system of differential equations is solved by differential solver method in Maple software which uses Runge-Kutta fourth and fifth order technique (RK45). To authenticate the obtained results, a comparison with the preceding article is also made. The evaluations are executed graphically for numerous prominent parameters versus velocity, micro rotation component, temperature, and concentration distributions. Tabulated numerical calculations of Nusselt and Sherwood numbers with respective well-argued discussions are also presented. Our findings illustrate that the angular velocity component declines for opposing buoyancy forces and enhances for aiding buoyancy forces by changing the micropolar parameter. It is also found that concentration profile increases for higher values of chemical reaction parameter, whereas it diminishes for growing values of solutal stratification parameter.

Chemical Equilibrium and Polynomial Equations: Beware of Roots.

ERIC Educational Resources Information Center

Smith, William R.; Missen, Ronald W.

1989-01-01

Describes two easily applied mathematical theorems, Budan's rule and Rolle's theorem, that in addition to Descartes's rule of signs and intermediate-value theorem, are useful in chemical equilibrium. Provides examples that illustrate the use of all four theorems. Discusses limitations of the polynomial equation representation of chemical…

Supersonic flow of chemically reacting gas-particle mixtures. Volume 1: A theoretical analysis and development of the numerical solution

NASA Technical Reports Server (NTRS)

Penny, M. M.; Smith, S. D.; Anderson, P. G.; Sulyma, P. R.; Pearson, M. L.

1976-01-01

A numerical solution for chemically reacting supersonic gas-particle flows in rocket nozzles and exhaust plumes was described. The gas-particle flow solution is fully coupled in that the effects of particle drag and heat transfer between the gas and particle phases are treated. Gas and particles exchange momentum via the drag exerted on the gas by the particles. Energy is exchanged between the phases via heat transfer (convection and/or radiation). Thermochemistry calculations (chemical equilibrium, frozen or chemical kinetics) were shown to be uncoupled from the flow solution and, as such, can be solved separately. The solution to the set of governing equations is obtained by utilizing the method of characteristics. The equations cast in characteristic form are shown to be formally the same for ideal, frozen, chemical equilibrium and chemical non-equilibrium reacting gas mixtures. The particle distribution is represented in the numerical solution by a finite distribution of particle sizes.

Estimation of mean response via effective balancing score

PubMed Central

Hu, Zonghui; Follmann, Dean A.; Wang, Naisyin

2015-01-01

Summary We introduce effective balancing scores for estimation of the mean response under a missing at random mechanism. Unlike conventional balancing scores, the effective balancing scores are constructed via dimension reduction free of model specification. Three types of effective balancing scores are introduced: those that carry the covariate information about the missingness, the response, or both. They lead to consistent estimation with little or no loss in efficiency. Compared to existing estimators, the effective balancing score based estimator relieves the burden of model specification and is the most robust. It is a near-automatic procedure which is most appealing when high dimensional covariates are involved. We investigate both the asymptotic and the numerical properties, and demonstrate the proposed method in a study on Human Immunodeficiency Virus disease. PMID:25797955

An Evaluation of a Teaching Intervention to Promote Students' Ability to Use Multiple Levels of Representation when Describing and Explaining Chemical Reactions

ERIC Educational Resources Information Center

Chandrasegaran, A. L.; Treagust, David F.; Mocerino, Mauro

2008-01-01

Students are generally known to memorise and regurgitate chemical equations without sufficient understanding of the changes that occur at the particulate level. In addition, they often fail to recognise the significance of the symbols and formulas that are used to represent chemical reactions. This article describes an evaluation of the ability of…

A realistic chemical system presenting a self-organized critical behavior

NASA Astrophysics Data System (ADS)

Gaveau, Bernard; Latrémolière, Daniel; Moreau, Michel

2003-04-01

We consider a realistic example of chemical system which presents self-organized criticality. We can study the kinetic equations analytically, and show that the conditions for self-organized criticality are satisfied. We find power relaxation laws for certain variables near the critical state, confirming the self-organized critical behavior.

Model reduction for stochastic chemical systems with abundant species

DOE Office of Scientific and Technical Information (OSTI.GOV)

Smith, Stephen; Cianci, Claudia; Grima, Ramon

2015-12-07

Biochemical processes typically involve many chemical species, some in abundance and some in low molecule numbers. We first identify the rate constant limits under which the concentrations of a given set of species will tend to infinity (the abundant species) while the concentrations of all other species remains constant (the non-abundant species). Subsequently, we prove that, in this limit, the fluctuations in the molecule numbers of non-abundant species are accurately described by a hybrid stochastic description consisting of a chemical master equation coupled to deterministic rate equations. This is a reduced description when compared to the conventional chemical master equationmore » which describes the fluctuations in both abundant and non-abundant species. We show that the reduced master equation can be solved exactly for a number of biochemical networks involving gene expression and enzyme catalysis, whose conventional chemical master equation description is analytically impenetrable. We use the linear noise approximation to obtain approximate expressions for the difference between the variance of fluctuations in the non-abundant species as predicted by the hybrid approach and by the conventional chemical master equation. Furthermore, we show that surprisingly, irrespective of any separation in the mean molecule numbers of various species, the conventional and hybrid master equations exactly agree for a class of chemical systems.« less

Model reduction for stochastic chemical systems with abundant species.

PubMed

Smith, Stephen; Cianci, Claudia; Grima, Ramon

2015-12-07

Biochemical processes typically involve many chemical species, some in abundance and some in low molecule numbers. We first identify the rate constant limits under which the concentrations of a given set of species will tend to infinity (the abundant species) while the concentrations of all other species remains constant (the non-abundant species). Subsequently, we prove that, in this limit, the fluctuations in the molecule numbers of non-abundant species are accurately described by a hybrid stochastic description consisting of a chemical master equation coupled to deterministic rate equations. This is a reduced description when compared to the conventional chemical master equation which describes the fluctuations in both abundant and non-abundant species. We show that the reduced master equation can be solved exactly for a number of biochemical networks involving gene expression and enzyme catalysis, whose conventional chemical master equation description is analytically impenetrable. We use the linear noise approximation to obtain approximate expressions for the difference between the variance of fluctuations in the non-abundant species as predicted by the hybrid approach and by the conventional chemical master equation. Furthermore, we show that surprisingly, irrespective of any separation in the mean molecule numbers of various species, the conventional and hybrid master equations exactly agree for a class of chemical systems.

A new interpretation of the Keller-Segel model based on multiphase modelling.

PubMed

Byrne, Helen M; Owen, Markus R

2004-12-01

In this paper an alternative derivation and interpretation are presented of the classical Keller-Segel model of cell migration due to random motion and chemotaxis. A multiphase modelling approach is used to describe how a population of cells moves through a fluid containing a diffusible chemical to which the cells are attracted. The cells and fluid are viewed as distinct components of a two-phase mixture. The principles of mass and momentum balance are applied to each phase, and appropriate constitutive laws imposed to close the resulting equations. A key assumption here is that the stress in the cell phase is influenced by the concentration of the diffusible chemical. By restricting attention to one-dimensional cartesian geometry we show how the model reduces to a pair of nonlinear coupled partial differential equations for the cell density and the chemical concentration. These equations may be written in the form of the Patlak-Keller-Segel model, naturally including density-dependent nonlinearities in the cell motility coefficients. There is a direct relationship between the random motility and chemotaxis coefficients, both depending in an inter-related manner on the chemical concentration. We suggest that this may explain why many chemicals appear to stimulate both chemotactic and chemokinetic responses in cell populations. After specialising our model to describe slime mold we then show how the functional form of the chemical potential that drives cell locomotion influences the ability of the system to generate spatial patterns. The paper concludes with a summary of the key results and a discussion of avenues for future research.

Rapid computation of chemical equilibrium composition - An application to hydrocarbon combustion

NASA Technical Reports Server (NTRS)

Erickson, W. D.; Prabhu, R. K.

1986-01-01

A scheme for rapidly computing the chemical equilibrium composition of hydrocarbon combustion products is derived. A set of ten governing equations is reduced to a single equation that is solved by the Newton iteration method. Computation speeds are approximately 80 times faster than the often used free-energy minimization method. The general approach also has application to many other chemical systems.

Adaptive Load-Balancing Algorithms Using Symmetric Broadcast Networks

NASA Technical Reports Server (NTRS)

Das, Sajal K.; Biswas, Rupak; Chancellor, Marisa K. (Technical Monitor)

1997-01-01

In a distributed-computing environment, it is important to ensure that the processor workloads are adequately balanced. Among numerous load-balancing algorithms, a unique approach due to Dam and Prasad defines a symmetric broadcast network (SBN) that provides a robust communication pattern among the processors in a topology-independent manner. In this paper, we propose and analyze three novel SBN-based load-balancing algorithms, and implement them on an SP2. A thorough experimental study with Poisson-distributed synthetic loads demonstrates that these algorithms are very effective in balancing system load while minimizing processor idle time. They also compare favorably with several other existing load-balancing techniques. Additional experiments performed with real data demonstrate that the SBN approach is effective in adaptive computational science and engineering applications where dynamic load balancing is extremely crucial.

Deterministic modelling and stochastic simulation of biochemical pathways using MATLAB.

PubMed

Ullah, M; Schmidt, H; Cho, K H; Wolkenhauer, O

2006-03-01

The analysis of complex biochemical networks is conducted in two popular conceptual frameworks for modelling. The deterministic approach requires the solution of ordinary differential equations (ODEs, reaction rate equations) with concentrations as continuous state variables. The stochastic approach involves the simulation of differential-difference equations (chemical master equations, CMEs) with probabilities as variables. This is to generate counts of molecules for chemical species as realisations of random variables drawn from the probability distribution described by the CMEs. Although there are numerous tools available, many of them free, the modelling and simulation environment MATLAB is widely used in the physical and engineering sciences. We describe a collection of MATLAB functions to construct and solve ODEs for deterministic simulation and to implement realisations of CMEs for stochastic simulation using advanced MATLAB coding (Release 14). The program was successfully applied to pathway models from the literature for both cases. The results were compared to implementations using alternative tools for dynamic modelling and simulation of biochemical networks. The aim is to provide a concise set of MATLAB functions that encourage the experimentation with systems biology models. All the script files are available from www.sbi.uni-rostock.de/ publications_matlab-paper.html.

Laser Balancing

NASA Technical Reports Server (NTRS)

1981-01-01

Mechanical Technology, Incorporated developed a fully automatic laser machining process that allows more precise balancing removes metal faster, eliminates excess metal removal and other operator induced inaccuracies, and provides significant reduction in balancing time. Manufacturing costs are reduced as a result.

Load Balancing in Stochastic Networks: Algorithms, Analysis, and Game Theory

DTIC Science & Technology

2014-04-16

SECURITY CLASSIFICATION OF: The classic randomized load balancing model is the so-called supermarket model, which describes a system in which...P.O. Box 12211 Research Triangle Park, NC 27709-2211 mean-field limits, supermarket model, thresholds, game, randomized load balancing REPORT...balancing model is the so-called supermarket model, which describes a system in which customers arrive to a service center with n parallel servers according

Nonuniformity of the chemical composition of a capillary discharge plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kocharyan, A. E.; Bobrova, N. A.; Sasorov, P. V.

A steady-state distribution of the concentration of two ion species in a capillary discharge plasma is studied using MHD equations for a plasma with a spatially nonuniform, time-dependent chemical composition. In our case, the set of equations is significantly simplified because of the steady-state character and symmetry of the problem. Even with such simplification, however, some results could be obtained only by numerical integration. The factors affecting the distribution of heavy ions are studied. It is shown that the distribution of the heavy impurity over the discharge cross section can be much more nonuniform than the distribution of the mainmore » component (hydrogen). A simple criterion for such a nonuniformity is obtained.« less

Numerical Simulation of the Detonation of Condensed Explosives

NASA Astrophysics Data System (ADS)

Wang, Cheng; Ye, Ting; Ning, Jianguo

Detonation process of a condensed explosive was simulated using a finite difference method. Euler equations were applied to describe the detonation flow field, an ignition and growth model for the chemical reaction and Jones-Wilkins-Lee (JWL) equations of state for the state of explosives and detonation products. Based on the simple mixture rule that assumes the reacting explosives to be a mixture of the reactant and product components, 1D and 2D codes were developed to simulate the detonation process of high explosive PBX9404. The numerical results are in good agreement with the experimental results, which demonstrates that the finite difference method, mixture rule and chemical reaction proposed in this paper are adequate and feasible.

Balancing Vanguard Satellites

NASA Technical Reports Server (NTRS)

Simkovich, A.; Baumann, Robert C.

1961-01-01

The Vanguard satellites and component parts were balanced within the specified limits by using a Gisholt Type-S balancer in combination with a portable International Research and Development vibration analyzer and filter, with low-frequency pickups. Equipment and procedures used for balancing are described; and the determination of residual imbalance is accomplished by two methods: calculation, and graphical interpretation. Between-the-bearings balancing is recommended for future balancing of payloads.

Corrigendum to "Processes and time scales of magmatic evolution as revealed by Fe-Mg chemical and isotopic zoning in natural olivines" [Geochim. Cosmochim. Acta 154 (2015) 130-150

NASA Astrophysics Data System (ADS)

Oeser, Martin; Dohmen, Ralf; Horn, Ingo; Schuth, Stephan; Weyer, Stefan

2018-05-01

The authors regret that equations EA.4 and EA.5 in the Electronic Annex were incomplete. Please see the new, corrected version of the Electronic Annex for the complete formulations of these equations. Accordingly, the correct formulation of Eq. (2) on page 132 is as follows:

Chemotaxis and auto-chemotaxis of self-propelling artificial droplet swimmers

NASA Astrophysics Data System (ADS)

Jin, Chenyu; Krueger, Carsten; Maass, Corinna

Chemotaxis and auto-chemotaxis are key mechanisms in the dynamics of micro-organisms, e.g. in the acquisition of nutrients and in the communication between individuals, influencing the collective behavior. However, chemical signalling and the natural environment of biological swimmers are generally complex, making them hard to access analytically. Simple experimental systems showing similar features could provide vital insights. We present such a swimmer system, as well as controlled assays to study chemotactic effects quantitatively and reproducibly. In our experiments, we let auto-chemotactic droplet swimmers pass through bifurcating microfluidic channels and record anticorrelations between the branch choices of consecutive droplets. We present an analytical model based on balancing stochastic forces versus a diffusing chemical gradient matching the experimental data. supported by the DFG SPP 1726 ''Microswimmers'' and the MaxSynBio network.

Enhancing adaptive sparse grid approximations and improving refinement strategies using adjoint-based a posteriori error estimates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jakeman, J.D., E-mail: jdjakem@sandia.gov; Wildey, T.

2015-01-01

In this paper we present an algorithm for adaptive sparse grid approximations of quantities of interest computed from discretized partial differential equations. We use adjoint-based a posteriori error estimates of the physical discretization error and the interpolation error in the sparse grid to enhance the sparse grid approximation and to drive adaptivity of the sparse grid. Utilizing these error estimates provides significantly more accurate functional values for random samples of the sparse grid approximation. We also demonstrate that alternative refinement strategies based upon a posteriori error estimates can lead to further increases in accuracy in the approximation over traditional hierarchicalmore » surplus based strategies. Throughout this paper we also provide and test a framework for balancing the physical discretization error with the stochastic interpolation error of the enhanced sparse grid approximation.« less

Enhancing adaptive sparse grid approximations and improving refinement strategies using adjoint-based a posteriori error estimates

DOE PAGES

Jakeman, J. D.; Wildey, T.

2015-01-01

In this paper we present an algorithm for adaptive sparse grid approximations of quantities of interest computed from discretized partial differential equations. We use adjoint-based a posteriori error estimates of the interpolation error in the sparse grid to enhance the sparse grid approximation and to drive adaptivity. We show that utilizing these error estimates provides significantly more accurate functional values for random samples of the sparse grid approximation. We also demonstrate that alternative refinement strategies based upon a posteriori error estimates can lead to further increases in accuracy in the approximation over traditional hierarchical surplus based strategies. Throughout this papermore » we also provide and test a framework for balancing the physical discretization error with the stochastic interpolation error of the enhanced sparse grid approximation.« less

Numerical Solution of the Extended Nernst-Planck Model.

PubMed

Samson; Marchand

1999-07-01

The main features of a numerical model aiming at predicting the drift of ions in an electrolytic solution upon a chemical potential gradient are presented. The mechanisms of ionic diffusion are described by solving the extended Nernst-Planck system of equations. The electrical coupling between the various ionic fluxes is accounted for by the Poisson equation. Furthermore, chemical activity effects are considered in the model. The whole system of nonlinear equations is solved using the finite-element method. Results yielded by the model for simple test cases are compared to those obtained using an analytical solution. Applications of the model to more complex problems are also presented and discussed. Copyright 1999 Academic Press.

Nonequilibrium viscous flow over Jovian entry probes at high altitudes

NASA Technical Reports Server (NTRS)

Kumar, A.; Szema, K. Y.; Tiwari, S. N.

1979-01-01

The viscous chemical nonequilibrium flow around a Jovian entry body is investigated at high altitudes using two different methods. First method is only for the stagnation region and integrates the full Navier-Stokes equations from the body surface to the freestream. The second method uses viscous shock layer equations between the body surface and the shock. Due to low Reynolds numbers, both methods use surface slip boundary conditions and the second method also uses shock slip boundary conditions. The results of the two methods are compared at the stagnation point. It is found that the entire shock layer is under chemical nonequilibrium at higher altitudes and that the slip boundary conditions are important at these altitudes.

A time-accurate algorithm for chemical non-equilibrium viscous flows at all speeds

NASA Technical Reports Server (NTRS)

Shuen, J.-S.; Chen, K.-H.; Choi, Y.

1992-01-01

A time-accurate, coupled solution procedure is described for the chemical nonequilibrium Navier-Stokes equations over a wide range of Mach numbers. This method employs the strong conservation form of the governing equations, but uses primitive variables as unknowns. Real gas properties and equilibrium chemistry are considered. Numerical tests include steady convergent-divergent nozzle flows with air dissociation/recombination chemistry, dump combustor flows with n-pentane-air chemistry, nonreacting flow in a model double annular combustor, and nonreacting unsteady driven cavity flows. Numerical results for both the steady and unsteady flows demonstrate the efficiency and robustness of the present algorithm for Mach numbers ranging from the incompressible limit to supersonic speeds.

Magnetohydrodynamic dissipative flow across the slendering stretching sheet with temperature dependent variable viscosity

NASA Astrophysics Data System (ADS)

Jayachandra Babu, M.; Sandeep, N.; Ali, M. E.; Nuhait, Abdullah O.

The boundary layer flow across a slendering stretching sheet has gotten awesome consideration due to its inexhaustible pragmatic applications in nuclear reactor technology, acoustical components, chemical and manufacturing procedures, for example, polymer extrusion, and machine design. By keeping this in view, we analyzed the two-dimensional MHD flow across a slendering stretching sheet within the sight of variable viscosity and viscous dissipation. The sheet is thought to be convectively warmed. Convective boundary conditions through heat and mass are employed. Similarity transformations used to change over the administering nonlinear partial differential equations as a group of nonlinear ordinary differential equations. Runge-Kutta based shooting technique is utilized to solve the converted equations. Numerical estimations of the physical parameters involved in the problem are calculated for the friction factor, local Nusselt and Sherwood numbers. Viscosity variation parameter and chemical reaction parameter shows the opposite impact to each other on the concentration profile. Heat and mass transfer Biot numbers are helpful to enhance the temperature and concentration respectively.

Reactive solute transport in streams: 1. Development of an equilibrium- based model

USGS Publications Warehouse

Runkel, Robert L.; Bencala, Kenneth E.; Broshears, Robert E.; Chapra, Steven C.

1996-01-01

An equilibrium-based solute transport model is developed for the simulation of trace metal fate and transport in streams. The model is formed by coupling a solute transport model with a chemical equilibrium submodel based on MINTEQ. The solute transport model considers the physical processes of advection, dispersion, lateral inflow, and transient storage, while the equilibrium submodel considers the speciation and complexation of aqueous species, precipitation/dissolution and sorption. Within the model, reactions in the water column may result in the formation of solid phases (precipitates and sorbed species) that are subject to downstream transport and settling processes. Solid phases on the streambed may also interact with the water column through dissolution and sorption/desorption reactions. Consideration of both mobile (water-borne) and immobile (streambed) solid phases requires a unique set of governing differential equations and solution techniques that are developed herein. The partial differential equations describing physical transport and the algebraic equations describing chemical equilibria are coupled using the sequential iteration approach.

Numerical simulation of the interaction between a flowfield and chemical reaction on premixed pulsed jet combustion

NASA Astrophysics Data System (ADS)

Hishida, Manabu; Hayashi, A. Koichi

1992-12-01

Pulsed Jet Combustion (PJC) is numerically simulated using time-dependent, axisymmetric, full Navier-Stokes equations with the mass, momentum, energy, and species conservation equations for a hydrogen-air mixture. A hydrogen-air reaction mechanism is modeled by nine species and nineteen elementary forward and backward reactions to evaluate the effect of the chemical reactions accurately. A point implicit method with the Harten and Yee's non-MUSCL (Monotone Upstream-centerd Schemes for Conservation Laws) modified-flux type TVD (Total Variation Diminishing) scheme is applied to deal with the stiff partial differential equations. Furthermore, a zonal method making use of the Fortified Solution Algorithm (FSA) is applied to simulate the phenomena in the complicated shape of the sub-chamber. The numerical result shows that flames propagating in the sub-chamber interact with pressure waves and are deformed to be wrinkled like a 'tulip' flame and a jet passed through the orifice changes its mass flux quasi-periodically.

HPOTP low-speed flexible rotor balancing, phase 1

NASA Technical Reports Server (NTRS)

Giordano, J.; Zorzi, E.

1985-01-01

A method was developed that shows promise in overcoming many balancing limitations. This method establishes one or more windows for low speed, out-of-housing balancing of flexible rotors. These windows are regions of speed and support flexibility where two conditions are simultaneously fulfilled. First, the rotor system behaves flexibly; therefore, there is separation among balance planes. Second, the response due to balance weights is large enough to reliably measure. The analytic formulation of the low-speed flexible rotor balancing method is described. The results of proof-of-principle tests conducted under the program are presented. Based on this effort, it is concluded that low speed flexible rotor balancing is a viable technology. In particular, the method can be used to balance a rotor bearing system at low speed which results in smooth operation above more than one bending critical speed. Furthermore, this balancing methodology is applicable to SSME turbopump rotors.

Means and method of balancing multi-cylinder reciprocating machines

DOEpatents

Corey, John A.; Walsh, Michael M.

1985-01-01

A virtual balancing axis arrangement is described for multi-cylinder reciprocating piston machines for effectively balancing out imbalanced forces and minimizing residual imbalance moments acting on the crankshaft of such machines without requiring the use of additional parallel-arrayed balancing shafts or complex and expensive gear arrangements. The novel virtual balancing axis arrangement is capable of being designed into multi-cylinder reciprocating piston and crankshaft machines for substantially reducing vibrations induced during operation of such machines with only minimal number of additional component parts. Some of the required component parts may be available from parts already required for operation of auxiliary equipment, such as oil and water pumps used in certain types of reciprocating piston and crankshaft machine so that by appropriate location and dimensioning in accordance with the teachings of the invention, the virtual balancing axis arrangement can be built into the machine at little or no additional cost.

Modeling VLF signal modulation during solar flares with GEANT4 Monte Carlo simulation, a simple chemical model and LWPC

NASA Astrophysics Data System (ADS)

Palit, Sourav; Chakrabarti, Sandip Kumar; Pal, Sujay; Basak, Tamal

Extra ionization by X-rays during solar flares affects VLF signal propagation through D-region ionosphere. Ionization produced in the lower ionosphere due to X-ray spectra of solar flares are simulated with an efficient detector simulation program, GEANT4. The balancing between the ionization and loss processes, causing the lower ionosphere to settle back to its undisturbed state is handled with a simple chemical model consisting of four broad species of ion densities. Using the electron densities, modified VLF signal amplitude is then computed with LWPC code. VLF signal along NWC (Australia) to IERC/ICSP (India) propagation path is examined during a M and a X-type solar flares and observational deviations are compared with simulated results. The agreement is found to be excellent.

Solute transport with multiple equilibrium-controlled or kinetically controlled chemical reactions

USGS Publications Warehouse

Friedly, John C.; Rubin, Jacob

1992-01-01

A new approach is applied to the problem of modeling solute transport accompanied by many chemical reactions. The approach, based on concepts of the concentration space and its stoichiometric subspaces, uses elements of the subspaces as primary dependent variables. It is shown that the resulting model equations are compact in form, isolate the chemical reaction expressions from flow expressions, and can be used for either equilibrium or kinetically controlled reactions. The implications of the results on numerical algorithms for solving the equations are discussed. The application of the theory is illustrated throughout with examples involving a simple but broadly representative set of reactions previously considered in the literature. Numerical results are presented for four interconnected reactions: a homogeneous complexation reaction, two sorption reactions, and a dissolution/precipitation reaction. Three cases are considered: (1) four kinetically controlled reactions, (2) four equilibrium-controlled reactions, and (3) a system with two kinetically controlled reactions and two equilibrium-controlled reactions.

Remarks on the chemical Fokker-Planck and Langevin equations: Nonphysical currents at equilibrium.

PubMed

Ceccato, Alessandro; Frezzato, Diego

2018-02-14

The chemical Langevin equation and the associated chemical Fokker-Planck equation are well-known continuous approximations of the discrete stochastic evolution of reaction networks. In this work, we show that these approximations suffer from a physical inconsistency, namely, the presence of nonphysical probability currents at the thermal equilibrium even for closed and fully detailed-balanced kinetic schemes. An illustration is given for a model case.

A finite element analysis of the freeze/thaw behavior of external artery heat pipes

NASA Technical Reports Server (NTRS)

Lu, X. J.; Peterson, G. P.

1993-01-01

A two-dimensional finite element model was used to determine the freeze/thaw characteristics of an external artery heat pipe. During startup, the working fluid, which was located in the liquid channel and the circumferential wall grooves, experienced a phase transformation from a solid to a liquid state. The transient heat conduction equations with moving interfacial conditions were solved using the appropriate initial boundary conditions. The modelling results include the cross-sectional temperature distribution and the interfacial or melt front position as a function of time. A fixed grid approach was adopted in the model for the phase-change process during thawing of frozen working fluid. The interfacial position between the liquid and solid regions was found by balancing the latent heat caused by interfacial movement with the heat addition or extraction at the related grid points.

A model-based approach for identifying signatures of ancient balancing selection in genetic data.

PubMed

DeGiorgio, Michael; Lohmueller, Kirk E; Nielsen, Rasmus

2014-08-01

While much effort has focused on detecting positive and negative directional selection in the human genome, relatively little work has been devoted to balancing selection. This lack of attention is likely due to the paucity of sophisticated methods for identifying sites under balancing selection. Here we develop two composite likelihood ratio tests for detecting balancing selection. Using simulations, we show that these methods outperform competing methods under a variety of assumptions and demographic models. We apply the new methods to whole-genome human data, and find a number of previously-identified loci with strong evidence of balancing selection, including several HLA genes. Additionally, we find evidence for many novel candidates, the strongest of which is FANK1, an imprinted gene that suppresses apoptosis, is expressed during meiosis in males, and displays marginal signs of segregation distortion. We hypothesize that balancing selection acts on this locus to stabilize the segregation distortion and negative fitness effects of the distorter allele. Thus, our methods are able to reproduce many previously-hypothesized signals of balancing selection, as well as discover novel interesting candidates.

Fractional Stochastic Field Theory

NASA Astrophysics Data System (ADS)

Honkonen, Juha

2018-02-01

Models describing evolution of physical, chemical, biological, social and financial processes are often formulated as differential equations with the understanding that they are large-scale equations for averages of quantities describing intrinsically random processes. Explicit account of randomness may lead to significant changes in the asymptotic behaviour (anomalous scaling) in such models especially in low spatial dimensions, which in many cases may be captured with the use of the renormalization group. Anomalous scaling and memory effects may also be introduced with the use of fractional derivatives and fractional noise. Construction of renormalized stochastic field theory with fractional derivatives and fractional noise in the underlying stochastic differential equations and master equations and the interplay between fluctuation-induced and built-in anomalous scaling behaviour is reviewed and discussed.

Research on virtual network load balancing based on OpenFlow

NASA Astrophysics Data System (ADS)

Peng, Rong; Ding, Lei

2017-08-01

The Network based on OpenFlow technology separate the control module and data forwarding module. Global deployment of load balancing strategy through network view of control plane is fast and of high efficiency. This paper proposes a Weighted Round-Robin Scheduling algorithm for virtual network and a load balancing plan for server load based on OpenFlow. Load of service nodes and load balancing tasks distribution algorithm will be taken into account.

Balancing Vibrations at Harmonic Frequencies by Injecting Harmonic Balancing Signals into the Armature of a Linear Motor/Alternator Coupled to a Stirling Machine

NASA Technical Reports Server (NTRS)

Holliday, Ezekiel S. (Inventor)

2014-01-01

Vibrations at harmonic frequencies are reduced by injecting harmonic balancing signals into the armature of a linear motor/alternator coupled to a Stirling machine. The vibrations are sensed to provide a signal representing the mechanical vibrations. A harmonic balancing signal is generated for selected harmonics of the operating frequency by processing the sensed vibration signal with adaptive filter algorithms of adaptive filters for each harmonic. Reference inputs for each harmonic are applied to the adaptive filter algorithms at the frequency of the selected harmonic. The harmonic balancing signals for all of the harmonics are summed with a principal control signal. The harmonic balancing signals modify the principal electrical drive voltage and drive the motor/alternator with a drive voltage component in opposition to the vibration at each harmonic.

Numerical solution of mixed convection flow of an MHD Jeffery fluid over an exponentially stretching sheet in the presence of thermal radiation and chemical reaction

NASA Astrophysics Data System (ADS)

Shateyi, Stanford; Marewo, Gerald T.

2018-05-01

We numerically investigate a mixed convection model for a magnetohydrodynamic (MHD) Jeffery fluid flowing over an exponentially stretching sheet. The influence of thermal radiation and chemical reaction is also considered in this study. The governing non-linear coupled partial differential equations are reduced to a set of coupled non-linear ordinary differential equations by using similarity functions. This new set of ordinary differential equations are solved numerically using the Spectral Quasi-Linearization Method. A parametric study of physical parameters involved in this study is carried out and displayed in tabular and graphical forms. It is observed that the velocity is enhanced with increasing values of the Deborah number, buoyancy and thermal radiation parameters. Furthermore, the temperature and species concentration are decreasing functions of the Deborah number. The skin friction coefficient increases with increasing values of the magnetic parameter and relaxation time. Heat and mass transfer rates increase with increasing values of the Deborah number and buoyancy parameters.

7 CFR 1007.80 - Transportation credit balancing fund.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 7 Agriculture 9 2012-01-01 2012-01-01 false Transportation credit balancing fund. 1007.80 Section... AREA Order Regulating Handling Marketwide Service Payments § 1007.80 Transportation credit balancing fund. The market administrator shall maintain a separate fund known as the Transportation Credit...

New enhanced artificial bee colony (JA-ABC5) algorithm with application for reactive power optimization.

PubMed

Sulaiman, Noorazliza; Mohamad-Saleh, Junita; Abro, Abdul Ghani

2015-01-01

The standard artificial bee colony (ABC) algorithm involves exploration and exploitation processes which need to be balanced for enhanced performance. This paper proposes a new modified ABC algorithm named JA-ABC5 to enhance convergence speed and improve the ability to reach the global optimum by balancing exploration and exploitation processes. New stages have been proposed at the earlier stages of the algorithm to increase the exploitation process. Besides that, modified mutation equations have also been introduced in the employed and onlooker-bees phases to balance the two processes. The performance of JA-ABC5 has been analyzed on 27 commonly used benchmark functions and tested to optimize the reactive power optimization problem. The performance results have clearly shown that the newly proposed algorithm has outperformed other compared algorithms in terms of convergence speed and global optimum achievement.

Battery Cell Balancing Optimisation for Battery Management System

NASA Astrophysics Data System (ADS)

Yusof, M. S.; Toha, S. F.; Kamisan, N. A.; Hashim, N. N. W. N.; Abdullah, M. A.

2017-03-01

Battery cell balancing in every electrical component such as home electronic equipment and electric vehicle is very important to extend battery run time which is simplified known as battery life. The underlying solution to equalize the balance of cell voltage and SOC between the cells when they are in complete charge. In order to control and extend the battery life, the battery cell balancing is design and manipulated in such way as well as shorten the charging process. Active and passive cell balancing strategies as a unique hallmark enables the balancing of the battery with the excellent performances configuration so that the charging process will be faster. The experimental and simulation covers an analysis of how fast the battery can balance for certain time. The simulation based analysis is conducted to certify the use of optimisation in active or passive cell balancing to extend battery life for long periods of time.

Driving an Active Vibration Balancer to Minimize Vibrations at the Fundamental and Harmonic Frequencies

NASA Technical Reports Server (NTRS)

Holliday, Ezekiel S. (Inventor)

2014-01-01

Vibrations of a principal machine are reduced at the fundamental and harmonic frequencies by driving the drive motor of an active balancer with balancing signals at the fundamental and selected harmonics. Vibrations are sensed to provide a signal representing the mechanical vibrations. A balancing signal generator for the fundamental and for each selected harmonic processes the sensed vibration signal with adaptive filter algorithms of adaptive filters for each frequency to generate a balancing signal for each frequency. Reference inputs for each frequency are applied to the adaptive filter algorithms of each balancing signal generator at the frequency assigned to the generator. The harmonic balancing signals for all of the frequencies are summed and applied to drive the drive motor. The harmonic balancing signals drive the drive motor with a drive voltage component in opposition to the vibration at each frequency.

Improvements in metabolic flux analysis using carbon bond labeling experiments: bondomer balancing and Boolean function mapping.

PubMed

Sriram, Ganesh; Shanks, Jacqueline V

2004-04-01

The biosynthetically directed fractional (13)C labeling method for metabolic flux evaluation relies on performing a 2-D [(13)C, (1)H] NMR experiment on extracts from organisms cultured on a uniformly labeled carbon substrate. This article focuses on improvements in the interpretation of data obtained from such an experiment by employing the concept of bondomers. Bondomers take into account the natural abundance of (13)C; therefore many bondomers in a real network are zero, and can be precluded a priori--thus resulting in fewer balances. Using this method, we obtained a set of linear equations which can be solved to obtain analytical formulas for NMR-measurable quantities in terms of fluxes in glycolysis and the pentose phosphate pathways. For a specific case of this network with four degrees of freedom, a priori identifiability of the fluxes was shown possible for any set of fluxes. For a more general case with five degrees of freedom, the fluxes were shown identifiable for a representative set of fluxes. Minimal sets of measurements which best identify the fluxes are listed. Furthermore, we have delineated Boolean function mapping, a new method to iteratively simulate bondomer abundances or efficiently convert carbon skeleton rearrangement information to mapping matrices. The efficiency of this method is expected to be valuable while analyzing metabolic networks which are not completely known (such as in plant metabolism) or while implementing iterative bondomer balancing methods.

A critical analysis of the accuracy of several numerical techniques for combustion kinetic rate equations

NASA Technical Reports Server (NTRS)

Radhadrishnan, Krishnan

1993-01-01

A detailed analysis of the accuracy of several techniques recently developed for integrating stiff ordinary differential equations is presented. The techniques include two general-purpose codes EPISODE and LSODE developed for an arbitrary system of ordinary differential equations, and three specialized codes CHEMEQ, CREK1D, and GCKP4 developed specifically to solve chemical kinetic rate equations. The accuracy study is made by application of these codes to two practical combustion kinetics problems. Both problems describe adiabatic, homogeneous, gas-phase chemical reactions at constant pressure, and include all three combustion regimes: induction, heat release, and equilibration. To illustrate the error variation in the different combustion regimes the species are divided into three types (reactants, intermediates, and products), and error versus time plots are presented for each species type and the temperature. These plots show that CHEMEQ is the most accurate code during induction and early heat release. During late heat release and equilibration, however, the other codes are more accurate. A single global quantity, a mean integrated root-mean-square error, that measures the average error incurred in solving the complete problem is used to compare the accuracy of the codes. Among the codes examined, LSODE is the most accurate for solving chemical kinetics problems. It is also the most efficient code, in the sense that it requires the least computational work to attain a specified accuracy level. An important finding is that use of the algebraic enthalpy conservation equation to compute the temperature can be more accurate and efficient than integrating the temperature differential equation.

40 CFR 1065.140 - Dilution for gaseous and PM constituents.

Code of Federal Regulations, 2010 CFR

2010-07-01

... nitrogen. For gaseous emission measurement the diluent must be at least 15 °C. Note that the composition of... chemical balance equations in § 1065.655 to calculate the mole fraction of water in the dilute exhaust... condensation (either measured or from the chemical balance), and set any negative values to zero. This...

College Chemistry Students' Use of Memorized Algorithms in Chemical Reactions

ERIC Educational Resources Information Center

Nyachwaya, James M.; Warfa, Abdi-Rizak M; Roehrig, Gillian H.; Schneider, Jamie L.

2014-01-01

This study sought to uncover memorized algorithms and procedures that students relied on in responding to questions based on the particulate nature of matter (PNM). We describe various memorized algorithms or processes used by students. In the study, students were asked to balance three equations of chemical reaction and then draw particulate…

Use of a Card Sort Task to Assess Students' Ability to Coordinate Three Levels of Representation in Chemistry

ERIC Educational Resources Information Center

Irby, Stefan M.; Phu, Andy L.; Borda, Emily J.; Haskell, Todd R.; Steed, Nicole; Meyer, Zachary

2016-01-01

There is much agreement among chemical education researchers that expertise in chemistry depends in part on the ability to coordinate understanding of phenomena on three levels: macroscopic (observable), sub-microscopic (atoms, molecules, and ions) and symbolic (chemical equations, graphs, etc.). We hypothesize this "level-coordination…

7 CFR 1005.80 - Transportation credit balancing fund.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 7 Agriculture 9 2010-01-01 2009-01-01 true Transportation credit balancing fund. 1005.80 Section... MARKETING AREA Order Regulating Handling Marketwide Service Payments § 1005.80 Transportation credit balancing fund. The market administrator shall maintain a separate fund known as the Transportation Credit...

A Model-Based Approach for Identifying Signatures of Ancient Balancing Selection in Genetic Data

PubMed Central

DeGiorgio, Michael; Lohmueller, Kirk E.; Nielsen, Rasmus

2014-01-01

While much effort has focused on detecting positive and negative directional selection in the human genome, relatively little work has been devoted to balancing selection. This lack of attention is likely due to the paucity of sophisticated methods for identifying sites under balancing selection. Here we develop two composite likelihood ratio tests for detecting balancing selection. Using simulations, we show that these methods outperform competing methods under a variety of assumptions and demographic models. We apply the new methods to whole-genome human data, and find a number of previously-identified loci with strong evidence of balancing selection, including several HLA genes. Additionally, we find evidence for many novel candidates, the strongest of which is FANK1, an imprinted gene that suppresses apoptosis, is expressed during meiosis in males, and displays marginal signs of segregation distortion. We hypothesize that balancing selection acts on this locus to stabilize the segregation distortion and negative fitness effects of the distorter allele. Thus, our methods are able to reproduce many previously-hypothesized signals of balancing selection, as well as discover novel interesting candidates. PMID:25144706

Research concerning the balancing of a plane mechanism

NASA Astrophysics Data System (ADS)

Bădoiu, D.; Petrescu, M. G.; Antonescu, N. N.; Toma, G.

2018-01-01

By statically balancing of the plane mechanisms and especially those functioning at high speeds is being pursued the decrease of the value of the resultant force of all inertia forces that work on the component elements, thus obtaining a significant decrease in vibrations and shocks during the functioning. On the other hand, the existence of balancing masses which ensure the balancing of the mechanism leads to increased gauge and its mass. In this paper are presented some possibilities of statically balancing a plane mechanism which is composed of three independent contours. First is analyzed the case when the mechanism is totally balanced. Then a solution is proposed for a partial balancing of the mechanism based on the balancing of the first harmonic of the inertia force developed in a piston of the mechanism. Finally, are presented some simulation results concerning the variation of the value of the resultant inertia force during a cinematic cycle when the mechanism is unbalanced and when it is partially balanced. Also, it is analyzed the variation of the motor moment when the mechanism is unbalanced and when is totally and partially balanced.

7 CFR 1007.80 - Transportation credit balancing fund.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 7 Agriculture 9 2014-01-01 2013-01-01 true Transportation credit balancing fund. 1007.80 Section... AREA Order Regulating Handling Marketwide Service Payments § 1007.80 Transportation credit balancing fund. The market administrator shall maintain a separate fund known as the Transportation Credit...

DOE Office of Scientific and Technical Information (OSTI.GOV)

B.B. Rokhman

A two-dimensional stationary model of motion, heat and mass exchange, and chemical reaction of polydisperse coke and ash particles in ascending gas-suspension flow has been constructed with allowance for the turbulent and pseudo turbulent mechanisms of transfer in the dispersed phase. The system of equations that describes motion and heat transfer in the solid phase has been closed at the level of the equations for the second moments of velocity and temperature pulsations, whereas the momentum equations of the carrying medium have been closed using the equation for turbulent gas energy, which allows for the influence of the particles andmore » heterogeneous reactions.« less

7 CFR 1007.80 - Transportation credit balancing fund.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 7 Agriculture 9 2011-01-01 2011-01-01 false Transportation credit balancing fund. 1007.80 Section... AREA Order Regulating Handling Marketwide Service Payments § 1007.80 Transportation credit balancing fund. The market administrator shall maintain a separate fund known as the Transportation Credit...

7 CFR 1007.80 - Transportation credit balancing fund.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 7 Agriculture 9 2010-01-01 2009-01-01 true Transportation credit balancing fund. 1007.80 Section... AREA Order Regulating Handling Marketwide Service Payments § 1007.80 Transportation credit balancing fund. The market administrator shall maintain a separate fund known as the Transportation Credit...

DOE Office of Scientific and Technical Information (OSTI.GOV)

Demin, S.N.; Buldakov, L.A.; Ternovsky, I.A.

Effects of radiation, chemical, and social factors on the level of disease incidence of populations in the vicinity of the atomic industry plant releases from Production association-{open_quotes}Mayak{close_quotes} was considered. The regressional equations have been received on the basis of connection of the disease with chemical and social factors. No significant connection with radiation factors have been found.

Pretest uncertainty analysis for chemical rocket engine tests

NASA Technical Reports Server (NTRS)

Davidian, Kenneth J.

1987-01-01

A parametric pretest uncertainty analysis has been performed for a chemical rocket engine test at a unique 1000:1 area ratio altitude test facility. Results from the parametric study provide the error limits required in order to maintain a maximum uncertainty of 1 percent on specific impulse. Equations used in the uncertainty analysis are presented.

Metabolic interaction between urea cycle and citric acid cycle shunt: A guided approach.

PubMed

Pesi, Rossana; Balestri, Francesco; Ipata, Piero L

2018-03-01

This article is a guided pedagogical approach, devoted to postgraduate students specializing in biochemistry, aimed at presenting all single reactions and overall equations leading to the metabolic interaction between ureagenesis and citric acid cycle to be incorporated into a two-three lecture series about the interaction of urea cycle with other metabolic pathways. We emphasize that citrate synthetase, aconitase, and isocitrate dehydrogenase, three enzymes of the citric acid cycle are not involved, thus creating a shunt in citric acid cycle. In contrast, the glutamic-oxaloacetate transaminase, which does not belong to citric acid cycle, has a paramount importance in the metabolic interaction of the two cycles, because it generates aspartate, one of the two fuel molecules of urea cycle, and a-ketoglutarate, an intermediate of the citric acid cycle. Finally, students should appreciate that balancing equations for all atoms and charges is not only a stoichiometric task, but strongly facilitates the discussion of the physiological roles of metabolic pathways. Indeed, this exercise has been used in the classroom, to encourage a deeper level of understanding of an important biochemical issue. © 2017 by The International Union of Biochemistry and Molecular Biology, 46(2):182-185, 2018. © 2017 The International Union of Biochemistry and Molecular Biology.

Human-Inspired Eigenmovement Concept Provides Coupling-Free Sensorimotor Control in Humanoid Robot.

PubMed

Alexandrov, Alexei V; Lippi, Vittorio; Mergner, Thomas; Frolov, Alexander A; Hettich, Georg; Husek, Dusan

2017-01-01

Control of a multi-body system in both robots and humans may face the problem of destabilizing dynamic coupling effects arising between linked body segments. The state of the art solutions in robotics are full state feedback controllers. For human hip-ankle coordination, a more parsimonious and theoretically stable alternative to the robotics solution has been suggested in terms of the Eigenmovement (EM) control. Eigenmovements are kinematic synergies designed to describe the multi DoF system, and its control, with a set of independent, and hence coupling-free , scalar equations. This paper investigates whether the EM alternative shows "real-world robustness" against noisy and inaccurate sensors, mechanical non-linearities such as dead zones, and human-like feedback time delays when controlling hip-ankle movements of a balancing humanoid robot. The EM concept and the EM controller are introduced, the robot's dynamics are identified using a biomechanical approach, and robot tests are performed in a human posture control laboratory. The tests show that the EM controller provides stable control of the robot with proactive ("voluntary") movements and reactive balancing of stance during support surface tilts and translations. Although a preliminary robot-human comparison reveals similarities and differences, we conclude (i) the Eigenmovement concept is a valid candidate when different concepts of human sensorimotor control are considered, and (ii) that human-inspired robot experiments may help to decide in future the choice among the candidates and to improve the design of humanoid robots and robotic rehabilitation devices.

Saturable absorber Q- and gain-switched all-Yb3+ all-fiber laser at 976 and 1064 nm.

PubMed

Tsai, Tzong-Yow; Fang, Yen-Cheng; Huang, Huai-Min; Tsao, Hong-Xi; Lin, Shih-Ting

2010-11-08

We demonstrate a novel passively pulsed all-Yb3+ all-fiber laser pumped by a continuous-wave 915-nm pump laser diode. The laser was saturable absorber Q-switched at 976 nm and gain-switched at 1064 nm, using the method of mode-field-area mismatch. With a pump power of 
105 mW, the laser iteratively produced a 976-nm pulse with an energy of 2.8 μJ and a duration of 280 ns, followed by a 1064-nm pulse with 1.1 μJ and a 430-ns duration at a repetition rate of 9 kHz. A set of rate equations was established to simulate the self-balancing mechanism and the correlation between the Q- and gain-switched photon numbers and the populations of the gain and absorber fibers.

40 CFR 1065.140 - Dilution for gaseous and PM constituents.

Code of Federal Regulations, 2011 CFR

2011-07-01

... nitrogen. For gaseous emission measurement the diluent must be at least 15 °C. Note that the composition of... chemical balance equations in § 1065.655 to calculate the mole fraction of water in the dilute exhaust... condensation (either measured or from the chemical balance), and set any negative values to zero. This...

40 CFR 1065.140 - Dilution for gaseous and PM constituents.

Code of Federal Regulations, 2012 CFR

2012-07-01

... nitrogen. For gaseous emission measurement the diluent must be at least 15 °C. Note that the composition of... chemical balance equations in § 1065.655 to calculate the mole fraction of water in the dilute exhaust... condensation (either measured or from the chemical balance), and set any negative values to zero. This...

40 CFR 1065.140 - Dilution for gaseous and PM constituents.

Code of Federal Regulations, 2013 CFR

2013-07-01

... nitrogen. For gaseous emission measurement the diluent must be at least 15 °C. Note that the composition of... chemical balance equations in § 1065.655 to calculate the mole fraction of water in the dilute exhaust... condensation (either measured or from the chemical balance), and set any negative values to zero. This...

SCREENING MODEL FOR NONAQUEOUS PHASE-LIQUID TRANSPORT IN THE VADOSE ZONE USING GREEN-AMPT AND KINEMATIC WAVE THEORY

EPA Science Inventory

In this paper, a screening model for flow of a nonaqueous phase liquid (NAPL) and associated chemical transport in the vadose zone is developed. he model is based on kinematic approximation of the governing equations for both the NAPL and a partitionable chemical constituent. he ...

Simulation of demand management and grid balancing with electric vehicles

NASA Astrophysics Data System (ADS)

Druitt, James; Früh, Wolf-Gerrit

2012-10-01

This study investigates the potential role of electric vehicles in an electricity network with a high contribution from variable generation such as wind power. Electric vehicles are modelled to provide demand management through flexible charging requirements and energy balancing for the network. Balancing applications include both demand balancing and vehicle-to-grid discharging. This study is configured to represent the UK grid with balancing requirements derived from wind generation calculated from weather station wind speeds on the supply side and National Grid data from on the demand side. The simulation models 1000 individual vehicle entities to represent the behaviour of larger numbers of vehicles. A stochastic trip generation profile is used to generate realistic journey characteristics, whilst a market pricing model allows charging and balancing decisions to be based on realistic market price conditions. The simulation has been tested with wind generation capacities representing up to 30% of UK consumption. Results show significant improvements to load following conditions with the introduction of electric vehicles, suggesting that they could substantially facilitate the uptake of intermittent renewable generation. Electric vehicle owners would benefit from flexible charging and selling tariffs, with the majority of revenue derived from vehicle-to-grid participation in balancing markets.

7 CFR 1005.80 - Transportation credit balancing fund.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 7 Agriculture 9 2013-01-01 2013-01-01 false Transportation credit balancing fund. 1005.80 Section... MARKETING AREA Order Regulating Handling Marketwide Service Payments § 1005.80 Transportation credit balancing fund. The market administrator shall maintain a separate fund known as the Transportation Credit...

7 CFR 1005.80 - Transportation credit balancing fund.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 7 Agriculture 9 2014-01-01 2013-01-01 true Transportation credit balancing fund. 1005.80 Section... MARKETING AREA Order Regulating Handling Marketwide Service Payments § 1005.80 Transportation credit balancing fund. The market administrator shall maintain a separate fund known as the Transportation Credit...

7 CFR 1005.80 - Transportation credit balancing fund.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 7 Agriculture 9 2012-01-01 2012-01-01 false Transportation credit balancing fund. 1005.80 Section... MARKETING AREA Order Regulating Handling Marketwide Service Payments § 1005.80 Transportation credit balancing fund. The market administrator shall maintain a separate fund known as the Transportation Credit...

Trace gas measurements from tethered balloon platforms

NASA Technical Reports Server (NTRS)

Bandy, Alan R.; Bandy, Terese L.; Youngbluth, Otto; Owens, Thomas L.

1987-01-01

Instrumentation and chemical sampling and analysis procedures are described for making measurements of atmospheric carbon disulfide in the concentration range 1-1000 pptv from tethered balloon platforms. Results of a study on the CS2 composition of air downward of a saltwater marsh are reported. A method for obtaining the necessary data for solving the budget equations for surface fluxes, chemical formation rates and chemical destruction rates using data acquired from tethered balloon platforms is presented.

Partial Coordination Numbers in Binary Metallic Glasses (Postprint)

DTIC Science & Technology

2011-12-07

structural differences related to relative atom size and quench rate. The magnitude of chemical interactions between the atoms, eij, might also influence...vious calculations.[2] A statistical approach is used to develop the Zij equations from the product of four terms: (1) the number of reference sites...within experimental scatter. The development of equations for Zij from the ECP model uses a statistical view of topology, and the Zij values

Three dimensional adaptive mesh refinement on a spherical shell for atmospheric models with lagrangian coordinates

NASA Astrophysics Data System (ADS)

Penner, Joyce E.; Andronova, Natalia; Oehmke, Robert C.; Brown, Jonathan; Stout, Quentin F.; Jablonowski, Christiane; van Leer, Bram; Powell, Kenneth G.; Herzog, Michael

2007-07-01

One of the most important advances needed in global climate models is the development of atmospheric General Circulation Models (GCMs) that can reliably treat convection. Such GCMs require high resolution in local convectively active regions, both in the horizontal and vertical directions. During previous research we have developed an Adaptive Mesh Refinement (AMR) dynamical core that can adapt its grid resolution horizontally. Our approach utilizes a finite volume numerical representation of the partial differential equations with floating Lagrangian vertical coordinates and requires resolving dynamical processes on small spatial scales. For the latter it uses a newly developed general-purpose library, which facilitates 3D block-structured AMR on spherical grids. The library manages neighbor information as the blocks adapt, and handles the parallel communication and load balancing, freeing the user to concentrate on the scientific modeling aspects of their code. In particular, this library defines and manages adaptive blocks on the sphere, provides user interfaces for interpolation routines and supports the communication and load-balancing aspects for parallel applications. We have successfully tested the library in a 2-D (longitude-latitude) implementation. During the past year, we have extended the library to treat adaptive mesh refinement in the vertical direction. Preliminary results are discussed. This research project is characterized by an interdisciplinary approach involving atmospheric science, computer science and mathematical/numerical aspects. The work is done in close collaboration between the Atmospheric Science, Computer Science and Aerospace Engineering Departments at the University of Michigan and NOAA GFDL.

Human-Inspired Eigenmovement Concept Provides Coupling-Free Sensorimotor Control in Humanoid Robot

PubMed Central

Alexandrov, Alexei V.; Lippi, Vittorio; Mergner, Thomas; Frolov, Alexander A.; Hettich, Georg; Husek, Dusan

2017-01-01

Control of a multi-body system in both robots and humans may face the problem of destabilizing dynamic coupling effects arising between linked body segments. The state of the art solutions in robotics are full state feedback controllers. For human hip-ankle coordination, a more parsimonious and theoretically stable alternative to the robotics solution has been suggested in terms of the Eigenmovement (EM) control. Eigenmovements are kinematic synergies designed to describe the multi DoF system, and its control, with a set of independent, and hence coupling-free, scalar equations. This paper investigates whether the EM alternative shows “real-world robustness” against noisy and inaccurate sensors, mechanical non-linearities such as dead zones, and human-like feedback time delays when controlling hip-ankle movements of a balancing humanoid robot. The EM concept and the EM controller are introduced, the robot's dynamics are identified using a biomechanical approach, and robot tests are performed in a human posture control laboratory. The tests show that the EM controller provides stable control of the robot with proactive (“voluntary”) movements and reactive balancing of stance during support surface tilts and translations. Although a preliminary robot-human comparison reveals similarities and differences, we conclude (i) the Eigenmovement concept is a valid candidate when different concepts of human sensorimotor control are considered, and (ii) that human-inspired robot experiments may help to decide in future the choice among the candidates and to improve the design of humanoid robots and robotic rehabilitation devices. PMID:28487646

Dynamic stiffness of chemically and physically ageing rubber vibration isolators in the audible frequency range. Part 1: constitutive equations

NASA Astrophysics Data System (ADS)

Kari, Leif

2017-09-01

The constitutive equations of chemically and physically ageing rubber in the audible frequency range are modelled as a function of ageing temperature, ageing time, actual temperature, time and frequency. The constitutive equations are derived by assuming nearly incompressible material with elastic spherical response and viscoelastic deviatoric response, using Mittag-Leffler relaxation function of fractional derivative type, the main advantage being the minimum material parameters needed to successfully fit experimental data over a broad frequency range. The material is furthermore assumed essentially entropic and thermo-mechanically simple while using a modified William-Landel-Ferry shift function to take into account temperature dependence and physical ageing, with fractional free volume evolution modelled by a nonlinear, fractional differential equation with relaxation time identical to that of the stress response and related to the fractional free volume by Doolittle equation. Physical ageing is a reversible ageing process, including trapping and freeing of polymer chain ends, polymer chain reorganizations and free volume changes. In contrast, chemical ageing is an irreversible process, mainly attributed to oxygen reaction with polymer network either damaging the network by scission or reformation of new polymer links. The chemical ageing is modelled by inner variables that are determined by inner fractional evolution equations. Finally, the model parameters are fitted to measurements results of natural rubber over a broad audible frequency range, and various parameter studies are performed including comparison with results obtained by ordinary, non-fractional ageing evolution differential equations.

Balancing techniques for high-speed flexible rotors

NASA Technical Reports Server (NTRS)

Smalley, A. J.

1978-01-01

Ideal and non-ideal conditions for multiplane balancing are addressed. Methodology and procedures for identifying optimum balancing configurations and for assessing, quantitatively, the penalties associated with non-optimum configurations were developed and demonstrated. The problems introduced when vibration sensors are supported on flexible mounts were assessed experimentally, and the effects of flexural asymmetry in the rotor on balancing were investigated. A general purpose method for predicting the threshold of instability of an asymmetric rotor was developed, and its predictions are compared with measurements under different degrees of asymmetry.

7 CFR 1007.80 - Transportation credit balancing fund.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 7 Agriculture 9 2013-01-01 2013-01-01 false Transportation credit balancing fund. 1007.80 Section... AREA Order Regulating Handling Marketwide Service Payments § 1007.80 Transportation credit balancing fund. The market administrator shall maintain a separate fund known as the Transportation Credit...

Balancing Authority Cooperation Concepts to Reduce Variable Generation Integration Costs in the Western Interconnection: Consolidating Balancing Authorities and Sharing Balancing Reserves

DOE Office of Scientific and Technical Information (OSTI.GOV)

Samaan, Nader A.; Makarov, Yuri V.; Nguyen, Tony B.

2017-05-07

The study described in this chapter demonstrates the benefits of BA consolidation with the help of a detailed WECC system model and advanced methodology, which is also described in this chapter. The study aims to determine the potential savings in production cost and reduction in balancing reserve requirements in the WECC system. The study has found that effective use of the diversity in load and variable generation over a wide area can indeed help to achieve significant savings. The implementation cost for the consolidation was beyond the scope of this study. The analysis was performed for two different scenarios ofmore » VG penetration: 11% (8% wind and 3% solar) and 33% (24% wind and 9% solar) of WECC projected energy demand in 2020. In analysis of balancing reserves, the objective was to determine the reduction in balancing reserve requirements due to BA consolidation, in terms of required capacity and ramp-rates. Hour-ahead and 10-minute ahead forecast errors for load, wind, and solar were simulated. In addition, 1-minute resolution load, wind and solar data were used to derive balancing reserve requirements i.e. load-following and regulation requirements for each individual BA and for the consolidated BA (CBA). The reduction in balancing reserves was determined by calculating the difference between total reserve requirements that need to be carried by different BAs if they operate individually, and reserve requirements that need to be carried by the CBA. The study results show that the consolidated WECC system would have about a 50% overall reduction in balancing reserves for the 11% penetration scenario and a 65% reduction for the 33% penetration scenario in comparison with total reserve requirements that need to be carried by different BAs if they operate individually.« less

Accurate analytic solution of chemical master equations for gene regulation networks in a single cell

NASA Astrophysics Data System (ADS)

Huang, Guan-Rong; Saakian, David B.; Hu, Chin-Kun

2018-01-01

Studying gene regulation networks in a single cell is an important, interesting, and hot research topic of molecular biology. Such process can be described by chemical master equations (CMEs). We propose a Hamilton-Jacobi equation method with finite-size corrections to solve such CMEs accurately at the intermediate region of switching, where switching rate is comparable to fast protein production rate. We applied this approach to a model of self-regulating proteins [H. Ge et al., Phys. Rev. Lett. 114, 078101 (2015), 10.1103/PhysRevLett.114.078101] and found that as a parameter related to inducer concentration increases the probability of protein production changes from unimodal to bimodal, then to unimodal, consistent with phenotype switching observed in a single cell.

Flow and heat transfer of nanofluid over a stretching sheet with non-linear velocity in the presence of thermal radiation and chemical reaction

NASA Astrophysics Data System (ADS)

Madaki, A. G.; Roslan, R.; Kandasamy, R.; Chowdhury, M. S. H.

2017-04-01

In this paper, the effects of Brownian motion, thermophoresis, chemical reaction, heat generation, magnetohydrodynamic and thermal radiation has been included in the model of nanofluid flow and heat transfer over a moving surface with variable thickness. The similarity transformation is used to transform the governing boundary layer equations into ordinary differential equations (ODE). Both optimal homotopy asymptotic method (OHAM) and Runge-Kutta fourth order method with shooting technique are employed to solve the resulting ODEs. For different values of the pertinent parameters on the velocity, temperature and concentration profiles have been studied and details are given in tables and graphs respectively. A comparison with the previous study is made, where an excellent agreement is achieved. The results demonstrate that the radiation parameter N increases, with the increase in both the temperature and the thermal boundary layer thickness respectively. While the nanoparticles concentration profiles increase with the influence of generative chemical reaction γ < 0, while it decreases with destructive chemical reaction γ > 0.

Reduced Equations for Calculating the Combustion Rates of Jet-A and Methane Fuel

NASA Technical Reports Server (NTRS)

Molnar, Melissa; Marek, C. John

2003-01-01

Simplified kinetic schemes for Jet-A and methane fuels were developed to be used in numerical combustion codes, such as the National Combustor Code (NCC) that is being developed at Glenn. These kinetic schemes presented here result in a correlation that gives the chemical kinetic time as a function of initial overall cell fuel/air ratio, pressure, and temperature. The correlations would then be used with the turbulent mixing times to determine the limiting properties and progress of the reaction. A similar correlation was also developed using data from NASA's Chemical Equilibrium Applications (CEA) code to determine the equilibrium concentration of carbon monoxide as a function of fuel air ratio, pressure, and temperature. The NASA Glenn GLSENS kinetics code calculates the reaction rates and rate constants for each species in a kinetic scheme for finite kinetic rates. These reaction rates and the values obtained from the equilibrium correlations were then used to calculate the necessary chemical kinetic times. Chemical kinetic time equations for fuel, carbon monoxide, and NOx were obtained for both Jet-A fuel and methane.

A CFD Analysis of Steam Flow in the Two-Stage Experimental Impulse Turbine with the Drum Rotor Arrangement

NASA Astrophysics Data System (ADS)

Yun, Kukchol; Tajč, L.; Kolovratník, M.

2016-03-01

The aim of the paper is to present the CFD analysis of the steam flow in the two-stage turbine with a drum rotor and balancing slots. The balancing slot is a part of every rotor blade and it can be used in the same way as balancing holes on the classical rotor disc. The main attention is focused on the explanation of the experimental knowledge about the impact of the slot covering and uncovering on the efficiency of the individual stages and the entire turbine. The pressure and temperature fields and the mass steam flows through the shaft seals, slots and blade cascades are calculated. The impact of the balancing slots covering or uncovering on the reaction and velocity conditions in the stages is evaluated according to the pressure and temperature fields. We have also concentrated on the analysis of the seal steam flow through the balancing slots. The optimized design of the balancing slots has been suggested.

Quantum load balancing in ad hoc networks

NASA Astrophysics Data System (ADS)

Hasanpour, M.; Shariat, S.; Barnaghi, P.; Hoseinitabatabaei, S. A.; Vahid, S.; Tafazolli, R.

2017-06-01

This paper presents a novel approach in targeting load balancing in ad hoc networks utilizing the properties of quantum game theory. This approach benefits from the instantaneous and information-less capability of entangled particles to synchronize the load balancing strategies in ad hoc networks. The quantum load balancing (QLB) algorithm proposed by this work is implemented on top of OLSR as the baseline routing protocol; its performance is analyzed against the baseline OLSR, and considerable gain is reported regarding some of the main QoS metrics such as delay and jitter. Furthermore, it is shown that QLB algorithm supports a solid stability gain in terms of throughput which stands a proof of concept for the load balancing properties of the proposed theory.

Coherent Structures in Magnetic Confinement Systems

NASA Astrophysics Data System (ADS)

Horton, W.

2006-04-01

Coherent structures are long-lived, nonlinear localized solutions of the selfconsistient plasma-electromagnetic field equations. They contain appreciable energy density and control various transport and magnetic reconnection processes in plasmas. These structures are self-binding from the nonlinearity balancing, or overcoming, the wave dispersion of energy in smaller amplitude structures. The structures evolve out of the nonlinear interactions in various instabilities or external driving fields. The theoretical basis for these structures are reviewed giving examples from various plasma instabilities and their reduced descriptions from the appropriate partial differential equations. A classic example from drift waves is the formation of monopole, dipole and tripolar vortex structures which have been created in both laboratory and simulation experiments. For vortices, the long life-time and nonlinear interactions of the structures can be understood with conservation laws of angular momentum given by the vorticity field associated with dynamics. Other morphologies include mushrooms, Kelvin-Helmholtz vorticity roll-up, streamers and blobs. We show simulation movies of various examples drawn from ETG modes in NSTX, H-mode like shear flow layers in LAPD and the vortices measured with soft x-ray tomography in the GAMMA 10 tandem mirror. Coherent current-sheet structures form in driven magnetic reconnection layers and control the rate of transformation of magnetic energy to flow and thermal energy.

Implications of multiplane-multispeed balancing for future turbine engine design and cost

NASA Technical Reports Server (NTRS)

Badgley, R. H.

1974-01-01

This paper describes several alternative approaches, provided by multiplane-multispeed balancing, to traditional gas turbine engine manufacture and assembly procedures. These alternatives, which range from addition of trim-balancing at the end of the traditional assembly process to modular design of the rotating system for assembly and balancing external to the engine, require attention by the engine designer as an integral part of the design process. Since multiplane-multispeed balancing may be incorporated at one or more of several points during manufacture-assembly, its deliberate use is expected to provide significant cost and performance (reduced vibration) benefits. Moreover, its availability provides the designer with a firm base from which he may advance, with reasonable assurance of success, into the flexible rotor dynamic regime.

7 CFR 1005.80 - Transportation credit balancing fund.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 7 Agriculture 9 2011-01-01 2011-01-01 false Transportation credit balancing fund. 1005.80 Section... MARKETING AREA Order Regulating Handling Marketwide Service Payments § 1005.80 Transportation credit balancing fund. The market administrator shall maintain a separate fund known as the Transportation Credit...

SCREENING MODEL FOR NONAQUEOUS PHASE LIQUID TRANS- PORT IN THE VADOSE ZONE USING GREEN-AMPT AND KINEMATIC WAVE THEORY

EPA Science Inventory

In this paper, a screening model for flow of a nonaqueous phase liquid (NAPL) and associated chemical transport in the vadose zone is developed. The model is based on kinematic approximation of the governing equations for both the NAPL and a partitionable chemical constituent. Th...

Use of Chemistry Software to Teach and Assess Model-Based Reaction and Equation Knowledge

ERIC Educational Resources Information Center

Pyatt, Kevin

2014-01-01

This study investigated the challenges students face when learning chemical reactions in a first-year chemistry course and the effectiveness of a curriculum and software implementation that was used to teach and assess student understanding of chemical reactions and equations. This study took place over a two year period in a public suburban…

A time-accurate implicit method for chemical non-equilibrium flows at all speeds

NASA Technical Reports Server (NTRS)

Shuen, Jian-Shun

1992-01-01

A new time accurate coupled solution procedure for solving the chemical non-equilibrium Navier-Stokes equations over a wide range of Mach numbers is described. The scheme is shown to be very efficient and robust for flows with velocities ranging from M less than or equal to 10(exp -10) to supersonic speeds.

User's Guide of TOUGH2-EGS. A Coupled Geomechanical and Reactive Geochemical Simulator for Fluid and Heat Flow in Enhanced Geothermal Systems Version 1.0

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fakcharoenphol, Perapon; Xiong, Yi; Hu, Litang

TOUGH2-EGS is a numerical simulation program coupling geomechanics and chemical reactions for fluid and heat flows in porous media and fractured reservoirs of enhanced geothermal systems. The simulator includes the fully-coupled geomechanical (THM) module, the fully-coupled geochemical (THC) module, and the sequentially coupled reactive geochemistry (THMC) module. The fully-coupled flow-geomechanics model is developed from the linear elastic theory for the thermo-poro-elastic system and is formulated with the mean normal stress as well as pore pressure and temperature. The chemical reaction is sequentially coupled after solution of flow equations, which provides the flow velocity and phase saturation for the solute transportmore » calculation at each time step. In addition, reservoir rock properties, such as porosity and permeability, are subjected to change due to rock deformation and chemical reactions. The relationships between rock properties and geomechanical and chemical effects from poro-elasticity theories and empirical correlations are incorporated into the simulator. This report provides the user with detailed information on both mathematical models and instructions for using TOUGH2-EGS for THM, THC or THMC simulations. The mathematical models include the fluid and heat flow equations, geomechanical equation, reactive geochemistry equations, and discretization methods. Although TOUGH2-EGS has the capability for simulating fluid and heat flows coupled with both geomechanical and chemical effects, it is up to the users to select the specific coupling process, such as THM, THC, or THMC in a simulation. There are several example problems illustrating the applications of this program. These example problems are described in details and their input data are presented. The results demonstrate that this program can be used for field-scale geothermal reservoir simulation with fluid and heat flow, geomechanical effect, and chemical reaction in porous and fractured media.« less

Equations for calculating the properties of dissociated steam

NASA Astrophysics Data System (ADS)

Aminov, R. Z.; Gudym, A. A.

2017-08-01

The equations of state for dissociated steam have been developed in the temperature and pressure ranges of 1250-2300 K and 0.01-10.00 MPa for calculating thermodynamic processes in thermal power units operating on high-temperature steam. These equations are based on the property tables for dissociated steam derived at a reference temperature of 0 K. It is assumed that the initial substance is steam, the dissociation of which—in accordance with the most likely chemical reactions—results in formation of molecules of hydrogen, oxygen, steam, hydroxyl, and atoms of oxygen and hydrogen. Differential thermodynamic correlations, considering a change in the chemical potential and the composition of the mixture, during the steam dissociation are used. A reference temperature of 0.01°C used in the calculation of parameters of nondissociated steam has been adopted to predict processes in thermal power units without matching the reference temperatures and to account for transformation of dissociated steam into its usual form for which there is the international system of equations with the water triple point of 0.01°C taken as the reference. In the investigated region, the deviation of dissociated steam properties from those of nondissociated steam, which increases with decreasing the pressure or increasing the temperature, was determined. For a pressure of 0.02 MPa and a temperature of 2200 K, these deviations are 512 kJ/kg for the enthalpy, 0.2574 kJ/(kg K) for the entropy, and 3.431 kJ/(kg K) for the heat capacity at constant pressure. The maximum deviation of the dissociated steam properties calculated by the developed equations from the handbook values that these equations are based on does not exceed 0.03-0.05%.

Parameter Estimates in Differential Equation Models for Chemical Kinetics

ERIC Educational Resources Information Center

Winkel, Brian

2011-01-01

We discuss the need for devoting time in differential equations courses to modelling and the completion of the modelling process with efforts to estimate the parameters in the models using data. We estimate the parameters present in several differential equation models of chemical reactions of order n, where n = 0, 1, 2, and apply more general…

40 CFR 161.162 - Description of production process.

Code of Federal Regulations, 2012 CFR

2012-07-01

... PROGRAMS DATA REQUIREMENTS FOR REGISTRATION OF ANTIMICROBIAL PESTICIDES Product Chemistry Data Requirements...) A flow chart of the chemical equations of each intended reaction occurring at each step of the...

Solvation thermodynamics and the physical-chemical meaning of the constant in Abraham solvation equations.

PubMed

van Noort, Paul C M

2012-04-01

Abraham solvation equations find widespread use in environmental chemistry. Until now, the intercept in these equations was determined by fitting experimental data. To simplify the determination of the coefficients in Abraham solvation equations, this study derives theoretical expressions for the value of the intercept for various partition processes. To that end, a modification of the description of the Ben-Naim standard state into the van der Waals volume is proposed. Differences between predicted and fitted values of the Abraham solvation equation intercept for the enthalpy of solvation, the entropy of solvation, solvent-water partitioning, air-solvent partitioning, partitioning into micelles, partitioning into lipid membranes and lipids, and chromatographic retention indices are comparable to experimental uncertainties in these values. Copyright © 2011 Elsevier Ltd. All rights reserved.

Stability in chemical and biological systems: Multistage polyenzymatic reactions

NASA Astrophysics Data System (ADS)

Varfolomeev, S. D.; Lukovenkov, A. V.

2010-08-01

General principles of the theory of stability of solutions to differential equations are considered. The stability of equations describing the dynamics of changes in reagent concentrations in polyenzymatic biochemical chains is analyzed. Various mechanisms of formation of stable and unstable stationary states are considered, and unbalanced regimes and collapse are analyzed. The influence of systems of toxins and drugs on stability is studied. An interpretation of pathological processes based on stability theory is given.

The modeling of piezoceramic patch interactions with shells, plates and beams

NASA Technical Reports Server (NTRS)

Banks, H. T.; Smith, R. C.

1992-01-01

General models describing the interactions between a pair of piezoceramic patches and elastic substructures consisting of a cylindrical shell, plate and beam are presented. In each case, the manner in which the patch loads enter both the strong and weak forms of the time-dependent structural equations of motion is described. Through force and moment balancing, these loads are then determined in terms of material properties of the patch and substructure (thickness, elastic properties, Poisson ratios), the geometry of the patch placement, and the voltages into the patches. In the case of the shell, the coupling between banding and inplane deformations, which is due to the curvature, is retained. These models are sufficiently general to allow for potentially different patch voltages which implies that they can be suitably employed when using piezoceramic patches for controlling system dynamics when both extensional and bending vibrations are present.

Vertical graphene nanosheets synthesized by thermal chemical vapor deposition and the field emission properties

NASA Astrophysics Data System (ADS)

Guo, Xin; Qin, Shengchun; Bai, Shuai; Yue, Hongwei; Li, Yali; Chen, Qiang; Li, Junshuai; He, Deyan

2016-09-01

In this paper, we explored synthesis of vertical graphene nanosheets (VGNs) by thermal chemical vapor deposition (CVD). Through optimizing the experimental condition, growth of well aligned VGNs with uniform morphologies on nickel-coated stainless steel (SS) was realized for the first time by thermal CVD. In the meantime, influence of growth parameters on the VGN morphology was understood based on the balancing between the concentration and kinetic energy of carbon-containing radicals. Structural characterizations demonstrate that the achieved VGNs are normally composed of several graphene layers and less corrugated compared to the ones synthesized by other approaches, e.g. plasma enhanced (PE) CVD. The field emission measurement indicates that the VGNs exhibit relatively stable field emission and a field enhancement factor of about 1470, which is comparable to the values of VGNs prepared by PECVD can be achieved.

[Dynamics of soil P pool in a long-term fertilizing experiment of wheat-maize rotation. I. Crop yield effect of fertilizer P and dynamics of soil total P and inorganic P].

PubMed

Liu, J; Zhang, F

2000-06-01

The effects of long-term applying fertilizer P and manure on the pools of soil total P and inorganic P and the crop yield in rotation of winter wheat-summer maize-->spring maize were studied. The results showed that the pool of soil total P and inorganic P were increased by applying fertilizer P and manure, and the phosphorus mostly accumulated in soil was inorganic P. The critical amounts of fertilizer P (P2O5) for balancing soil P were 94.7 kg.hm-2 to winter wheat-summer maize and 51.5 kg.hm-2 to spring maize. Based on regression equations, the application rates of fertilizer P (P2O5) for economic optimum and highest yields were 135.8 and 149.8 kg.hm-2 to winter wheat-summer maize, and 88.6 and 95.9 kg.hm-2 to spring maize, respectively.

New Enhanced Artificial Bee Colony (JA-ABC5) Algorithm with Application for Reactive Power Optimization

PubMed Central

2015-01-01

The standard artificial bee colony (ABC) algorithm involves exploration and exploitation processes which need to be balanced for enhanced performance. This paper proposes a new modified ABC algorithm named JA-ABC5 to enhance convergence speed and improve the ability to reach the global optimum by balancing exploration and exploitation processes. New stages have been proposed at the earlier stages of the algorithm to increase the exploitation process. Besides that, modified mutation equations have also been introduced in the employed and onlooker-bees phases to balance the two processes. The performance of JA-ABC5 has been analyzed on 27 commonly used benchmark functions and tested to optimize the reactive power optimization problem. The performance results have clearly shown that the newly proposed algorithm has outperformed other compared algorithms in terms of convergence speed and global optimum achievement. PMID:25879054

The production of oxidants in Europa's surface.

PubMed

Johnson, R E; Quickenden, T I; Cooper, P D; McKinley, A J; Freeman, C G

2003-01-01

The oxidants produced by radiolysis and photolysis in the icy surface of Europa may be necessary to sustain carbon-based biochemistry in Europa's putative subsurface ocean. Because the subduction of oxidants to the ocean presents considerable thermodynamic challenges, we examine the formation of oxygen and related species in Europa's surface ice with the goal of characterizing the chemical state of the irradiated material. Relevant spectral observations of Europa and the laboratory data on the production of oxygen and related species are first summarized. Since the laboratory data are incomplete, we examine the rate equations for formation of oxygen and its chemical precursors by radiolysis and photolysis. Measurements and simple rate equations are suggested that can be used to characterize the production of oxidants in Europa's surface material and the chemical environment produced by radiolysis. Possible precursor molecules and the role of radical trapping are examined. The possibility of oxygen reactions on grain surfaces in Europa's regolith is discussed, and the earlier estimates of the supply of O(2) to the atmosphere are increased.

An analysis of a charring ablator with thermal nonequilibrium, chemical kinetics, and mass transfer

NASA Technical Reports Server (NTRS)

Clark, R. K.

1973-01-01

The differential equations governing the transient response of a one-dimensional ablative thermal protection system are presented for thermal nonequilibrium between the pyrolysis gases and the char layer and with finite rate chemical reactions occurring. The system consists of three layers (the char layer, the uncharred layer, and an optical insulation layer) with concentrated heat sinks at the back surface and between the second and third layers. The equations are solved numerically by using a modified implicit finite difference scheme to obtain solutions for the thickness of the charred and uncharred layers, surface recession and pyrolysis rates, solid temperatures, porosity profiles, and profiles of pyrolysis-gas temperature, pressure, composition, and flow rate. Good agreement is obtained between numerical results and exact solutions for a number of simplified cases. The complete numerical analysis is used to obtain solutions for an ablative system subjected to a constant heating environment. Effects of thermal, chemical, and mass transfer processes are shown.

Virtual Balancing for Studying and Training Postural Control.

PubMed

Buettner, Daniela; Dalin, Daniela; Wiesmeier, Isabella K; Maurer, Christoph

2017-01-01

Postural control during free stance has been frequently interpreted in terms of balancing an inverted pendulum. This even holds, if subjects do not balance their own, but an external body weight. We introduce here a virtual balancing apparatus, which produces torque in the ankle joint as a function of ankle angle resembling the gravity and inertial effects of free standing. As a first aim of this study, we systematically modified gravity, damping, and inertia to examine its effect on postural control beyond the physical constraints given in the real world. As a second aim, we compared virtual balancing to free stance to test its suitability for balance training in patients who are not able to balance their full body weight due to certain medical conditions. In a feasibility study, we analyzed postural control during free stance and virtual balancing in 15 healthy subjects. Postural control was characterized by spontaneous sway measures and measures of perturbed stance. During free stance, perturbations were induced by pseudorandom anterior-posterior tilts of the body support surface. In the virtual balancing task, we systematically varied the anterior-posterior position of the foot plate where the balancing forces are zero following a similar pseudorandom stimulus profile. We found that subjects' behavior during virtual balancing resembles free stance on a tilting platform. This specifically holds for the profile of body excursions as a function of stimulus frequencies. Moreover, non-linearity between stimulus and response amplitude is similar in free and virtual balancing. The overall larger stimulus induced body excursions together with an altered phase behavior between stimulus and response could be in part explained by the limited use of vestibular and visual feedback in our experimental setting. Varying gravity or damping significantly affected postural behavior. Inertia as an isolated factor had a mild effect on the response functions. We conclude that virtual balancing may be well suited to simulate conditions which could otherwise only be realized in space experiments or during parabolic flights. Further studies are needed to examine patients' potential benefit of virtual balance training.

A numerical solution of the problem of crown forest fire initiation and spread

NASA Astrophysics Data System (ADS)

Marzaeva, S. I.; Galtseva, O. V.

2018-05-01

Mathematical model of forest fire was based on an analysis of known experimental data and using concept and methods from reactive media mechanics. The study takes in to account the mutual interaction of the forest fires and three-dimensional atmosphere flows. The research is done by means of mathematical modeling of physical processes. It is based on numerical solution of Reynolds equations for chemical components and equations of energy conservation for gaseous and condensed phases. It is assumed that the forest during a forest fire can be modeled as a two-temperature multiphase non-deformable porous reactive medium. A discrete analog for the system of equations was obtained by means of the control volume method. The developed model of forest fire initiation and spreading would make it possible to obtain a detailed picture of the variation in the velocity, temperature and chemical species concentration fields with time. Mathematical model and the result of the calculation give an opportunity to evaluate critical conditions of the forest fire initiation and spread which allows applying the given model for of means for preventing fires.

Simple Model of Macroscopic Instability in XeCl Discharge Pumped Lasers

NASA Astrophysics Data System (ADS)

Ahmed, Belasri; Zoheir, Harrache

2003-10-01

The aim of this work is to study the development of the macroscopic non uniformity of the electron density of high pressure discharge for excimer lasers and eventually its propagation because of the medium kinetics phenomena. This study is executed using a transverse mono-dimensional model, in which the plasma is represented by a set of resistance's in parallel. This model was employed using a numerical code including three strongly coupled parts: electric circuit equations, electron Boltzmann equation, and kinetics equations (chemical kinetics model). The time variations of the electron density in each plasma element are obtained by solving a set of ordinary differential equations describing the plasma kinetics and external circuit. The use of the present model allows a good comprehension of the halogen depletion phenomena, which is the principal cause of laser ending and allows a simple study of a large-scale non uniformity in preionization density and its effects on electrical and chemical plasma properties. The obtained results indicate clearly that about 50consumed at the end of the pulse. KEY WORDS Excimer laser, XeCl, Modeling, Cold plasma, Kinetic, Halogen depletion, Macroscopic instability.

Energy transport in a shear flow of particles in a two-dimensional dusty plasma.

PubMed

Feng, Yan; Goree, J; Liu, Bin

2012-11-01

A shear flow of particles in a laser-driven two-dimensional (2D) dusty plasma is observed in a study of viscous heating and thermal conduction. Video imaging and particle tracking yields particle velocity data, which we convert into continuum data, presented as three spatial profiles: mean particle velocity (i.e., flow velocity), mean-square particle velocity, and mean-square fluctuations of particle velocity. These profiles and their derivatives allow a spatially resolved determination of each term in the energy and momentum continuity equations, which we use for two purposes. First, by balancing these terms so that their sum (i.e., residual) is minimized while varying viscosity η and thermal conductivity κ as free parameters, we simultaneously obtain values for η and κ in the same experiment. Second, by comparing the viscous heating and thermal conduction terms, we obtain a spatially resolved characterization of the viscous heating.

Model Construction and Analysis of Respiration in Halobacterium salinarum.

PubMed

Talaue, Cherryl O; del Rosario, Ricardo C H; Pfeiffer, Friedhelm; Mendoza, Eduardo R; Oesterhelt, Dieter

2016-01-01

The archaeon Halobacterium salinarum can produce energy using three different processes, namely photosynthesis, oxidative phosphorylation and fermentation of arginine, and is thus a model organism in bioenergetics. Compared to its bacteriorhodopsin-driven photosynthesis, less attention has been devoted to modeling its respiratory pathway. We created a system of ordinary differential equations that models its oxidative phosphorylation. The model consists of the electron transport chain, the ATP synthase, the potassium uniport and the sodium-proton antiport. By fitting the model parameters to experimental data, we show that the model can explain data on proton motive force generation, ATP production, and the charge balancing of ions between the sodium-proton antiporter and the potassium uniport. We performed sensitivity analysis of the model parameters to determine how the model will respond to perturbations in parameter values. The model and the parameters we derived provide a resource that can be used for analytical studies of the bioenergetics of H. salinarum.

A New LES/PDF Method for Computational Modeling of Turbulent Reacting Flows

NASA Astrophysics Data System (ADS)

Turkeri, Hasret; Muradoglu, Metin; Pope, Stephen B.

2013-11-01

A new LES/PDF method is developed for computational modeling of turbulent reacting flows. The open source package, OpenFOAM, is adopted as the LES solver and combined with the particle-based Monte Carlo method to solve the LES/PDF model equations. The dynamic Smagorinsky model is employed to account for the subgrid-scale motions. The LES solver is first validated for the Sandia Flame D using a steady flamelet method in which the chemical compositions, density and temperature fields are parameterized by the mean mixture fraction and its variance. In this approach, the modeled transport equations for the mean mixture fraction and the square of the mixture fraction are solved and the variance is then computed from its definition. The results are found to be in a good agreement with the experimental data. Then the LES solver is combined with the particle-based Monte Carlo algorithm to form a complete solver for the LES/PDF model equations. The in situ adaptive tabulation (ISAT) algorithm is incorporated into the LES/PDF method for efficient implementation of detailed chemical kinetics. The LES/PDF method is also applied to the Sandia Flame D using the GRI-Mech 3.0 chemical mechanism and the results are compared with the experimental data and the earlier PDF simulations. The Scientific and Technical Research Council of Turkey (TUBITAK), Grant No. 111M067.

Hydrologic Transport of Dissolved Inorganic Carbon and Its Control on Chemical Weathering

NASA Astrophysics Data System (ADS)

Calabrese, Salvatore; Parolari, Anthony J.; Porporato, Amilcare

2017-10-01

Chemical weathering is one of the major processes interacting with climate and tectonics to form clays, supply nutrients to soil microorganisms and plants, and sequester atmospheric CO2. Hydrology and dissolution kinetics have been emphasized as factors controlling chemical weathering rates. However, the interaction between hydrology and transport of dissolved inorganic carbon (DIC) in controlling weathering has received less attention. In this paper, we present an analytical model that couples subsurface water and chemical molar balance equations to analyze the roles of hydrology and DIC transport on chemical weathering. The balance equations form a dynamical system that fully determines the dynamics of the weathering zone chemistry as forced by the transport of DIC. The model is formulated specifically for the silicate mineral albite, but it can be extended to other minerals, and is studied as a function of percolation rate and water transit time. Three weathering regimes are elucidated. For very small or large values of transit time, the weathering is limited by reaction kinetics or transport, respectively. For intermediate values, the system is transport controlled and is sensitive to transit time. We apply the model to a series of watersheds for which we estimate transit times and identify the type of weathering regime. The results suggest that hydrologic transport of DIC may be as important as reaction kinetics and dilution in determining chemical weathering rates.

A continuous time random walk (CTRW) integro-differential equation with chemical interaction

NASA Astrophysics Data System (ADS)

Ben-Zvi, Rami; Nissan, Alon; Scher, Harvey; Berkowitz, Brian

2018-01-01

A nonlocal-in-time integro-differential equation is introduced that accounts for close coupling between transport and chemical reaction terms. The structure of the equation contains these terms in a single convolution with a memory function M ( t), which includes the source of non-Fickian (anomalous) behavior, within the framework of a continuous time random walk (CTRW). The interaction is non-linear and second-order, relevant for a bimolecular reaction A + B → C. The interaction term ΓP A ( s, t) P B ( s, t) is symmetric in the concentrations of A and B (i.e. P A and P B ); thus the source terms in the equations for A, B and C are similar, but with a change in sign for that of C. Here, the chemical rate coefficient, Γ, is constant. The fully coupled equations are solved numerically using a finite element method (FEM) with a judicious representation of M ( t) that eschews the need for the entire time history, instead using only values at the former time step. To begin to validate the equations, the FEM solution is compared, in lieu of experimental data, to a particle tracking method (CTRW-PT); the results from the two approaches, particularly for the C profiles, are in agreement. The FEM solution, for a range of initial and boundary conditions, can provide a good model for reactive transport in disordered media.

Dynamic game balancing implementation using adaptive algorithm in mobile-based Safari Indonesia game

NASA Astrophysics Data System (ADS)

Yuniarti, Anny; Nata Wardanie, Novita; Kuswardayan, Imam

2018-03-01

In developing a game there is one method that should be applied to maintain the interest of players, namely dynamic game balancing. Dynamic game balancing is a process to match a player’s playing style with the behaviour, attributes, and game environment. This study applies dynamic game balancing using adaptive algorithm in scrolling shooter game type called Safari Indonesia which developed using Unity. The game of this type is portrayed by a fighter aircraft character trying to defend itself from insistent enemy attacks. This classic game is chosen to implement adaptive algorithms because it has quite complex attributes to be developed using dynamic game balancing. Tests conducted by distributing questionnaires to a number of players indicate that this method managed to reduce frustration and increase the pleasure factor in playing.

Non-stationary filtration mode during chemical reactions with the gas phase

NASA Astrophysics Data System (ADS)

Zavialov, Ivan; Konyukhov, Andrey; Negodyaev, Sergey

2015-04-01

An experimental and numerical study of filtration accompanied by chemical reactions between displacing fluid and solid skeleton is considered. Glass balls (400-500 μm in diameter) were placed in 1 cm gap between two glass sheets and were used as model porous medium. The baking soda was added to the glass balls. The 70% solution of acetic acid was used as the displacer. The modeling porous medium was saturated with a mineral oil, and then 70% solution of colored acetic acid was pumped through the medium. The glass balls and a mineral oil have a similar refractive index, so the model porous medium was optically transparent. During the filtration, the gas phase was generated by the chemical reactions between the baking soda and acetic acid, and time-dependent displacement of the chemical reaction front was observed. The front of the chemical reaction was associated with the most intensive gas separation. The front moved, stopped, and then moved again to the area where it had been already. We called this process a secondary oxidation wave. To describe this effect, we added to the balance equations a term associated with the formation and disappearance of phases due to chemical reactions. The equations were supplemented by Darcy's law for multiphase filtration. Nonstationarity front propagation of the chemical reaction in the numerical experiment was observed at Damköhler numbers greater than 100. The mathematical modelling was agreed well with the experimental results.

CERENA: ChEmical REaction Network Analyzer—A Toolbox for the Simulation and Analysis of Stochastic Chemical Kinetics

PubMed Central

Kazeroonian, Atefeh; Fröhlich, Fabian; Raue, Andreas; Theis, Fabian J.; Hasenauer, Jan

2016-01-01

Gene expression, signal transduction and many other cellular processes are subject to stochastic fluctuations. The analysis of these stochastic chemical kinetics is important for understanding cell-to-cell variability and its functional implications, but it is also challenging. A multitude of exact and approximate descriptions of stochastic chemical kinetics have been developed, however, tools to automatically generate the descriptions and compare their accuracy and computational efficiency are missing. In this manuscript we introduced CERENA, a toolbox for the analysis of stochastic chemical kinetics using Approximations of the Chemical Master Equation solution statistics. CERENA implements stochastic simulation algorithms and the finite state projection for microscopic descriptions of processes, the system size expansion and moment equations for meso- and macroscopic descriptions, as well as the novel conditional moment equations for a hybrid description. This unique collection of descriptions in a single toolbox facilitates the selection of appropriate modeling approaches. Unlike other software packages, the implementation of CERENA is completely general and allows, e.g., for time-dependent propensities and non-mass action kinetics. By providing SBML import, symbolic model generation and simulation using MEX-files, CERENA is user-friendly and computationally efficient. The availability of forward and adjoint sensitivity analyses allows for further studies such as parameter estimation and uncertainty analysis. The MATLAB code implementing CERENA is freely available from http://cerenadevelopers.github.io/CERENA/. PMID:26807911

CERENA: ChEmical REaction Network Analyzer--A Toolbox for the Simulation and Analysis of Stochastic Chemical Kinetics.

PubMed

Kazeroonian, Atefeh; Fröhlich, Fabian; Raue, Andreas; Theis, Fabian J; Hasenauer, Jan

2016-01-01

Gene expression, signal transduction and many other cellular processes are subject to stochastic fluctuations. The analysis of these stochastic chemical kinetics is important for understanding cell-to-cell variability and its functional implications, but it is also challenging. A multitude of exact and approximate descriptions of stochastic chemical kinetics have been developed, however, tools to automatically generate the descriptions and compare their accuracy and computational efficiency are missing. In this manuscript we introduced CERENA, a toolbox for the analysis of stochastic chemical kinetics using Approximations of the Chemical Master Equation solution statistics. CERENA implements stochastic simulation algorithms and the finite state projection for microscopic descriptions of processes, the system size expansion and moment equations for meso- and macroscopic descriptions, as well as the novel conditional moment equations for a hybrid description. This unique collection of descriptions in a single toolbox facilitates the selection of appropriate modeling approaches. Unlike other software packages, the implementation of CERENA is completely general and allows, e.g., for time-dependent propensities and non-mass action kinetics. By providing SBML import, symbolic model generation and simulation using MEX-files, CERENA is user-friendly and computationally efficient. The availability of forward and adjoint sensitivity analyses allows for further studies such as parameter estimation and uncertainty analysis. The MATLAB code implementing CERENA is freely available from http://cerenadevelopers.github.io/CERENA/.

Development of Bicarbonate-Activated Peroxide as a Chemical and Biological Warfare Agent Decontaminant

DTIC Science & Technology

2006-06-30

may operate for certain substrates. The reaction of equation 1 proceeds with the intermediacy of CO2 as shown in Figure 1. Although it is well...competition between paths 5 and 6 will depend on the conditions and the nature of the substrate S. Note that figures, equations , etc. in the...1 shows the complete reaction scheme used to model the equilibration reaction at low temperature. Table 1 Kinetic equations and their

Multiscale Numerical Methods for Non-Equilibrium Plasma

DTIC Science & Technology

2015-08-01

current paper reports on the implementation of a numerical solver on the Graphic Processing Units (GPUs) to model reactive gas mixtures with detailed...Governing equations The flow ismodeled as amixture of gas specieswhile neglecting viscous effects. The chemical reactions taken place between the gas ...components are to be modeled in great detail. The set of the Euler equations for a reactive gas mixture can be written as: ∂Q ∂t + ∇ · F̄ = Ω̇ (1) where Q

Basic Governing Equations for the Flight Regimes of Aeroassisted Orbital Transfer Vehicles

NASA Technical Reports Server (NTRS)

Lee, Jong-Hun

1985-01-01

The basic governing equations for the low-density, high-enthalpy flow regimes expected in the shock layers over the heat shields of the proposed aeroassisted orbital transfer vehicles are derived by combining and extending existing theories. The conservation equations are derived from gas kinetic principles for a four-component ionized gas consisting of neutral molecules, neutral atoms, singly ionized ions, and electrons, assuming a continuum flow. The differences among translational-rotational, vibrational, and electron temperatures are accounted for, as well as chemical nonequilibrium and electric-charge separation. Expressions for convective and viscous fluxes, transport properties, and the terms representing interactions among various energy modes are explicitly given. The expressions for the rate of electron-vibration energy transfer, which violates the Landau-Teller conditions, are derived by solving the system of master equations accounting for the multiple-level transitions.

Finite volume model for two-dimensional shallow environmental flow

USGS Publications Warehouse

Simoes, F.J.M.

2011-01-01

This paper presents the development of a two-dimensional, depth integrated, unsteady, free-surface model based on the shallow water equations. The development was motivated by the desire of balancing computational efficiency and accuracy by selective and conjunctive use of different numerical techniques. The base framework of the discrete model uses Godunov methods on unstructured triangular grids, but the solution technique emphasizes the use of a high-resolution Riemann solver where needed, switching to a simpler and computationally more efficient upwind finite volume technique in the smooth regions of the flow. Explicit time marching is accomplished with strong stability preserving Runge-Kutta methods, with additional acceleration techniques for steady-state computations. A simplified mass-preserving algorithm is used to deal with wet/dry fronts. Application of the model is made to several benchmark cases that show the interplay of the diverse solution techniques.

Well balancing of the SWE schemes for moving-water steady flows

NASA Astrophysics Data System (ADS)

Caleffi, Valerio; Valiani, Alessandro

2017-08-01

In this work, the exact reproduction of a moving-water steady flow via the numerical solution of the one-dimensional shallow water equations is studied. A new scheme based on a modified version of the HLLEM approximate Riemann solver (Dumbser and Balsara (2016) [18]) that exactly preserves the total head and the discharge in the simulation of smooth steady flows and that correctly dissipates mechanical energy in the presence of hydraulic jumps is presented. This model is compared with a selected set of schemes from the literature, including models that exactly preserve quiescent flows and models that exactly preserve moving-water steady flows. The comparison highlights the strengths and weaknesses of the different approaches. In particular, the results show that the increase in accuracy in the steady state reproduction is counterbalanced by a reduced robustness and numerical efficiency of the models. Some solutions to reduce these drawbacks, at the cost of increased algorithm complexity, are presented.

Asynchronous multilevel adaptive methods for solving partial differential equations on multiprocessors - Performance results

NASA Technical Reports Server (NTRS)

Mccormick, S.; Quinlan, D.

1989-01-01

The fast adaptive composite grid method (FAC) is an algorithm that uses various levels of uniform grids (global and local) to provide adaptive resolution and fast solution of PDEs. Like all such methods, it offers parallelism by using possibly many disconnected patches per level, but is hindered by the need to handle these levels sequentially. The finest levels must therefore wait for processing to be essentially completed on all the coarser ones. A recently developed asynchronous version of FAC, called AFAC, completely eliminates this bottleneck to parallelism. This paper describes timing results for AFAC, coupled with a simple load balancing scheme, applied to the solution of elliptic PDEs on an Intel iPSC hypercube. These tests include performance of certain processes necessary in adaptive methods, including moving grids and changing refinement. A companion paper reports on numerical and analytical results for estimating convergence factors of AFAC applied to very large scale examples.

Sliding mode control: an approach to regulate nonlinear chemical processes

PubMed

Camacho; Smith

2000-01-01

A new approach for the design of sliding mode controllers based on a first-order-plus-deadtime model of the process, is developed. This approach results in a fixed structure controller with a set of tuning equations as a function of the characteristic parameters of the model. The controller performance is judged by simulations on two nonlinear chemical processes.

Modeling physical and chemical climate of the northeastern United States for a geographic information system

Treesearch

Scott V. Ollinger; John D. Aber; Anthony C. Federer; Gary M. Lovett; Jennifer M. Ellis

1995-01-01

A model of physical and chemical climate was developed for New York and New England that can be used in a GIs for integration with ecosystem models. The variables included are monthly average maximum and minimum daily temperatures, precipitation, humidity, and solar radiation, as well as annual atmospheric deposition of sulfur and nitrogen. Equations generated from...

Insights: Tools of the Trade.

ERIC Educational Resources Information Center

Bruno, Michael J.

1988-01-01

Describes a demonstration showing the chemical reversibility between the chromate and dichromate ions. Includes reaction equations and listing of equipment needed. Recommends a demonstration for illustrating Le Chatelier's principle and stoichiometric relationships. (ML)

On chemical reaction and porous medium effect in the MHD flow due to a rotating disk with variable thickness

NASA Astrophysics Data System (ADS)

Hayat, Tasawar; Nazar, Hira; Imtiaz, Maria; Alsaedi, Ahmed

2017-06-01

The present analysis describes the magnetohydrodynamic (MHD) axisymmetric flow of a viscous fluid due to a rotating disk with variable thickness. An electrically conducting fluid fills the porous space. The first-order chemical reaction is considered. The equations of the present problem representing the flow of a fluid are reduced into nonlinear ordinary differential equations. Convergent series solutions are obtained. The impacts of the various involved dimensionless parameters on fluid flow, temperature, concentration, skin frction coefficient and Nusselt number are examined. The radial, tangential and axial components of velocity are affected in a similar manner on changing the thickness coefficient of the disk. Similar effects of the disk thickness coefficient are observed for both the temperature and concentration profile.

Dynamic balance improvement program

NASA Technical Reports Server (NTRS)

Butner, M. F.

1983-01-01

The reduction of residual unbalance in the space shuttle main engine (SSME) high pressure turbopump rotors was addressed. Elastic rotor response to unbalance and balancing requirements, multiplane and in housing balancing, and balance related rotor design considerations were assessed. Recommendations are made for near term improvement of the SSME balancing and for future study and development efforts.

Accelerating Subsurface Transport Simulation on Heterogeneous Clusters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Villa, Oreste; Gawande, Nitin A.; Tumeo, Antonino

Reactive transport numerical models simulate chemical and microbiological reactions that occur along a flowpath. These models have to compute reactions for a large number of locations. They solve the set of ordinary differential equations (ODEs) that describes the reaction for each location through the Newton-Raphson technique. This technique involves computing a Jacobian matrix and a residual vector for each set of equation, and then solving iteratively the linearized system by performing Gaussian Elimination and LU decomposition until convergence. STOMP, a well known subsurface flow simulation tool, employs matrices with sizes in the order of 100x100 elements and, for numerical accuracy,more » LU factorization with full pivoting instead of the faster partial pivoting. Modern high performance computing systems are heterogeneous machines whose nodes integrate both CPUs and GPUs, exposing unprecedented amounts of parallelism. To exploit all their computational power, applications must use both the types of processing elements. For the case of subsurface flow simulation, this mainly requires implementing efficient batched LU-based solvers and identifying efficient solutions for enabling load balancing among the different processors of the system. In this paper we discuss two approaches that allows scaling STOMP's performance on heterogeneous clusters. We initially identify the challenges in implementing batched LU-based solvers for small matrices on GPUs, and propose an implementation that fulfills STOMP's requirements. We compare this implementation to other existing solutions. Then, we combine the batched GPU solver with an OpenMP-based CPU solver, and present an adaptive load balancer that dynamically distributes the linear systems to solve between the two components inside a node. We show how these approaches, integrated into the full application, provide speed ups from 6 to 7 times on large problems, executed on up to 16 nodes of a cluster with two AMD Opteron 6272 and a Tesla M2090 per node.« less

Thermodynamic and transport properties of gaseous tetrafluoromethane in chemical equilibrium

NASA Technical Reports Server (NTRS)

Hunt, J. L.; Boney, L. R.

1973-01-01

Equations and in computer code are presented for the thermodynamic and transport properties of gaseous, undissociated tetrafluoromethane (CF4) in chemical equilibrium. The computer code calculates the thermodynamic and transport properties of CF4 when given any two of five thermodynamic variables (entropy, temperature, volume, pressure, and enthalpy). Equilibrium thermodynamic and transport property data are tabulated and pressure-enthalpy diagrams are presented.

Basic governing equations for the flight regimes of aeroassisted orbital transfer vehicles

NASA Technical Reports Server (NTRS)

Lee, J.-H.

1984-01-01

The basic governing equations for the low-density, high-enthalpy flow regimes expected in the shock layers over the heat shields of the proposed aeroassisted orbital transfer vehicles are derived by combining and extending existing theories. The conservation equations are derived from gas kinetic principles for a four-component ionized gas consisting of neutral molecules, neutral atoms, singly ionized ions, and electrons, assuming a continuum flow. The differences among translational-rotational, vibrational, and electron temperatures are accounted for, as well as chemical nonequilibrium and electric-charge separation. Expressions for convective and viscous fluxes, transport properties, and the terms representing interactions among various energy modes are given explicitly. The expressions for the rate of electron-vibration energy transfer, which violates the Landau-Teller conditions, is derived by solving the system of master equations accounting for the multiple-level transitions.

ELECTROLYTIC CORROSION OF GOLD AND THE FORMATION OF Au//2(SO//4)//3 IN CONCENTRATED SULFURIC ACID.

USGS Publications Warehouse

Senftle, Frank E.; Wright, Donald B.

1985-01-01

The authors have examined the direct anodic oxidation of gold in concentrated H//2SO//4 to more fully understand the chemical reactions. Au//2(SO//4)//3 is unstable and cannot be isolated for chemical analysis, but our experiments are consistent with the formation of Au//2(SO//4)//3 in concentrated H//2SO//4, in which it is stable. Equations describing chemical reactions which are compatible with the experimental data are presented.

Virtual Balancing for Studying and Training Postural Control

PubMed Central

Buettner, Daniela; Dalin, Daniela; Wiesmeier, Isabella K.; Maurer, Christoph

2017-01-01

Postural control during free stance has been frequently interpreted in terms of balancing an inverted pendulum. This even holds, if subjects do not balance their own, but an external body weight. We introduce here a virtual balancing apparatus, which produces torque in the ankle joint as a function of ankle angle resembling the gravity and inertial effects of free standing. As a first aim of this study, we systematically modified gravity, damping, and inertia to examine its effect on postural control beyond the physical constraints given in the real world. As a second aim, we compared virtual balancing to free stance to test its suitability for balance training in patients who are not able to balance their full body weight due to certain medical conditions. In a feasibility study, we analyzed postural control during free stance and virtual balancing in 15 healthy subjects. Postural control was characterized by spontaneous sway measures and measures of perturbed stance. During free stance, perturbations were induced by pseudorandom anterior-posterior tilts of the body support surface. In the virtual balancing task, we systematically varied the anterior-posterior position of the foot plate where the balancing forces are zero following a similar pseudorandom stimulus profile. We found that subjects' behavior during virtual balancing resembles free stance on a tilting platform. This specifically holds for the profile of body excursions as a function of stimulus frequencies. Moreover, non-linearity between stimulus and response amplitude is similar in free and virtual balancing. The overall larger stimulus induced body excursions together with an altered phase behavior between stimulus and response could be in part explained by the limited use of vestibular and visual feedback in our experimental setting. Varying gravity or damping significantly affected postural behavior. Inertia as an isolated factor had a mild effect on the response functions. We conclude that virtual balancing may be well suited to simulate conditions which could otherwise only be realized in space experiments or during parabolic flights. Further studies are needed to examine patients' potential benefit of virtual balance training. PMID:29018320

General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures.

PubMed

Liu, Yen; Panesi, Marco; Sahai, Amal; Vinokur, Marcel

2015-04-07

This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model's accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy relaxation model, which can only be applied to molecules, the new model is applicable to atoms, molecules, ions, and their mixtures. Numerical examples and model validations are carried out with two gas mixtures using the maximum entropy linear model: one mixture consists of nitrogen molecules undergoing internal excitation and dissociation and the other consists of nitrogen atoms undergoing internal excitation and ionization. Results show that the original hundreds to thousands of microscopic equations can be reduced to two macroscopic equations with almost perfect agreement for the total number density and total internal energy using only one or two groups. We also obtain good prediction of the microscopic state populations using 5-10 groups in the macroscopic equations.

Communication: Limitations of the stochastic quasi-steady-state approximation in open biochemical reaction networks

NASA Astrophysics Data System (ADS)

Thomas, Philipp; Straube, Arthur V.; Grima, Ramon

2011-11-01

It is commonly believed that, whenever timescale separation holds, the predictions of reduced chemical master equations obtained using the stochastic quasi-steady-state approximation are in very good agreement with the predictions of the full master equations. We use the linear noise approximation to obtain a simple formula for the relative error between the predictions of the two master equations for the Michaelis-Menten reaction with substrate input. The reduced approach is predicted to overestimate the variance of the substrate concentration fluctuations by as much as 30%. The theoretical results are validated by stochastic simulations using experimental parameter values for enzymes involved in proteolysis, gluconeogenesis, and fermentation.

Pdf - Transport equations for chemically reacting flows

NASA Technical Reports Server (NTRS)

Kollmann, W.

1989-01-01

The closure problem for the transport equations for pdf and the characteristic functions of turbulent, chemically reacting flows is addressed. The properties of the linear and closed equations for the characteristic functional for Eulerian and Lagrangian variables are established, and the closure problem for the finite-dimensional case is discussed for pdf and characteristic functions. It is shown that the closure for the scalar dissipation term in the pdf equation developed by Dopazo (1979) and Kollmann et al. (1982) results in a single integral, in contrast to the pdf, where double integration is required. Some recent results using pdf methods obtained for turbulent flows with combustion, including effects of chemical nonequilibrium, are discussed.

Modeling of coupled differential equations for cellular chemical signaling pathways: Implications for assay protocols utilized in cellular engineering.

PubMed

O'Clock, George D

2016-08-01

Cellular engineering involves modification and control of cell properties, and requires an understanding of fundamentals and mechanisms of action for cellular derived product development. One of the keys to success in cellular engineering involves the quality and validity of results obtained from cell chemical signaling pathway assays. The accuracy of the assay data cannot be verified or assured if the effect of positive feedback, nonlinearities, and interrelationships between cell chemical signaling pathway elements are not understood, modeled, and simulated. Nonlinearities and positive feedback in the cell chemical signaling pathway can produce significant aberrations in assay data collection. Simulating the pathway can reveal potential instability problems that will affect assay results. A simulation, using an electrical analog for the coupled differential equations representing each segment of the pathway, provides an excellent tool for assay validation purposes. With this approach, voltages represent pathway enzyme concentrations and operational amplifier feedback resistance and input resistance values determine pathway gain and rate constants. The understanding provided by pathway modeling and simulation is strategically important in order to establish experimental controls for assay protocol structure, time frames specified between assays, and assay concentration variation limits; to ensure accuracy and reproducibility of results.

Kinetic Model of Growth of Arthropoda Populations

NASA Astrophysics Data System (ADS)

Ershov, Yu. A.; Kuznetsov, M. A.

2018-05-01

Kinetic equations were derived for calculating the growth of crustacean populations ( Crustacea) based on the biological growth model suggested earlier using shrimp ( Caridea) populations as an example. The development cycle of successive stages for populations can be represented in the form of quasi-chemical equations. The kinetic equations that describe the development cycle of crustaceans allow quantitative prediction of the development of populations depending on conditions. In contrast to extrapolation-simulation models, in the developed kinetic model of biological growth the kinetic parameters are the experimental characteristics of population growth. Verification and parametric identification of the developed model on the basis of the experimental data showed agreement with experiment within the error of the measurement technique.

Unbalance Response Analysis and Experimental Validation of an Ultra High Speed Motor-Generator for Microturbine Generators Considering Balancing

PubMed Central

Hong, Do-Kwan; Joo, Dae-Suk; Woo, Byung-Chul; Koo, Dae-Hyun; Ahn, Chan-Woo

2014-01-01

The objective of the present study was to deal with the rotordynamics of the rotor of an ultra-high speed PM type synchronous motor-generator for a 500 W rated micro gas turbine generator. This paper introduces dynamic analysis, and experiments on the motor-generator. The focus is placed on an analytical approach considering the mechanical dynamic problems. It is essential to deal with dynamic stability at ultra-high speeds. Unbalance response analysis is performed by calculating the unbalance with and without balancing using a balancing machine. Critical speed analysis is performed to determine the operating speed with sufficient separation margin. The unbalance response analysis is compared with the experimental results considering the balancing grade (ISO 1940-1) and predicted vibration displacement with and without balancing. Based on these results, a high-speed motor-generator was successfully developed. PMID:25177804

Allometric Equations for Aboveground and Belowground Biomass Estimations in an Evergreen Forest in Vietnam.

PubMed

Nam, Vu Thanh; van Kuijk, Marijke; Anten, Niels P R

2016-01-01

Allometric regression models are widely used to estimate tropical forest biomass, but balancing model accuracy with efficiency of implementation remains a major challenge. In addition, while numerous models exist for aboveground mass, very few exist for roots. We developed allometric equations for aboveground biomass (AGB) and root biomass (RB) based on 300 (of 45 species) and 40 (of 25 species) sample trees respectively, in an evergreen forest in Vietnam. The biomass estimations from these local models were compared to regional and pan-tropical models. For AGB we also compared local models that distinguish functional types to an aggregated model, to assess the degree of specificity needed in local models. Besides diameter at breast height (DBH) and tree height (H), wood density (WD) was found to be an important parameter in AGB models. Existing pan-tropical models resulted in up to 27% higher estimates of AGB, and overestimated RB by nearly 150%, indicating the greater accuracy of local models at the plot level. Our functional group aggregated local model which combined data for all species, was as accurate in estimating AGB as functional type specific models, indicating that a local aggregated model is the best choice for predicting plot level AGB in tropical forests. Finally our study presents the first allometric biomass models for aboveground and root biomass in forests in Vietnam.

Adaptive Load-Balancing Algorithms using Symmetric Broadcast Networks

NASA Technical Reports Server (NTRS)

Das, Sajal K.; Harvey, Daniel J.; Biswas, Rupak; Biegel, Bryan A. (Technical Monitor)

2002-01-01

In a distributed computing environment, it is important to ensure that the processor workloads are adequately balanced, Among numerous load-balancing algorithms, a unique approach due to Das and Prasad defines a symmetric broadcast network (SBN) that provides a robust communication pattern among the processors in a topology-independent manner. In this paper, we propose and analyze three efficient SBN-based dynamic load-balancing algorithms, and implement them on an SGI Origin2000. A thorough experimental study with Poisson distributed synthetic loads demonstrates that our algorithms are effective in balancing system load. By optimizing completion time and idle time, the proposed algorithms are shown to compare favorably with several existing approaches.

Dynamic load balancing of applications

DOEpatents

Wheat, S.R.

1997-05-13

An application-level method for dynamically maintaining global load balance on a parallel computer, particularly on massively parallel MIMD computers is disclosed. Global load balancing is achieved by overlapping neighborhoods of processors, where each neighborhood performs local load balancing. The method supports a large class of finite element and finite difference based applications and provides an automatic element management system to which applications are easily integrated. 13 figs.

Nonequilibrium thermo-chemical calculations using a diagonal implicit scheme

NASA Technical Reports Server (NTRS)

Imlay, Scott T.; Roberts, Donald W.; Soetrisno, Moeljo; Eberhardt, Scott

1991-01-01

A recently developed computer program for hypersonic vehicle flow analysis is described. The program uses a diagonal implicit algorithm to solve the equations of viscous flow for a gas in thermochemical nonequilibrium. The diagonal scheme eliminates the expense of inverting large block matrices that arise when species conservation equations are introduced. The program uses multiple zones of grids patched together and includes radiation wall and rarefied gas boundary conditions. Solutions are presented for hypersonic flows of air and hydrogen air mixtures.

Compact scheme for systems of equations applied to fundamental problems of mechanics of continua

NASA Technical Reports Server (NTRS)

Klimkowski, Jerzy Z.

1990-01-01

Compact scheme formulation was used in the treatment of boundary conditions for a system of coupled diffusion and Poisson equations. Models and practical solutions of specific engineering problems arising in solid mechanics, chemical engineering, heat transfer and fuid mechanics are described and analyzed for efficiency and accuracy. Only 2-D cases are discussed and a new method of numerical treatment of boundary conditions common in the fundamental problems of mechanics of continua is presented.

Load Balancing in Structured P2P Networks

NASA Astrophysics Data System (ADS)

Zhu, Yingwu

In this chapter we start by addressing the importance and necessity of load balancing in structured P2P networks, due to three main reasons. First, structured P2P networks assume uniform peer capacities while peer capacities are heterogeneous in deployed P2P networks. Second, resorting to pseudo-uniformity of the hash function used to generate node IDs and data item keys leads to imbalanced overlay address space and item distribution. Lastly, placement of data items cannot be randomized in some applications (e.g., range searching). We then present an overview of load aggregation and dissemination techniques that are required by many load balancing algorithms. Two techniques are discussed including tree structure-based approach and gossip-based approach. They make different tradeoffs between estimate/aggregate accuracy and failure resilience. To address the issue of load imbalance, three main solutions are described: virtual server-based approach, power of two choices, and address-space and item balancing. While different in their designs, they all aim to improve balance on the address space and data item distribution. As a case study, the chapter discusses a virtual server-based load balancing algorithm that strives to ensure fair load distribution among nodes and minimize load balancing cost in bandwidth. Finally, the chapter concludes with future research and a summary.

A Computational Modeling Approach for Investigating Soft Tissue Balancing in Bicruciate Retaining Knee Arthroplasty

PubMed Central

Amiri, Shahram; Wilson, David R.

2012-01-01

Bicruciate retaining knee arthroplasty, although has shown improved functions and patient satisfaction compared to other designs of total knee replacement, remains a technically demanding option for treating severe cases of arthritic knees. One of the main challenges in bicruciate retaining arthroplasty is proper balancing of the soft tissue during the surgery. In this study biomechanics of soft tissue balancing was investigated using a validated computational model of the knee joint with high fidelity definitions of the soft tissue structures along with a Taguchi method for design of experiments. The model was used to simulate intraoperative balancing of soft tissue structures following the combinations suggested by an orthogonal array design. The results were used to quantify the corresponding effects on the laxity of the joint under anterior-posterior, internal-external, and varus-valgus loads. These effects were ranked for each ligament bundle to identify the components of laxity which were most sensitive to the corresponding surgical modifications. The resulting map of sensitivity for all the ligament bundles determined the components of laxity most suitable for examination during intraoperative balancing of the soft tissue. Ultimately, a sequence for intraoperative soft tissue balancing was suggested for a bicruciate retaining knee arthroplasty. PMID:23082090

Balancing Score Adjusted Targeted Minimum Loss-based Estimation

PubMed Central

Lendle, Samuel David; Fireman, Bruce; van der Laan, Mark J.

2015-01-01

Adjusting for a balancing score is sufficient for bias reduction when estimating causal effects including the average treatment effect and effect among the treated. Estimators that adjust for the propensity score in a nonparametric way, such as matching on an estimate of the propensity score, can be consistent when the estimated propensity score is not consistent for the true propensity score but converges to some other balancing score. We call this property the balancing score property, and discuss a class of estimators that have this property. We introduce a targeted minimum loss-based estimator (TMLE) for a treatment-specific mean with the balancing score property that is additionally locally efficient and doubly robust. We investigate the new estimator’s performance relative to other estimators, including another TMLE, a propensity score matching estimator, an inverse probability of treatment weighted estimator, and a regression-based estimator in simulation studies. PMID:26561539

Exact results in the large system size limit for the dynamics of the chemical master equation, a one dimensional chain of equations.

PubMed

Martirosyan, A; Saakian, David B

2011-08-01

We apply the Hamilton-Jacobi equation (HJE) formalism to solve the dynamics of the chemical master equation (CME). We found exact analytical expressions (in large system-size limit) for the probability distribution, including explicit expression for the dynamics of variance of distribution. We also give the solution for some simple cases of the model with time-dependent rates. We derived the results of the Van Kampen method from the HJE approach using a special ansatz. Using the Van Kampen method, we give a system of ordinary differential equations (ODEs) to define the variance in a two-dimensional case. We performed numerics for the CME with stationary noise. We give analytical criteria for the disappearance of bistability in the case of stationary noise in one-dimensional CMEs.

Dynamic load balancing of applications

DOEpatents

Wheat, Stephen R.

1997-01-01

An application-level method for dynamically maintaining global load balance on a parallel computer, particularly on massively parallel MIMD computers. Global load balancing is achieved by overlapping neighborhoods of processors, where each neighborhood performs local load balancing. The method supports a large class of finite element and finite difference based applications and provides an automatic element management system to which applications are easily integrated.

Exact comprehensive equations for the photon management properties of silicon nanowire

PubMed Central

Li, Yingfeng; Li, Meicheng; Li, Ruike; Fu, Pengfei; Wang, Tai; Luo, Younan; Mbengue, Joseph Michel; Trevor, Mwenya

2016-01-01

Unique photon management (PM) properties of silicon nanowire (SiNW) make it an attractive building block for a host of nanowire photonic devices including photodetectors, chemical and gas sensors, waveguides, optical switches, solar cells, and lasers. However, the lack of efficient equations for the quantitative estimation of the SiNW’s PM properties limits the rational design of such devices. Herein, we establish comprehensive equations to evaluate several important performance features for the PM properties of SiNW, based on theoretical simulations. Firstly, the relationships between the resonant wavelengths (RW), where SiNW can harvest light most effectively, and the size of SiNW are formulized. Then, equations for the light-harvesting efficiency at RW, which determines the single-frequency performance limit of SiNW-based photonic devices, are established. Finally, equations for the light-harvesting efficiency of SiNW in full-spectrum, which are of great significance in photovoltaics, are established. Furthermore, using these equations, we have derived four extra formulas to estimate the optimal size of SiNW in light-harvesting. These equations can reproduce majority of the reported experimental and theoretical results with only ~5% error deviations. Our study fills up a gap in quantitatively predicting the SiNW’s PM properties, which will contribute significantly to its practical applications. PMID:27103087

Numerical study of hydrogen-air supersonic combustion by using elliptic and parabolized equations

NASA Technical Reports Server (NTRS)

Chitsomboon, T.; Tiwari, S. N.

1986-01-01

The two-dimensional Navier-Stokes and species continuity equations are used to investigate supersonic chemically reacting flow problems which are related to scramjet-engine configurations. A global two-step finite-rate chemistry model is employed to represent the hydrogen-air combustion in the flow. An algebraic turbulent model is adopted for turbulent flow calculations. The explicit unsplit MacCormack finite-difference algorithm is used to develop a computer program suitable for a vector processing computer. The computer program developed is then used to integrate the system of the governing equations in time until convergence is attained. The chemistry source terms in the species continuity equations are evaluated implicitly to alleviate stiffness associated with fast chemical reactions. The problems solved by the elliptic code are re-investigated by using a set of two-dimensional parabolized Navier-Stokes and species equations. A linearized fully-coupled fully-implicit finite difference algorithm is used to develop a second computer code which solves the governing equations by marching in spce rather than time, resulting in a considerable saving in computer resources. Results obtained by using the parabolized formulation are compared with the results obtained by using the fully-elliptic equations. The comparisons indicate fairly good agreement of the results of the two formulations.

A coupled model of transport-reaction-mechanics with trapping. Part I - Small strain analysis

NASA Astrophysics Data System (ADS)

Salvadori, A.; McMeeking, R.; Grazioli, D.; Magri, M.

2018-05-01

A fully coupled model for mass and heat transport, mechanics, and chemical reactions with trapping is proposed. It is rooted in non-equilibrium rational thermodynamics and assumes that displacements and strains are small. Balance laws for mass, linear and angular momentum, energy, and entropy are stated. Thermodynamic restrictions are identified, based on an additive strain decomposition and on the definition of the Helmholtz free energy. Constitutive theory and chemical kinetics are studied in order to finally write the governing equations for the multi-physics problem. The field equations are solved numerically with the finite element method, stemming from a three-fields variational formulation. Three case-studies on vacancies redistribution in metals, hydrogen embrittlement, and the charge-discharge of active particles in Li-ion batteries demonstrate the features and the potential of the proposed model.

Unsteady Heat and Mass Transfer of Chemically Reacting Micropolar Fluid in a Porous Channel with Hall and Ion Slip Currents

PubMed Central

2014-01-01

This paper presents an incompressible two-dimensional heat and mass transfer of an electrically conducting micropolar fluid flow in a porous medium between two parallel plates with chemical reaction, Hall and ion slip effects. Let there be periodic injection or suction at the lower and upper plates and the nonuniform temperature and concentration at the plates are varying periodically with time. The flow field equations are reduced to nonlinear ordinary differential equations using similarity transformations and then solved numerically by quasilinearization technique. The profiles of velocity components, microrotation, temperature distribution and concentration are studied for different values of fluid and geometric parameters such as Hartmann number, Hall and ion slip parameters, inverse Darcy parameter, Prandtl number, Schmidt number, and chemical reaction rate and shown in the form of graphs. PMID:27419211

Allometric Equations for Aboveground and Belowground Biomass Estimations in an Evergreen Forest in Vietnam

PubMed Central

Nam, Vu Thanh; van Kuijk, Marijke; Anten, Niels P. R.

2016-01-01

Allometric regression models are widely used to estimate tropical forest biomass, but balancing model accuracy with efficiency of implementation remains a major challenge. In addition, while numerous models exist for aboveground mass, very few exist for roots. We developed allometric equations for aboveground biomass (AGB) and root biomass (RB) based on 300 (of 45 species) and 40 (of 25 species) sample trees respectively, in an evergreen forest in Vietnam. The biomass estimations from these local models were compared to regional and pan-tropical models. For AGB we also compared local models that distinguish functional types to an aggregated model, to assess the degree of specificity needed in local models. Besides diameter at breast height (DBH) and tree height (H), wood density (WD) was found to be an important parameter in AGB models. Existing pan-tropical models resulted in up to 27% higher estimates of AGB, and overestimated RB by nearly 150%, indicating the greater accuracy of local models at the plot level. Our functional group aggregated local model which combined data for all species, was as accurate in estimating AGB as functional type specific models, indicating that a local aggregated model is the best choice for predicting plot level AGB in tropical forests. Finally our study presents the first allometric biomass models for aboveground and root biomass in forests in Vietnam. PMID:27309718

Hamiltonian formulation of systems with balanced loss-gain and exactly solvable models

NASA Astrophysics Data System (ADS)

Ghosh, Pijush K.; Sinha, Debdeep

2018-01-01

A Hamiltonian formulation of generic many-body systems with balanced loss and gain is presented. It is shown that a Hamiltonian formulation is possible only if the balancing of loss and gain terms occurs in a pairwise fashion. It is also shown that with the choice of a suitable co-ordinate, the Hamiltonian can always be reformulated in the background of a pseudo-Euclidean metric. If the equations of motion of some of the well-known many-body systems like Calogero models are generalized to include balanced loss and gain, it appears that the same may not be amenable to a Hamiltonian formulation. A few exactly solvable systems with balanced loss and gain, along with a set of integrals of motion are constructed. The examples include a coupled chain of nonlinear oscillators and a many-particle Calogero-type model with four-body inverse square plus two-body pair-wise harmonic interactions. For the case of nonlinear oscillators, stable solution exists even if the loss and gain parameter has unbounded upper range. Further, the range of the parameter for which the stable solutions are obtained is independent of the total number of the oscillators. The set of coupled nonlinear equations are solved exactly for the case when the values of all the constants of motions except the Hamiltonian are equal to zero. Exact, analytical classical solutions are presented for all the examples considered.

MSC/NASTRAN DMAP Alter Used for Closed-Form Static Analysis With Inertia Relief and Displacement-Dependent Loads

NASA Technical Reports Server (NTRS)

1996-01-01

Solving for the displacements of free-free coupled systems acted upon by static loads is a common task in the aerospace industry. Often, these problems are solved by static analysis with inertia relief. This technique allows for a free-free static analysis by balancing the applied loads with the inertia loads generated by the applied loads. For some engineering applications, the displacements of the free-free coupled system induce additional static loads. Hence, the applied loads are equal to the original loads plus the displacement-dependent loads. A launch vehicle being acted upon by an aerodynamic loading can have such applied loads. The final displacements of such systems are commonly determined with iterative solution techniques. Unfortunately, these techniques can be time consuming and labor intensive. Because the coupled system equations for free-free systems with displacement-dependent loads can be written in closed form, it is advantageous to solve for the displacements in this manner. Implementing closed-form equations in static analysis with inertia relief is analogous to implementing transfer functions in dynamic analysis. An MSC/NASTRAN (MacNeal-Schwendler Corporation/NASA Structural Analysis) DMAP (Direct Matrix Abstraction Program) Alter was used to include displacement-dependent loads in static analysis with inertia relief. It efficiently solved a common aerospace problem that typically has been solved with an iterative technique.

An integrated tool to support engineers for WMSDs risk assessment during the assembly line balancing.

PubMed

Di Benedetto, Raffaele; Fanti, Michele

2012-01-01

This paper wants to present an integrated approach to Line Balancing and Risk Assessment and a Software Tool named ErgoAnalysis that makes it easy to control the whole production process and produces a Risk Index for the actual work tasks in an Assembly Line. Assembly Line Balancing, or simply Line Balancing, is the problem of assigning operations to workstations along an assembly line, in such a way that the assignment be optimal in some sense. Assembly lines are characterized by production constraints and restrictions due to several aspects such as the nature of the product and the flow of orders. To be able to respond effectively to the needs of production, companies need to frequently change the workload and production models. Each manufacturing process might be quite different from another. To optimize very specific operations, assembly line balancing might utilize a number of methods and the Engineer must consider ergonomic constraints, in order to reduce the risk of WMDSs. Risk Assessment may result very expensive because the Engineer must evaluate it at every change. ErgoAnalysis can reduce cost and improve effectiveness in Risk Assessment during the Line Balancing.

Dynamic Load Balancing For Grid Partitioning on a SP-2 Multiprocessor: A Framework

NASA Technical Reports Server (NTRS)

Sohn, Andrew; Simon, Horst; Lasinski, T. A. (Technical Monitor)

1994-01-01

Computational requirements of full scale computational fluid dynamics change as computation progresses on a parallel machine. The change in computational intensity causes workload imbalance of processors, which in turn requires a large amount of data movement at runtime. If parallel CFD is to be successful on a parallel or massively parallel machine, balancing of the runtime load is indispensable. Here a framework is presented for dynamic load balancing for CFD applications, called Jove. One processor is designated as a decision maker Jove while others are assigned to computational fluid dynamics. Processors running CFD send flags to Jove in a predetermined number of iterations to initiate load balancing. Jove starts working on load balancing while other processors continue working with the current data and load distribution. Jove goes through several steps to decide if the new data should be taken, including preliminary evaluate, partition, processor reassignment, cost evaluation, and decision. Jove running on a single IBM SP2 node has been completely implemented. Preliminary experimental results show that the Jove approach to dynamic load balancing can be effective for full scale grid partitioning on the target machine IBM SP2.

Dynamic Load Balancing for Grid Partitioning on a SP-2 Multiprocessor: A Framework

NASA Technical Reports Server (NTRS)

Sohn, Andrew; Simon, Horst; Lasinski, T. A. (Technical Monitor)

1994-01-01

Computational requirements of full scale computational fluid dynamics change as computation progresses on a parallel machine. The change in computational intensity causes workload imbalance of processors, which in turn requires a large amount of data movement at runtime. If parallel CFD is to be successful on a parallel or massively parallel machine, balancing of the runtime load is indispensable. Here a framework is presented for dynamic load balancing for CFD applications, called Jove. One processor is designated as a decision maker Jove while others are assigned to computational fluid dynamics. Processors running CFD send flags to Jove in a predetermined number of iterations to initiate load balancing. Jove starts working on load balancing while other processors continue working with the current data and load distribution. Jove goes through several steps to decide if the new data should be taken, including preliminary evaluate, partition, processor reassignment, cost evaluation, and decision. Jove running on a single EBM SP2 node has been completely implemented. Preliminary experimental results show that the Jove approach to dynamic load balancing can be effective for full scale grid partitioning on the target machine IBM SP2.

Master equations and the theory of stochastic path integrals.

PubMed

Weber, Markus F; Frey, Erwin

2017-04-01

This review provides a pedagogic and self-contained introduction to master equations and to their representation by path integrals. Since the 1930s, master equations have served as a fundamental tool to understand the role of fluctuations in complex biological, chemical, and physical systems. Despite their simple appearance, analyses of master equations most often rely on low-noise approximations such as the Kramers-Moyal or the system size expansion, or require ad-hoc closure schemes for the derivation of low-order moment equations. We focus on numerical and analytical methods going beyond the low-noise limit and provide a unified framework for the study of master equations. After deriving the forward and backward master equations from the Chapman-Kolmogorov equation, we show how the two master equations can be cast into either of four linear partial differential equations (PDEs). Three of these PDEs are discussed in detail. The first PDE governs the time evolution of a generalized probability generating function whose basis depends on the stochastic process under consideration. Spectral methods, WKB approximations, and a variational approach have been proposed for the analysis of the PDE. The second PDE is novel and is obeyed by a distribution that is marginalized over an initial state. It proves useful for the computation of mean extinction times. The third PDE describes the time evolution of a 'generating functional', which generalizes the so-called Poisson representation. Subsequently, the solutions of the PDEs are expressed in terms of two path integrals: a 'forward' and a 'backward' path integral. Combined with inverse transformations, one obtains two distinct path integral representations of the conditional probability distribution solving the master equations. We exemplify both path integrals in analysing elementary chemical reactions. Moreover, we show how a well-known path integral representation of averaged observables can be recovered from them. Upon expanding the forward and the backward path integrals around stationary paths, we then discuss and extend a recent method for the computation of rare event probabilities. Besides, we also derive path integral representations for processes with continuous state spaces whose forward and backward master equations admit Kramers-Moyal expansions. A truncation of the backward expansion at the level of a diffusion approximation recovers a classic path integral representation of the (backward) Fokker-Planck equation. One can rewrite this path integral in terms of an Onsager-Machlup function and, for purely diffusive Brownian motion, it simplifies to the path integral of Wiener. To make this review accessible to a broad community, we have used the language of probability theory rather than quantum (field) theory and do not assume any knowledge of the latter. The probabilistic structures underpinning various technical concepts, such as coherent states, the Doi-shift, and normal-ordered observables, are thereby made explicit.

Master equations and the theory of stochastic path integrals

NASA Astrophysics Data System (ADS)

Weber, Markus F.; Frey, Erwin

2017-04-01

This review provides a pedagogic and self-contained introduction to master equations and to their representation by path integrals. Since the 1930s, master equations have served as a fundamental tool to understand the role of fluctuations in complex biological, chemical, and physical systems. Despite their simple appearance, analyses of master equations most often rely on low-noise approximations such as the Kramers-Moyal or the system size expansion, or require ad-hoc closure schemes for the derivation of low-order moment equations. We focus on numerical and analytical methods going beyond the low-noise limit and provide a unified framework for the study of master equations. After deriving the forward and backward master equations from the Chapman-Kolmogorov equation, we show how the two master equations can be cast into either of four linear partial differential equations (PDEs). Three of these PDEs are discussed in detail. The first PDE governs the time evolution of a generalized probability generating function whose basis depends on the stochastic process under consideration. Spectral methods, WKB approximations, and a variational approach have been proposed for the analysis of the PDE. The second PDE is novel and is obeyed by a distribution that is marginalized over an initial state. It proves useful for the computation of mean extinction times. The third PDE describes the time evolution of a ‘generating functional’, which generalizes the so-called Poisson representation. Subsequently, the solutions of the PDEs are expressed in terms of two path integrals: a ‘forward’ and a ‘backward’ path integral. Combined with inverse transformations, one obtains two distinct path integral representations of the conditional probability distribution solving the master equations. We exemplify both path integrals in analysing elementary chemical reactions. Moreover, we show how a well-known path integral representation of averaged observables can be recovered from them. Upon expanding the forward and the backward path integrals around stationary paths, we then discuss and extend a recent method for the computation of rare event probabilities. Besides, we also derive path integral representations for processes with continuous state spaces whose forward and backward master equations admit Kramers-Moyal expansions. A truncation of the backward expansion at the level of a diffusion approximation recovers a classic path integral representation of the (backward) Fokker-Planck equation. One can rewrite this path integral in terms of an Onsager-Machlup function and, for purely diffusive Brownian motion, it simplifies to the path integral of Wiener. To make this review accessible to a broad community, we have used the language of probability theory rather than quantum (field) theory and do not assume any knowledge of the latter. The probabilistic structures underpinning various technical concepts, such as coherent states, the Doi-shift, and normal-ordered observables, are thereby made explicit.

Hot QCD equations of state and relativistic heavy ion collisions

NASA Astrophysics Data System (ADS)

Chandra, Vinod; Kumar, Ravindra; Ravishankar, V.

2007-11-01

We study two recently proposed equations of state obtained from high-temperature QCD and show how they can be adapted to use them for making predictions for relativistic heavy ion collisions. The method involves extracting equilibrium distribution functions for quarks and gluons from the equation of state (EOS), which in turn will allow a determination of the transport and other bulk properties of the quark gluon-plasma. Simultaneously, the method also yields a quasiparticle description of interacting quarks and gluons. The first EOS is perturbative in the QCD coupling constant and has contributions of O(g5). The second EOS is an improvement over the first, with contributions up to O[g6ln(1/g)]; it incorporates the nonperturbative hard thermal contributions. The interaction effects are shown to be captured entirely by the effective chemical potentials for the gluons and the quarks, in both cases. The chemical potential is seen to be highly sensitive to the EOS. As an application, we determine the screening lengths, which are, indeed, the most important diagnostics for QGP. The screening lengths are seen to behave drastically differently depending on the EOS considered and therefore yield a way to distinguish the two equations of state in heavy ion collisions.

A novel simulation theory and model system for multi-field coupling pipe-flow system

NASA Astrophysics Data System (ADS)

Chen, Yang; Jiang, Fan; Cai, Guobiao; Xu, Xu

2017-09-01

Due to the lack of a theoretical basis for multi-field coupling in many system-level models, a novel set of system-level basic equations for flow/heat transfer/combustion coupling is put forward. Then a finite volume model of quasi-1D transient flow field for multi-species compressible variable-cross-section pipe flow is established by discretising the basic equations on spatially staggered grids. Combining with the 2D axisymmetric model for pipe-wall temperature field and specific chemical reaction mechanisms, a finite volume model system is established; a set of specific calculation methods suitable for multi-field coupling system-level research is structured for various parameters in this model; specific modularisation simulation models can be further derived in accordance with specific structures of various typical components in a liquid propulsion system. This novel system can also be used to derive two sub-systems: a flow/heat transfer two-field coupling pipe-flow model system without chemical reaction and species diffusion; and a chemical equilibrium thermodynamic calculation-based multi-field coupling system. The applicability and accuracy of two sub-systems have been verified through a series of dynamic modelling and simulations in earlier studies. The validity of this system is verified in an air-hydrogen combustion sample system. The basic equations and the model system provide a unified universal theory and numerical system for modelling and simulation and even virtual testing of various pipeline systems.

Kinetics of Heterogeneous Chemical Reactions: A Theoretical Model for the Accumulation of Pesticides in Soil

PubMed Central

Lin, S. H.; Sahai, R.; Eyring, H.

1971-01-01

A theoretical model for the accumulation of pesticides in soil has been proposed and discussed from the viewpoint of heterogeneous reaction kinetics with a basic aim to understand the complex nature of soil processes relating to the environmental pollution. In the bulk of soil, the pesticide disappears by diffusion and a chemical reaction; the rate processes considered on the surface of soil are diffusion, chemical reaction, vaporization, and regular pesticide application. The differential equations involved have been solved analytically by the Laplace-transform method. PMID:5279519

The Influencing Factor Analysis on the Performance Evaluation of Assembly Line Balancing Problem Level 1 (SALBP-1) Based on ANOVA Method

NASA Astrophysics Data System (ADS)

Chen, Jie; Hu, Jiangnan

2017-06-01

Industry 4.0 and lean production has become the focus of manufacturing. A current issue is to analyse the performance of the assembly line balancing. This study focus on distinguishing the factors influencing the assembly line balancing. The one-way ANOVA method is applied to explore the significant degree of distinguished factors. And regression model is built to find key points. The maximal task time (tmax ), the quantity of tasks (n), and degree of convergence of precedence graph (conv) are critical for the performance of assembly line balancing. The conclusion will do a favor to the lean production in the manufacturing.

Solutions of the chemical kinetic equations for initially inhomogeneous mixtures.

NASA Technical Reports Server (NTRS)

Hilst, G. R.

1973-01-01

Following the recent discussions by O'Brien (1971) and Donaldson and Hilst (1972) of the effects of inhomogeneous mixing and turbulent diffusion on simple chemical reaction rates, the present report provides a more extensive analysis of when inhomogeneous mixing has a significant effect on chemical reaction rates. The analysis is then extended to the development of an approximate chemical sub-model which provides much improved predictions of chemical reaction rates over a wide range of inhomogeneities and pathological distributions of the concentrations of the reacting chemical species. In particular, the development of an approximate representation of the third-order correlations of the joint concentration fluctuations permits closure of the chemical sub-model at the level of the second-order moments of these fluctuations and the mean concentrations.

Kinetics of heterogeneous chemical reactions: a theoretical model for the accumulation of pesticides in soil.

PubMed

Lin, S H; Sahai, R; Eyring, H

1971-04-01

A theoretical model for the accumulation of pesticides in soil has been proposed and discussed from the viewpoint of heterogeneous reaction kinetics with a basic aim to understand the complex nature of soil processes relating to the environmental pollution. In the bulk of soil, the pesticide disappears by diffusion and a chemical reaction; the rate processes considered on the surface of soil are diffusion, chemical reaction, vaporization, and regular pesticide application. The differential equations involved have been solved analytically by the Laplace-transform method.

Physical and numerical sources of computational inefficiency in integration of chemical kinetic rate equations: Etiology, treatment and prognosis

NASA Technical Reports Server (NTRS)

Pratt, D. T.; Radhakrishnan, K.

1986-01-01

The design of a very fast, automatic black-box code for homogeneous, gas-phase chemical kinetics problems requires an understanding of the physical and numerical sources of computational inefficiency. Some major sources reviewed in this report are stiffness of the governing ordinary differential equations (ODE's) and its detection, choice of appropriate method (i.e., integration algorithm plus step-size control strategy), nonphysical initial conditions, and too frequent evaluation of thermochemical and kinetic properties. Specific techniques are recommended (and some advised against) for improving or overcoming the identified problem areas. It is argued that, because reactive species increase exponentially with time during induction, and all species exhibit asymptotic, exponential decay with time during equilibration, exponential-fitted integration algorithms are inherently more accurate for kinetics modeling than classical, polynomial-interpolant methods for the same computational work. But current codes using the exponential-fitted method lack the sophisticated stepsize-control logic of existing black-box ODE solver codes, such as EPISODE and LSODE. The ultimate chemical kinetics code does not exist yet, but the general characteristics of such a code are becoming apparent.

A new mathematical solution for predicting char activation reactions

USGS Publications Warehouse

Rafsanjani, H.H.; Jamshidi, E.; Rostam-Abadi, M.

2002-01-01

The differential conservation equations that describe typical gas-solid reactions, such as activation of coal chars, yield a set of coupled second-order partial differential equations. The solution of these coupled equations by exact analytical methods is impossible. In addition, an approximate or exact solution only provides predictions for either reaction- or diffusion-controlling cases. A new mathematical solution, the quantize method (QM), was applied to predict the gasification rates of coal char when both chemical reaction and diffusion through the porous char are present. Carbon conversion rates predicted by the QM were in closer agreement with the experimental data than those predicted by the random pore model and the simple particle model. ?? 2002 Elsevier Science Ltd. All rights reserved.

Determining "small parameters" for quasi-steady state

NASA Astrophysics Data System (ADS)

Goeke, Alexandra; Walcher, Sebastian; Zerz, Eva

2015-08-01

For a parameter-dependent system of ordinary differential equations we present a systematic approach to the determination of parameter values near which singular perturbation scenarios (in the sense of Tikhonov and Fenichel) arise. We call these special values Tikhonov-Fenichel parameter values. The principal application we intend is to equations that describe chemical reactions, in the context of quasi-steady state (or partial equilibrium) settings. Such equations have rational (or even polynomial) right-hand side. We determine the structure of the set of Tikhonov-Fenichel parameter values as a semi-algebraic set, and present an algorithmic approach to their explicit determination, using Groebner bases. Examples and applications (which include the irreversible and reversible Michaelis-Menten systems) illustrate that the approach is rather easy to implement.

Statistical experiments using the multiple regression research for prediction of proper hardness in areas of phosphorus cast-iron brake shoes manufacturing

NASA Astrophysics Data System (ADS)

Kiss, I.; Cioată, V. G.; Ratiu, S. A.; Rackov, M.; Penčić, M.

2018-01-01

Multivariate research is important in areas of cast-iron brake shoes manufacturing, because many variables interact with each other simultaneously. This article focuses on expressing the multiple linear regression model related to the hardness assurance by the chemical composition of the phosphorous cast irons destined to the brake shoes, having in view that the regression coefficients will illustrate the unrelated contributions of each independent variable towards predicting the dependent variable. In order to settle the multiple correlations between the hardness of the cast-iron brake shoes, and their chemical compositions several regression equations has been proposed. Is searched a mathematical solution which can determine the optimum chemical composition for the hardness desirable values. Starting from the above-mentioned affirmations two new statistical experiments are effectuated related to the values of Phosphorus [P], Manganese [Mn] and Silicon [Si]. Therefore, the regression equations, which describe the mathematical dependency between the above-mentioned elements and the hardness, are determined. As result, several correlation charts will be revealed.

Accelerating Calculations of Reaction Dissipative Particle Dynamics in LAMMPS

DTIC Science & Technology

2017-05-17

order reaction mechanism, the best acceleration was 6.1 times. For a larger, more chemically detailed mechanism, the best acceleration exceeded 60 times...simulations at previously inaccessible scales. A principle feature of DPD-RX is its ability to model chemical reactions within each CG particle. The...change in composition due to chemical reactions is described by a system of ordinary differential equations (ODEs) that are evaluated at each DPD time

Thermal Stresses 97: Proceedings of the Second International Symposium on Thermal Stresses and Related Topics.

DTIC Science & Technology

1997-06-11

chemical changes in concrete. This has not been modelled here. teflan«l««*(MP3) ’< & i! i...Equations, Wiley, London, 1969. (8) ZienMewicz, O.C., The Finite Element Method in Engeneering Science, McGraw- Hill, New York, 1971. (9) Strang, G...material. The chemical composition and the strength values of both materials are given in Table 1. Sheet metal strips of 300x90x10 mm prepared for

Evaluation of the National Research Council (2001) dairy model and derivation of new prediction equations. 1. Digestibility of fiber, fat, protein, and nonfiber carbohydrate.

PubMed

White, R R; Roman-Garcia, Y; Firkins, J L; VandeHaar, M J; Armentano, L E; Weiss, W P; McGill, T; Garnett, R; Hanigan, M D

2017-05-01

Evaluation of ration balancing systems such as the National Research Council (NRC) Nutrient Requirements series is important for improving predictions of animal nutrient requirements and advancing feeding strategies. This work used a literature data set (n = 550) to evaluate predictions of total-tract digested neutral detergent fiber (NDF), fatty acid (FA), crude protein (CP), and nonfiber carbohydrate (NFC) estimated by the NRC (2001) dairy model. Mean biases suggested that the NRC (2001) lactating cow model overestimated true FA and CP digestibility by 26 and 7%, respectively, and under-predicted NDF digestibility by 16%. All NRC (2001) estimates had notable mean and slope biases and large root mean squared prediction error (RMSPE), and concordance (CCC) ranged from poor to good. Predicting NDF digestibility with independent equations for legumes, corn silage, other forages, and nonforage feeds improved CCC (0.85 vs. 0.76) compared with the re-derived NRC (2001) equation form (NRC equation with parameter estimates re-derived against this data set). Separate FA digestion coefficients were derived for different fat supplements (animal fats, oils, and other fat types) and for the basal diet. This equation returned improved (from 0.76 to 0.94) CCC compared with the re-derived NRC (2001) equation form. Unique CP digestibility equations were derived for forages, animal protein feeds, plant protein feeds, and other feeds, which improved CCC compared with the re-derived NRC (2001) equation form (0.74 to 0.85). New NFC digestibility coefficients were derived for grain-specific starch digestibilities, with residual organic matter assumed to be 98% digestible. A Monte Carlo cross-validation was performed to evaluate repeatability of model fit. In this procedure, data were randomly subsetted 500 times into derivation (60%) and evaluation (40%) data sets, and equations were derived using the derivation data and then evaluated against the independent evaluation data. Models derived with random study effects demonstrated poor repeatability of fit in independent evaluation. Similar equations derived without random study effects showed improved fit against independent data and little evidence of biased parameter estimates associated with failure to include study effects. The equations derived in this analysis provide interesting insight into how NDF, starch, FA, and CP digestibilities are affected by intake, feed type, and diet composition. The Authors. Published by the Federation of Animal Science Societies and Elsevier Inc. on behalf of the American Dairy Science Association®. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/3.0/).

Solid State Kinetic Parameters and Chemical Mechanism of the Dehydration of CoCl2.6H2O.

ERIC Educational Resources Information Center

Ribas, Joan; And Others

1988-01-01

Presents an experimental example illustrating the most common methods for the determination of kinetic parameters. Discusses the different theories and equations to be applied and the mechanism derived from the kinetic results. (CW)

Controlled ferrite content improves weldability of corrosion-resistant steel

NASA Technical Reports Server (NTRS)

Malin, C. O.

1967-01-01

Corrosion-resistant steel that adds restrictions on chemical composition to ensure sufficient ferrite content decreases the tendency of CRES to develop cracks during welding. The equations restricting composition are based on the Schaeffler constitution diagram.

Field Balancing of Magnetically Levitated Rotors without Trial Weights

PubMed Central

Fang, Jiancheng; Wang, Yingguang; Han, Bangcheng; Zheng, Shiqiang

2013-01-01

Unbalance in magnetically levitated rotor (MLR) can cause undesirable synchronous vibrations and lead to the saturation of the magnetic actuator. Dynamic balancing is an important way to solve these problems. However, the traditional balancing methods, using rotor displacement to estimate a rotor's unbalance, requiring several trial-runs, are neither precise nor efficient. This paper presents a new balancing method for an MLR without trial weights. In this method, the rotor is forced to rotate around its geometric axis. The coil currents of magnetic bearing, rather than rotor displacement, are employed to calculate the correction masses. This method provides two benefits when the MLR's rotation axis coincides with the geometric axis: one is that unbalanced centrifugal force/torque equals the synchronous magnetic force/torque, and the other is that the magnetic force is proportional to the control current. These make calculation of the correction masses by measuring coil current with only a single start-up precise. An unbalance compensation control (UCC) method, using a general band-pass filter (GPF) to make the MLR spin around its geometric axis is also discussed. Experimental results show that the novel balancing method can remove more than 92.7% of the rotor unbalance and a balancing accuracy of 0.024 g mm kg−1 is achieved.

Scan Directed Load Balancing for Highly-Parallel Mesh-Connected Computers

DTIC Science & Technology

1991-07-01

DTIC ~ ELECTE OCT 2 41991 AD-A242 045 Scan Directed Load Balancing for Highly-Parallel Mesh-Connected Computers’ Edoardo S. Biagioni Jan F. Prins...Department of Computer Science University of North Carolina Chapel Hill, N.C. 27599-3175 USA biagioni @cs.unc.edu prinsOcs.unc.edu Abstract Scan Directed...MasPar Computer Corpora- tion. Bibliography [1] Edoardo S. Biagioni . Scan Directed Load Balancing. PhD thesis., University of North Carolina, Chapel Hill

A variational approach to parameter estimation in ordinary differential equations.

PubMed

Kaschek, Daniel; Timmer, Jens

2012-08-14

Ordinary differential equations are widely-used in the field of systems biology and chemical engineering to model chemical reaction networks. Numerous techniques have been developed to estimate parameters like rate constants, initial conditions or steady state concentrations from time-resolved data. In contrast to this countable set of parameters, the estimation of entire courses of network components corresponds to an innumerable set of parameters. The approach presented in this work is able to deal with course estimation for extrinsic system inputs or intrinsic reactants, both not being constrained by the reaction network itself. Our method is based on variational calculus which is carried out analytically to derive an augmented system of differential equations including the unconstrained components as ordinary state variables. Finally, conventional parameter estimation is applied to the augmented system resulting in a combined estimation of courses and parameters. The combined estimation approach takes the uncertainty in input courses correctly into account. This leads to precise parameter estimates and correct confidence intervals. In particular this implies that small motifs of large reaction networks can be analysed independently of the rest. By the use of variational methods, elements from control theory and statistics are combined allowing for future transfer of methods between the two fields.

Radiated chemical reaction impacts on natural convective MHD mass transfer flow induced by a vertical cone

NASA Astrophysics Data System (ADS)

Sambath, P.; Pullepu, Bapuji; Hussain, T.; Ali Shehzad, Sabir

2018-03-01

The consequence of thermal radiation in laminar natural convective hydromagnetic flow of viscous incompressible fluid past a vertical cone with mass transfer under the influence of chemical reaction with heat source/sink is presented here. The surface of the cone is focused to a variable wall temperature (VWT) and wall concentration (VWC). The fluid considered here is a gray absorbing and emitting, but non-scattering medium. The boundary layer dimensionless equations governing the flow are solved by an implicit finite-difference scheme of Crank-Nicolson which has speedy convergence and stable. This method converts the dimensionless equations into a system of tri-diagonal equations and which are then solved by using well known Thomas algorithm. Numerical solutions are obtained for momentum, temperature, concentration, local and average shear stress, heat and mass transfer rates for various values of parameters Pr, Sc, λ, Δ, Rd are established with graphical representations. We observed that the liquid velocity decreased for higher values of Prandtl and Schmidt numbers. The temperature is boost up for decreasing values of Schimdt and Prandtl numbers. The enhancement in radiative parameter gives more heat to liquid due to which temperature is enhanced significantly.

Load Balancing Strategies for Multiphase Flows on Structured Grids

NASA Astrophysics Data System (ADS)

Olshefski, Kristopher; Owkes, Mark

2017-11-01

The computation time required to perform large simulations of complex systems is currently one of the leading bottlenecks of computational research. Parallelization allows multiple processing cores to perform calculations simultaneously and reduces computational times. However, load imbalances between processors waste computing resources as processors wait for others to complete imbalanced tasks. In multiphase flows, these imbalances arise due to the additional computational effort required at the gas-liquid interface. However, many current load balancing schemes are only designed for unstructured grid applications. The purpose of this research is to develop a load balancing strategy while maintaining the simplicity of a structured grid. Several approaches are investigated including brute force oversubscription, node oversubscription through Message Passing Interface (MPI) commands, and shared memory load balancing using OpenMP. Each of these strategies are tested with a simple one-dimensional model prior to implementation into the three-dimensional NGA code. Current results show load balancing will reduce computational time by at least 30%.

Solving ordinary differential equations by electrical analogy: a multidisciplinary teaching tool

NASA Astrophysics Data System (ADS)

Sanchez Perez, J. F.; Conesa, M.; Alhama, I.

2016-11-01

Ordinary differential equations are the mathematical formulation for a great variety of problems in science and engineering, and frequently, two different problems are equivalent from a mathematical point of view when they are formulated by the same equations. Students acquire the knowledge of how to solve these equations (at least some types of them) using protocols and strict algorithms of mathematical calculation without thinking about the meaning of the equation. The aim of this work is that students learn to design network models or circuits in this way; with simple knowledge of them, students can establish the association of electric circuits and differential equations and their equivalences, from a formal point of view, that allows them to associate knowledge of two disciplines and promote the use of this interdisciplinary approach to address complex problems. Therefore, they learn to use a multidisciplinary tool that allows them to solve these kinds of equations, even students of first course of engineering, whatever the order, grade or type of non-linearity. This methodology has been implemented in numerous final degree projects in engineering and science, e.g., chemical engineering, building engineering, industrial engineering, mechanical engineering, architecture, etc. Applications are presented to illustrate the subject of this manuscript.

An Evaluation of the HVAC Load Potential for Providing Load Balancing Service

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lu, Ning

This paper investigates the potential of providing aggregated intra-hour load balancing services using heating, ventilating, and air-conditioning (HVAC) systems. A direct-load control algorithm is presented. A temperature-priority-list method is used to dispatch the HVAC loads optimally to maintain consumer-desired indoor temperatures and load diversity. Realistic intra-hour load balancing signals were used to evaluate the operational characteristics of the HVAC load under different outdoor temperature profiles and different indoor temperature settings. The number of HVAC units needed is also investigated. Modeling results suggest that the number of HVACs needed to provide a {+-}1-MW load balancing service 24 hours a day variesmore » significantly with baseline settings, high and low temperature settings, and the outdoor temperatures. The results demonstrate that the intra-hour load balancing service provided by HVAC loads meet the performance requirements and can become a major source of revenue for load-serving entities where the smart grid infrastructure enables direct load control over the HAVC loads.« less

Balancing Area Coordination: Efficiently Integrating Renewable Energy Into the Grid, Greening the Grid

DOE Office of Scientific and Technical Information (OSTI.GOV)

Katz, Jessica; Denholm, Paul; Cochran, Jaquelin

2015-06-01

Greening the Grid provides technical assistance to energy system planners, regulators, and grid operators to overcome challenges associated with integrating variable renewable energy into the grid. Coordinating balancing area operation can promote more cost and resource efficient integration of variable renewable energy, such as wind and solar, into power systems. This efficiency is achieved by sharing or coordinating balancing resources and operating reserves across larger geographic boundaries.

Instance Analysis for the Error of Three-pivot Pressure Transducer Static Balancing Method for Hydraulic Turbine Runner

NASA Astrophysics Data System (ADS)

Weng, Hanli; Li, Youping

2017-04-01

The working principle, process device and test procedure of runner static balancing test method by weighting with three-pivot pressure transducers are introduced in this paper. Based on an actual instance of a V hydraulic turbine runner, the error and sensitivity of the three-pivot pressure transducer static balancing method are analysed. Suggestions about improving the accuracy and the application of the method are also proposed.

Analysis of activation energy in Couette-Poiseuille flow of nanofluid in the presence of chemical reaction and convective boundary conditions

NASA Astrophysics Data System (ADS)

Zeeshan, A.; Shehzad, N.; Ellahi, R.

2018-03-01

The motivation of the current article is to explore the energy activation in MHD radiative Couette-Poiseuille flow nanofluid in horizontal channel with convective boundary conditions. The mathematical model of Buongiorno [1] effectively describes the current flow analysis. Additionally, the impact of chemical reaction is also taken in account. The governing flow equations are simplified with the help of boundary layer approximations. Non-linear coupled equations for momentum, energy and mass transfer are tackled with analytical (HAM) technique. The influence of dimensionless convergence parameter like Brownian motion parameter, radiation parameter, buoyancy ratio parameter, dimensionless activation energy, thermophoresis parameter, temperature difference parameter, dimensionless reaction rate, Schmidt number, Brinkman number, Biot number and convection diffusion parameter on velocity, temperature and concentration profiles are discussed graphically and in tabular form. From the results, it is elaborate that the nanoparticle concentration is directly proportional to the chemical reaction with activation energy and the performance of Brownian motion on nanoparticle concentration gives reverse pattern to that of thermophoresis parameter.

Prediction of the Fate of Organic Compounds in the Environment From Their Molecular Properties: A Review

PubMed Central

Mamy, Laure; Patureau, Dominique; Barriuso, Enrique; Bedos, Carole; Bessac, Fabienne; Louchart, Xavier; Martin-laurent, Fabrice; Miege, Cecile; Benoit, Pierre

2015-01-01

A comprehensive review of quantitative structure-activity relationships (QSAR) allowing the prediction of the fate of organic compounds in the environment from their molecular properties was done. The considered processes were water dissolution, dissociation, volatilization, retention on soils and sediments (mainly adsorption and desorption), degradation (biotic and abiotic), and absorption by plants. A total of 790 equations involving 686 structural molecular descriptors are reported to estimate 90 environmental parameters related to these processes. A significant number of equations was found for dissociation process (pKa), water dissolution or hydrophobic behavior (especially through the KOW parameter), adsorption to soils and biodegradation. A lack of QSAR was observed to estimate desorption or potential of transfer to water. Among the 686 molecular descriptors, five were found to be dominant in the 790 collected equations and the most generic ones: four quantum-chemical descriptors, the energy of the highest occupied molecular orbital (EHOMO) and the energy of the lowest unoccupied molecular orbital (ELUMO), polarizability (α) and dipole moment (μ), and one constitutional descriptor, the molecular weight. Keeping in mind that the combination of descriptors belonging to different categories (constitutional, topological, quantum-chemical) led to improve QSAR performances, these descriptors should be considered for the development of new QSAR, for further predictions of environmental parameters. This review also allows finding of the relevant QSAR equations to predict the fate of a wide diversity of compounds in the environment. PMID:25866458

Prediction of the Fate of Organic Compounds in the Environment From Their Molecular Properties: A Review.

PubMed

Mamy, Laure; Patureau, Dominique; Barriuso, Enrique; Bedos, Carole; Bessac, Fabienne; Louchart, Xavier; Martin-Laurent, Fabrice; Miege, Cecile; Benoit, Pierre

2015-06-18

A comprehensive review of quantitative structure-activity relationships (QSAR) allowing the prediction of the fate of organic compounds in the environment from their molecular properties was done. The considered processes were water dissolution, dissociation, volatilization, retention on soils and sediments (mainly adsorption and desorption), degradation (biotic and abiotic), and absorption by plants. A total of 790 equations involving 686 structural molecular descriptors are reported to estimate 90 environmental parameters related to these processes. A significant number of equations was found for dissociation process (pK a ), water dissolution or hydrophobic behavior (especially through the K OW parameter), adsorption to soils and biodegradation. A lack of QSAR was observed to estimate desorption or potential of transfer to water. Among the 686 molecular descriptors, five were found to be dominant in the 790 collected equations and the most generic ones: four quantum-chemical descriptors, the energy of the highest occupied molecular orbital (E HOMO ) and the energy of the lowest unoccupied molecular orbital (E LUMO ), polarizability (α) and dipole moment (μ), and one constitutional descriptor, the molecular weight. Keeping in mind that the combination of descriptors belonging to different categories (constitutional, topological, quantum-chemical) led to improve QSAR performances, these descriptors should be considered for the development of new QSAR, for further predictions of environmental parameters. This review also allows finding of the relevant QSAR equations to predict the fate of a wide diversity of compounds in the environment.

Double-well dynamics of noise-driven control activation in human intermittent control: the case of stick balancing.

PubMed

Zgonnikov, Arkady; Lubashevsky, Ihor

2015-11-01

When facing a task of balancing a dynamic system near an unstable equilibrium, humans often adopt intermittent control strategy: Instead of continuously controlling the system, they repeatedly switch the control on and off. Paradigmatic example of such a task is stick balancing. Despite the simplicity of the task itself, the complexity of human intermittent control dynamics in stick balancing still puzzles researchers in motor control. Here we attempt to model one of the key mechanisms of human intermittent control, control activation, using as an example the task of overdamped stick balancing. In doing so, we focus on the concept of noise-driven activation, a more general alternative to the conventional threshold-driven activation. We describe control activation as a random walk in an energy potential, which changes in response to the state of the controlled system. By way of numerical simulations, we show that the developed model captures the core properties of human control activation observed previously in the experiments on overdamped stick balancing. Our results demonstrate that the double-well potential model provides tractable mathematical description of human control activation at least in the considered task and suggest that the adopted approach can potentially aid in understanding human intermittent control in more complex processes.

Inference on the Strength of Balancing Selection for Epistatically Interacting Loci

PubMed Central

Buzbas, Erkan Ozge; Joyce, Paul; Rosenberg, Noah A.

2011-01-01

Existing inference methods for estimating the strength of balancing selection in multi-locus genotypes rely on the assumption that there are no epistatic interactions between loci. Complex systems in which balancing selection is prevalent, such as sets of human immune system genes, are known to contain components that interact epistatically. Therefore, current methods may not produce reliable inference on the strength of selection at these loci. In this paper, we address this problem by presenting statistical methods that can account for epistatic interactions in making inference about balancing selection. A theoretical result due to Fearnhead (2006) is used to build a multi-locus Wright-Fisher model of balancing selection, allowing for epistatic interactions among loci. Antagonistic and synergistic types of interactions are examined. The joint posterior distribution of the selection and mutation parameters is sampled by Markov chain Monte Carlo methods, and the plausibility of models is assessed via Bayes factors. As a component of the inference process, an algorithm to generate multi-locus allele frequencies under balancing selection models with epistasis is also presented. Recent evidence on interactions among a set of human immune system genes is introduced as a motivating biological system for the epistatic model, and data on these genes are used to demonstrate the methods. PMID:21277883

Modeling chemical vapor deposition of silicon dioxide in microreactors at atmospheric pressure

NASA Astrophysics Data System (ADS)

Konakov, S. A.; Krzhizhanovskaya, V. V.

2015-01-01

We developed a multiphysics mathematical model for simulation of silicon dioxide Chemical Vapor Deposition (CVD) from tetraethyl orthosilicate (TEOS) and oxygen mixture in a microreactor at atmospheric pressure. Microfluidics is a promising technology with numerous applications in chemical synthesis due to its high heat and mass transfer efficiency and well-controlled flow parameters. Experimental studies of CVD microreactor technology are slow and expensive. Analytical solution of the governing equations is impossible due to the complexity of intertwined non-linear physical and chemical processes. Computer simulation is the most effective tool for design and optimization of microreactors. Our computational fluid dynamics model employs mass, momentum and energy balance equations for a laminar transient flow of a chemically reacting gas mixture at low Reynolds number. Simulation results show the influence of microreactor configuration and process parameters on SiO2 deposition rate and uniformity. We simulated three microreactors with the central channel diameter of 5, 10, 20 micrometers, varying gas flow rate in the range of 5-100 microliters per hour and temperature in the range of 300-800 °C. For each microchannel diameter we found an optimal set of process parameters providing the best quality of deposited material. The model will be used for optimization of the microreactor configuration and technological parameters to facilitate the experimental stage of this research.

Unsteady MHD Mixed Convection Slip Flow of Casson Fluid over Nonlinearly Stretching Sheet Embedded in a Porous Medium with Chemical Reaction, Thermal Radiation, Heat Generation/Absorption and Convective Boundary Conditions

PubMed Central

Ullah, Imran; Bhattacharyya, Krishnendu; Shafie, Sharidan; Khan, Ilyas

2016-01-01

Numerical results are presented for the effect of first order chemical reaction and thermal radiation on mixed convection flow of Casson fluid in the presence of magnetic field. The flow is generated due to unsteady nonlinearly stretching sheet placed inside a porous medium. Convective conditions on wall temperature and wall concentration are also employed in the investigation. The governing partial differential equations are converted to ordinary differential equations using suitable transformations and then solved numerically via Keller-box method. It is noticed that fluid velocity rises with increase in radiation parameter in the case of assisting flow and is opposite in the case of opposing fluid while radiation parameter has no effect on fluid velocity in the forced convection. It is also seen that fluid velocity and concentration enhances in the case of generative chemical reaction whereas both profiles reduces in the case of destructive chemical reaction. Further, increase in local unsteadiness parameter reduces fluid velocity, temperature and concentration. Over all the effects of physical parameters on fluid velocity, temperature and concentration distribution as well as on the wall shear stress, heat and mass transfer rates are discussed in detail. PMID:27776174

Machine learning of atmospheric chemistry. Applications to a global chemistry transport model.

NASA Astrophysics Data System (ADS)

Evans, M. J.; Keller, C. A.

2017-12-01

Atmospheric chemistry is central to many environmental issues such as air pollution, climate change, and stratospheric ozone loss. Chemistry Transport Models (CTM) are a central tool for understanding these issues, whether for research or for forecasting. These models split the atmosphere in a large number of grid-boxes and consider the emission of compounds into these boxes and their subsequent transport, deposition, and chemical processing. The chemistry is represented through a series of simultaneous ordinary differential equations, one for each compound. Given the difference in life-times between the chemical compounds (mili-seconds for O(1D) to years for CH4) these equations are numerically stiff and solving them consists of a significant fraction of the computational burden of a CTM.We have investigated a machine learning approach to solving the differential equations instead of solving them numerically. From an annual simulation of the GEOS-Chem model we have produced a training dataset consisting of the concentration of compounds before and after the differential equations are solved, together with some key physical parameters for every grid-box and time-step. From this dataset we have trained a machine learning algorithm (random regression forest) to be able to predict the concentration of the compounds after the integration step based on the concentrations and physical state at the beginning of the time step. We have then included this algorithm back into the GEOS-Chem model, bypassing the need to integrate the chemistry.This machine learning approach shows many of the characteristics of the full simulation and has the potential to be substantially faster. There are a wide range of application for such an approach - generating boundary conditions, for use in air quality forecasts, chemical data assimilation systems, centennial scale climate simulations etc. We discuss our approches' speed and accuracy, and highlight some potential future directions for improving this approach.

Titan's Interior Chemical Composition: Possible Important Phase Transitions

NASA Astrophysics Data System (ADS)

Howard, Michael; Fried, L. E.; Khare, B. N.; McKay, C. P.

2008-09-01

We study the interior composition of Titan using thermal chemical equilibrium calculations that are valid to high pressures and temperatures. The equations of state are based on exponential-6 fluid theory and have been validated against experimental data up to a few Mbars in pressure and approximately 20000K in temperature. In addition to CHNO molecules, we account for multi-phases of carbon, water and a variety of metals such as Al and Fe, and their oxides. With these fluid equations of state, chemical equilibrium is calculated for a set of product species. As the temperature and pressure evolves for increasing depth in the interior, the chemical equilibrium shifts. We assume that Titan is initially composed of comet material, which we assume to be solar, except for hydrogen, which we take to be depleted by a factor 1/1000. We find that a significant amount of nitrogen is in the form of N2, rather than NH3. Moreover, above 12 kbars pressure, as is the interior pressure of Titan, a significant amount of the carbon is in the form of graphite, rather than CO2 and CH4. We discuss the implications of these results for understanding the atmospheric and surface composition of Titan. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Quantitative Peptidomics with Five-plex Reductive Methylation labels

NASA Astrophysics Data System (ADS)

Tashima, Alexandre K.; Fricker, Lloyd D.

2017-12-01

Quantitative peptidomics and proteomics often use chemical tags to covalently modify peptides with reagents that differ in the number of stable isotopes, allowing for quantitation of the relative peptide levels in the original sample based on the peak height of each isotopic form. Different chemical reagents have been used as tags for quantitative peptidomics and proteomics, and all have strengths and weaknesses. One of the simplest approaches uses formaldehyde and sodium cyanoborohydride to methylate amines, converting primary and secondary amines into tertiary amines. Up to five different isotopic forms can be generated, depending on the isotopic forms of formaldehyde and cyanoborohydride reagents, allowing for five-plex quantitation. However, the mass difference between each of these forms is only 1 Da per methyl group incorporated into the peptide, and for many peptides there is substantial overlap from the natural abundance of 13C and other isotopes. In this study, we calculated the contribution from the natural isotopes for 26 native peptides and derived equations to correct the peak intensities. These equations were applied to data from a study using human embryonic kidney HEK293T cells in which five replicates were treated with 100 nM vinblastine for 3 h and compared with five replicates of cells treated with control medium. The correction equations brought the replicates to the expected 1:1 ratios and revealed significant decreases in levels of 21 peptides upon vinblastine treatment. These equations enable accurate quantitation of small changes in peptide levels using the reductive methylation labeling approach. [Figure not available: see fulltext.

Balancing multiple roles among a group of urban midlife American Indian working women.

PubMed

Napholz, L

2000-06-01

Presented are the results of a secondary analysis of group data from a study of a six-week role conflict reduction intervention among a group of urban American Indian women (n = 8). The specific aim of this researcher was to understand the process of balancing multiple roles as expressed in the participants' daily lived experiences as mothers, wives, and workers. A construction of the process of balancing multiple roles was accomplished through the use of narratives. Balancing multiple roles represented a major current attempt on the part of the participants to integrate and balance traditional and contemporary feminine strengths in a positive, culturally consistent manner. The study themes included: traditional sex role expectation conflicts, family guilt, guilt management, transitioning inner conflict and stress, breaking the silence-learning to say no, and healing the spirit to reclaim the self. Further support for retraditionalization of roles for this group of Indian women was maintained as an effective means of balancing roles and achieving Indian self-determination.

Dynamic adaptive chemistry with operator splitting schemes for reactive flow simulations

NASA Astrophysics Data System (ADS)

Ren, Zhuyin; Xu, Chao; Lu, Tianfeng; Singer, Michael A.

2014-04-01

A numerical technique that uses dynamic adaptive chemistry (DAC) with operator splitting schemes to solve the equations governing reactive flows is developed and demonstrated. Strang-based splitting schemes are used to separate the governing equations into transport fractional substeps and chemical reaction fractional substeps. The DAC method expedites the numerical integration of reaction fractional substeps by using locally valid skeletal mechanisms that are obtained using the directed relation graph (DRG) reduction method to eliminate unimportant species and reactions from the full mechanism. Second-order temporal accuracy of the Strang-based splitting schemes with DAC is demonstrated on one-dimensional, unsteady, freely-propagating, premixed methane/air laminar flames with detailed chemical kinetics and realistic transport. The use of DAC dramatically reduces the CPU time required to perform the simulation, and there is minimal impact on solution accuracy. It is shown that with DAC the starting species and resulting skeletal mechanisms strongly depend on the local composition in the flames. In addition, the number of retained species may be significant only near the flame front region where chemical reactions are significant. For the one-dimensional methane/air flame considered, speed-up factors of three and five are achieved over the entire simulation for GRI-Mech 3.0 and USC-Mech II, respectively. Greater speed-up factors are expected for larger chemical kinetics mechanisms.

Quantitative Peptidomics with Five-plex Reductive Methylation labels

NASA Astrophysics Data System (ADS)

Tashima, Alexandre K.; Fricker, Lloyd D.

2018-05-01

Quantitative peptidomics and proteomics often use chemical tags to covalently modify peptides with reagents that differ in the number of stable isotopes, allowing for quantitation of the relative peptide levels in the original sample based on the peak height of each isotopic form. Different chemical reagents have been used as tags for quantitative peptidomics and proteomics, and all have strengths and weaknesses. One of the simplest approaches uses formaldehyde and sodium cyanoborohydride to methylate amines, converting primary and secondary amines into tertiary amines. Up to five different isotopic forms can be generated, depending on the isotopic forms of formaldehyde and cyanoborohydride reagents, allowing for five-plex quantitation. However, the mass difference between each of these forms is only 1 Da per methyl group incorporated into the peptide, and for many peptides there is substantial overlap from the natural abundance of 13C and other isotopes. In this study, we calculated the contribution from the natural isotopes for 26 native peptides and derived equations to correct the peak intensities. These equations were applied to data from a study using human embryonic kidney HEK293T cells in which five replicates were treated with 100 nM vinblastine for 3 h and compared with five replicates of cells treated with control medium. The correction equations brought the replicates to the expected 1:1 ratios and revealed significant decreases in levels of 21 peptides upon vinblastine treatment. These equations enable accurate quantitation of small changes in peptide levels using the reductive methylation labeling approach. [Figure not available: see fulltext.

Estimating the Gibbs energy of hydration from molecular dynamics trajectories obtained by integral equations of the theory of liquids in the RISM approximation

NASA Astrophysics Data System (ADS)

Tikhonov, D. A.; Sobolev, E. V.

2011-04-01

A method of integral equations of the theory of liquids in the reference interaction site model (RISM) approximation is used to estimate the Gibbs energy averaged over equilibrium trajectories computed by molecular mechanics. Peptide oxytocin is selected as the object of interest. The Gibbs energy is calculated using all chemical potential formulas introduced in the RISM approach for the excess chemical potential of solvation and is compared with estimates by the generalized Born model. Some formulas are shown to give the wrong sign of Gibbs energy changes when peptide passes from the gas phase into water environment; the other formulas give overestimated Gibbs energy changes with the right sign. Note that allowance for the repulsive correction in the approximate analytical expressions for the Gibbs energy derived by thermodynamic perturbation theory is not a remedy.

A two-dimensional numerical simulation of a supersonic, chemically reacting mixing layer

NASA Technical Reports Server (NTRS)

Drummond, J. Philip

1988-01-01

Research has been undertaken to achieve an improved understanding of physical phenomena present when a supersonic flow undergoes chemical reaction. A detailed understanding of supersonic reacting flows is necessary to successfully develop advanced propulsion systems now planned for use late in this century and beyond. In order to explore such flows, a study was begun to create appropriate physical models for describing supersonic combustion, and to develop accurate and efficient numerical techniques for solving the governing equations that result from these models. From this work, two computer programs were written to study reacting flows. Both programs were constructed to consider the multicomponent diffusion and convection of important chemical species, the finite rate reaction of these species, and the resulting interaction of the fluid mechanics and the chemistry. The first program employed a finite difference scheme for integrating the governing equations, whereas the second used a hybrid Chebyshev pseudospectral technique for improved accuracy.

Numerical simulation of an oxygen-fed wire-to-cylinder negative corona discharge in the glow regime

NASA Astrophysics Data System (ADS)

Yanallah, K.; Pontiga, F.; Castellanos, A.

2011-02-01

Negative glow corona discharge in flowing oxygen has been numerically simulated for a wire-to-cylinder electrode geometry. The corona discharge is modelled using a fluid approximation. The radial and axial distributions of charged and neutral species are obtained by solving the corresponding continuity equations, which include the relevant plasma-chemical kinetics. Continuity equations are coupled with Poisson's equation and the energy conservation equation, since the reaction rate constants may depend on the electric field and temperature. The experimental values of the current-voltage characteristic are used as input data into the numerical calculations. The role played by different reactions and chemical species is analysed, and the effect of electrical and geometrical parameters on ozone generation is investigated. The reliability of the numerical model is verified by the reasonable agreement between the numerical predictions of ozone concentration and the experimental measurements.

Chlorite, Biotite, Illite, Muscovite and Feldspar Dissolution Kinetics at Variable pH and Temperatures up to 280 deg C

DOE Data Explorer

Carroll, Susan; Smith, Megan M.; Lammers, Kristin

2017-02-24

Chemical reactions pose an important but poorly understood threat to EGS long-term success because of their impact on fracture permeability. This report summarizes the dissolution rate equations for layered silicates where data were lacking for geothermal systems. Here we report updated rate laws for chlorite (Carroll and Smith 2013), biotite (Carroll and Smith, 2015), illite (Carroll and Smith, 2014), and for muscovite. Also included is a spreadsheet with rate data and rate equations for use in reactive transport simulators.

Balancing Selection and Its Effects on Sequences in Nearby Genome Regions

PubMed Central

Charlesworth, Deborah

2006-01-01

Our understanding of balancing selection is currently becoming greatly clarified by new sequence data being gathered from genes in which polymorphisms are known to be maintained by selection. The data can be interpreted in conjunction with results from population genetics models that include recombination between selected sites and nearby neutral marker variants. This understanding is making possible tests for balancing selection using molecular evolutionary approaches. Such tests do not necessarily require knowledge of the functional types of the different alleles at a locus, but such information, as well as information about the geographic distribution of alleles and markers near the genes, can potentially help towards understanding what form of balancing selection is acting, and how long alleles have been maintained. PMID:16683038

Self-balancing feature of Lithium-Sulfur batteries

NASA Astrophysics Data System (ADS)

Knap, Vaclav; Stroe, Daniel-Ioan; Christensen, Andreas E.; Propp, Karsten; Fotouhi, Abbas; Auger, Daniel J.; Schaltz, Erik; Teodorescu, Remus

2017-12-01

The Li-S batteries are a prospective battery technology, which despite to its currently remaining drawbacks offers useable performance and interesting features. The polysulfide shuttle mechanism, a characteristic phenomenon for the Li-S batteries, causes a significant self-discharge at higher state-of-charge (SOC) levels, which leads to the energy dissipation of cells with higher charge. In an operation of series-connected Li-S cells, the shuttle mechanism results into a self-balancing effect which is studied here. A model for prediction of the self-balancing effect is proposed in this work and it is validated by experiments. Our results confirm the self-balancing feature of Li-S cells and illustrate their dependence on various conditions such as temperature, charging limits and idling time at high SOC.

Applying graph partitioning methods in measurement-based dynamic load balancing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bhatele, Abhinav; Fourestier, Sebastien; Menon, Harshitha

Load imbalance leads to an increasing waste of resources as an application is scaled to more and more processors. Achieving the best parallel efficiency for a program requires optimal load balancing which is a NP-hard problem. However, finding near-optimal solutions to this problem for complex computational science and engineering applications is becoming increasingly important. Charm++, a migratable objects based programming model, provides a measurement-based dynamic load balancing framework. This framework instruments and then migrates over-decomposed objects to balance computational load and communication at runtime. This paper explores the use of graph partitioning algorithms, traditionally used for partitioning physical domains/meshes, formore » measurement-based dynamic load balancing of parallel applications. In particular, we present repartitioning methods developed in a graph partitioning toolbox called SCOTCH that consider the previous mapping to minimize migration costs. We also discuss a new imbalance reduction algorithm for graphs with irregular load distributions. We compare several load balancing algorithms using microbenchmarks on Intrepid and Ranger and evaluate the effect of communication, number of cores and number of objects on the benefit achieved from load balancing. New algorithms developed in SCOTCH lead to better performance compared to the METIS partitioners for several cases, both in terms of the application execution time and fewer number of objects migrated.« less

Mean-field description and propagation of chaos in networks of Hodgkin-Huxley and FitzHugh-Nagumo neurons

PubMed Central

2012-01-01

We derive the mean-field equations arising as the limit of a network of interacting spiking neurons, as the number of neurons goes to infinity. The neurons belong to a fixed number of populations and are represented either by the Hodgkin-Huxley model or by one of its simplified version, the FitzHugh-Nagumo model. The synapses between neurons are either electrical or chemical. The network is assumed to be fully connected. The maximum conductances vary randomly. Under the condition that all neurons’ initial conditions are drawn independently from the same law that depends only on the population they belong to, we prove that a propagation of chaos phenomenon takes place, namely that in the mean-field limit, any finite number of neurons become independent and, within each population, have the same probability distribution. This probability distribution is a solution of a set of implicit equations, either nonlinear stochastic differential equations resembling the McKean-Vlasov equations or non-local partial differential equations resembling the McKean-Vlasov-Fokker-Planck equations. We prove the well-posedness of the McKean-Vlasov equations, i.e. the existence and uniqueness of a solution. We also show the results of some numerical experiments that indicate that the mean-field equations are a good representation of the mean activity of a finite size network, even for modest sizes. These experiments also indicate that the McKean-Vlasov-Fokker-Planck equations may be a good way to understand the mean-field dynamics through, e.g. a bifurcation analysis. Mathematics Subject Classification (2000): 60F99, 60B10, 92B20, 82C32, 82C80, 35Q80. PMID:22657695

Genetic architecture and balancing selection: the life and death of differentiated variants.

PubMed

Llaurens, Violaine; Whibley, Annabel; Joron, Mathieu

2017-05-01

Balancing selection describes any form of natural selection, which results in the persistence of multiple variants of a trait at intermediate frequencies within populations. By offering up a snapshot of multiple co-occurring functional variants and their interactions, systems under balancing selection can reveal the evolutionary mechanisms favouring the emergence and persistence of adaptive variation in natural populations. We here focus on the mechanisms by which several functional variants for a given trait can arise, a process typically requiring multiple epistatic mutations. We highlight how balancing selection can favour specific features in the genetic architecture and review the evolutionary and molecular mechanisms shaping this architecture. First, balancing selection affects the number of loci underlying differentiated traits and their respective effects. Control by one or few loci favours the persistence of differentiated functional variants by limiting intergenic recombination, or its impact, and may sometimes lead to the evolution of supergenes. Chromosomal rearrangements, particularly inversions, preventing adaptive combinations from being dissociated are increasingly being noted as features of such systems. Similarly, due to the frequency of heterozygotes maintained by balancing selection, dominance may be a key property of adaptive variants. High heterozygosity and limited recombination also influence associated genetic load, as linked recessive deleterious mutations may be sheltered. The capture of deleterious elements in a locus under balancing selection may reinforce polymorphism by further promoting heterozygotes. Finally, according to recent genomewide scans, balanced polymorphism might be more pervasive than generally thought. We stress the need for both functional and ecological studies to characterize the evolutionary mechanisms operating in these systems. © 2017 John Wiley & Sons Ltd.

Extension of Gibbs-Duhem equation including influences of external fields

NASA Astrophysics Data System (ADS)

Guangze, Han; Jianjia, Meng

2018-03-01

Gibbs-Duhem equation is one of the fundamental equations in thermodynamics, which describes the relation among changes in temperature, pressure and chemical potential. Thermodynamic system can be affected by external field, and this effect should be revealed by thermodynamic equations. Based on energy postulate and the first law of thermodynamics, the differential equation of internal energy is extended to include the properties of external fields. Then, with homogeneous function theorem and a redefinition of Gibbs energy, a generalized Gibbs-Duhem equation with influences of external fields is derived. As a demonstration of the application of this generalized equation, the influences of temperature and external electric field on surface tension, surface adsorption controlled by external electric field, and the derivation of a generalized chemical potential expression are discussed, which show that the extended Gibbs-Duhem equation developed in this paper is capable to capture the influences of external fields on a thermodynamic system.

A computational study of the flowfield surrounding the Aeroassist Flight Experiment vehicle

NASA Technical Reports Server (NTRS)

Gnoffo, Peter A.; Greene, Francis A.

1987-01-01

A symmetric total variation diminishing (STVD) algorithm has been applied to the solution of the three-dimensional hypersonic flowfield surrounding the Aeroassist Flight Experiment (AFE) vehicle. Both perfect-gas and chemical nonequilibrium models have been used. The perfect-gas flows were computed at two different Reynolds numbers, including a flight trajectory point at maximum dynamic pressure, and on two different grids. Procedures for coupling the solution of the species continuity equations with the Navier-Stokes equations in the presence of chemical nonequilibrium are reviewed and tested on the forebody of the AFE and on the complete flowfield assuming noncatalytic wall and no species diffusion. Problems with the STVD algorithm unique to flows with variable thermodynamic properties (real gas) are identified and algorithm modifications are suggested. A potential heating problem caused by strong flow impingement on the nozzle lip in the near wake at 0-deg angle of attack has been identified.

Collisionless stellar hydrodynamics as an efficient alternative to N-body methods

NASA Astrophysics Data System (ADS)

Mitchell, Nigel L.; Vorobyov, Eduard I.; Hensler, Gerhard

2013-01-01

The dominant constituents of the Universe's matter are believed to be collisionless in nature and thus their modelling in any self-consistent simulation is extremely important. For simulations that deal only with dark matter or stellar systems, the conventional N-body technique is fast, memory efficient and relatively simple to implement. However when extending simulations to include the effects of gas physics, mesh codes are at a distinct disadvantage compared to Smooth Particle Hydrodynamics (SPH) codes. Whereas implementing the N-body approach into SPH codes is fairly trivial, the particle-mesh technique used in mesh codes to couple collisionless stars and dark matter to the gas on the mesh has a series of significant scientific and technical limitations. These include spurious entropy generation resulting from discreteness effects, poor load balancing and increased communication overhead which spoil the excellent scaling in massively parallel grid codes. In this paper we propose the use of the collisionless Boltzmann moment equations as a means to model the collisionless material as a fluid on the mesh, implementing it into the massively parallel FLASH Adaptive Mesh Refinement (AMR) code. This approach which we term `collisionless stellar hydrodynamics' enables us to do away with the particle-mesh approach and since the parallelization scheme is identical to that used for the hydrodynamics, it preserves the excellent scaling of the FLASH code already demonstrated on peta-flop machines. We find that the classic hydrodynamic equations and the Boltzmann moment equations can be reconciled under specific conditions, allowing us to generate analytic solutions for collisionless systems using conventional test problems. We confirm the validity of our approach using a suite of demanding test problems, including the use of a modified Sod shock test. By deriving the relevant eigenvalues and eigenvectors of the Boltzmann moment equations, we are able to use high order accurate characteristic tracing methods with Riemann solvers to generate numerical solutions which show excellent agreement with our analytic solutions. We conclude by demonstrating the ability of our code to model complex phenomena by simulating the evolution of a two-armed spiral galaxy whose properties agree with those predicted by the swing amplification theory.

New Equation for Prediction of Martensite Start Temperature in High Carbon Ferrous Alloys

NASA Astrophysics Data System (ADS)

Park, Jihye; Shim, Jae-Hyeok; Lee, Seok-Jae

2018-02-01

Since previous equations fail to predict M S temperature of high carbon ferrous alloys, we first propose an equation for prediction of M S temperature of ferrous alloys containing > 2 wt pct C. The presence of carbides (Fe3C and Cr-rich M 7C3) is thermodynamically considered to estimate the C concentration in austenite. Especially, equations individually specialized for lean and high Cr alloys very accurately reproduce experimental results. The chemical driving force for martensitic transformation is quantitatively analyzed based on the calculation of T 0 temperature.

Dynamical patterns and regime shifts in the nonlinear model of soil microorganisms growth

NASA Astrophysics Data System (ADS)

Zaitseva, Maria; Vladimirov, Artem; Winter, Anna-Marie; Vasilyeva, Nadezda

2017-04-01

Dynamical model of soil microorganisms growth and turnover is formulated as a system of nonlinear partial differential equations of reaction-diffusion type. We consider spatial distributions of concentrations of several substrates and microorganisms. Biochemical reactions are modelled by chemical kinetic equations. Transport is modelled by simple linear diffusion for all chemical substances, while for microorganisms we use different transport functions, e.g. some of them can actively move along gradient of substrate concentration, while others cannot move. We solve our model in two dimensions, starting from uniform state with small initial perturbations for various parameters and find parameter range, where small initial perturbations grow and evolve. We search for bifurcation points and critical regime shifts in our model and analyze time-space profile and phase portraits of these solutions approaching critical regime shifts in the system, exploring possibility to detect such shifts in advance. This work is supported by NordForsk, project #81513.

Influence of magnetic field on chemically reactive blood flow through stenosed bifurcated arteries

NASA Astrophysics Data System (ADS)

Hossain, Khan Enaet; Haque, Md. Mohidul

2017-06-01

Dynamic response of mass transfer in chemically reactive blood flow through bifurcated arteries under the stenotic condition is numerically studied in the present of a uniform magnetic field. The blood flowing through the artery is assumed an incompressible, fully developed and Newtonian. The nonlinear unsteady flow phenomena are governed by the Navier-Stokes and concentration equations. All these equations together with the appropriate boundary conditions describing the present biomechanical problem are transformed by using a radial transformation and the numerical results are obtained using a finite difference technique. Effects of stenosed bifurcation and externally applied magnetic field on the blood flow with chemical reaction are discussed with the help of graph. All the flow characteristics are found to be affected by the presence of chemical reaction and exposure of magnetic field of different intensities. Finally some important findings of the problem are concluded in this work.

A coupled theory for chemically active and deformable solids with mass diffusion and heat conduction

NASA Astrophysics Data System (ADS)

Zhang, Xiaolong; Zhong, Zheng

2017-10-01

To analyse the frequently encountered thermo-chemo-mechanical problems in chemically active material applications, we develop a thermodynamically-consistent continuum theory of coupled deformation, mass diffusion, heat conduction and chemical reaction. Basic balance equations of force, mass and energy are presented at first, and then fully coupled constitutive laws interpreting multi-field interactions and evolving equations governing irreversible fluxes are constructed according to the energy dissipation inequality and the chemical kinetics. To consider the essential distinction between mass diffusion and chemical reactions in affecting free energy and dissipations of a highly coupled system, we regard both the concentrations of diffusive species and the extent of reaction as independent state variables. This new formulation then distinguishes between the energy contribution from the diffusive species entering the solid and that from the subsequent chemical reactions occurring among these species and the host solid, which not only interact with stresses or strains in different manners and on different time scales, but also induce different variations of solid microstructures and material properties. Taking advantage of this new description, we further establish a specialized isothermal model to predict precisely the transient chemo-mechanical response of a swelling solid with a proposed volumetric constraint that accounts for material incompressibility. Coupled kinetics is incorporated to capture the volumetric swelling of the solid caused by imbibition of external species and the simultaneous dilation arised from chemical reactions between the diffusing species and the solid. The model is then exemplified with two numerical examples of transient swelling accompanied by chemical reaction. Various ratios of characteristic times of diffusion and chemical reaction are taken into account to shed light on the dependency on kinetic time scales of evolution patterns for a diffusion-reaction controlled deformable solid.

Traffic off-balancing algorithm for energy efficient networks

NASA Astrophysics Data System (ADS)

Kim, Junhyuk; Lee, Chankyun; Rhee, June-Koo Kevin

2011-12-01

Physical layer of high-end network system uses multiple interface arrays. Under the load-balancing perspective, light load can be distributed to multiple interfaces. However, it can cause energy inefficiency in terms of the number of poor utilization interfaces. To tackle this energy inefficiency, traffic off-balancing algorithm for traffic adaptive interface sleep/awake is investigated. As a reference model, 40G/100G Ethernet is investigated. We report that suggested algorithm can achieve energy efficiency while satisfying traffic transmission requirement.

A simulation-based approach for solving assembly line balancing problem

NASA Astrophysics Data System (ADS)

Wu, Xiaoyu

2017-09-01

Assembly line balancing problem is directly related to the production efficiency, since the last century, the problem of assembly line balancing was discussed and still a lot of people are studying on this topic. In this paper, the problem of assembly line is studied by establishing the mathematical model and simulation. Firstly, the model of determing the smallest production beat under certain work station number is anysized. Based on this model, the exponential smoothing approach is applied to improve the the algorithm efficiency. After the above basic work, the gas stirling engine assembly line balancing problem is discussed as a case study. Both two algorithms are implemented using the Lingo programming environment and the simulation results demonstrate the validity of the new methods.

Torsion effect of swing frame on the measurement of horizontal two-plane balancing machine

NASA Astrophysics Data System (ADS)

Wang, Qiuxiao; Wang, Dequan; He, Bin; Jiang, Pan; Wu, Zhaofu; Fu, Xiaoyan

2017-03-01

In this paper, the vibration model of swing frame of two-plane balancing machine is established to calculate the vibration center position of swing frame first. The torsional stiffness formula of spring plate twisting around the vibration center is then deduced by using superposition principle. Finally, the dynamic balancing experiments prove the irrationality of A-B-C algorithm which ignores the torsion effect, and show that the torsional stiffness deduced by experiments is consistent with the torsional stiffness calculated by theory. The experimental datas show the influence of the torsion effect of swing frame on the separation ratio of sided balancing machines, which reveals the sources of measurement error and assesses the application scope of A-B-C algorithm.

Balancing: a basic process in end-of-life cancer care.

PubMed

Thulesius, Hans; Håkansson, Anders; Petersson, Kerstin

2003-12-01

In this grounded theory study, the authors interviewed caregivers and patients in end-of-life cancer care and found Balancing to be a fundamental process explaining the problem-solving strategies of most participants and offering a comprehensive perspective on both health care in general and end-of-life cancer care in particular. Balancing stages were Weighing--sensing needs and wishes signaled by patients, gauging them against caregiver resources in diagnosing and care planning; Shifting--breaking bad news, changing care places, and treatments; and Compensating--controlling symptoms, educating and team-working, prioritizing and "stretching" time, innovating care methods, improvising, and maintaining the homeostasis of hope. The Balancing outcome is characterized by Compromising, or "Walking a fine line," at best an optimized situation, at worst a deceit.

Balancing on the Pivot: How Chinas Rise and Offshore Balancing Affect Japans and Indias Roles as Balancers in the Twenty-First Century

DTIC Science & Technology

2016-03-01

and Space Studies Thomas D. McCarthy, Colonel, Commandant and Dean AIR UNIVERSITY SCHOOL OF ADVANCED AIR AND SPACE STUDIES Balancing on the Pivot How...Space Studies (SAASS), Maxwell AFB, Alabama. This series of papers commemorates the distinguished career of Col Dennis “Denny” Drew, USAF, retired. In...the understanding of air- and space-power theory and application. These studies are published by the Air University Press and broadly distributed

Evaluation of energy digestibility and prediction of digestible and metabolizable energy from chemical composition of different cottonseed meal sources fed to growing pigs.

PubMed

Li, J T; Li, D F; Zang, J J; Yang, W J; Zhang, W J; Zhang, L Y

2012-10-01

The present experiment was conducted to determine the digestible energy (DE), metabolizable energy (ME) content, and the apparent total tract digestibility (ATTD) of energy in growing pigs fed diets containing one of ten cottonseed meals (CSM) collected from different provinces of China and to develop in vitro prediction equations for DE and ME content from chemical composition of the CSM samples. Twelve growing barrows with an initial body weight of 35.2±1.7 kg were allotted to two 6×6 Latin square designs, with six barrows and six periods and six diets for each. A corn-dehulled soybean meal diet was used as the basal diet, and the other ten diets were formulated with corn, dehulled soybean meal and 19.20% CSM. The DE, ME and ATTD of gross energy among different CSM sources varied largely and ranged from 1,856 to 2,730 kcal/kg dry matter (DM), 1,778 to 2,534 kcal/kg DM, and 42.08 to 60.47%, respectively. Several chemical parameters were identified to predict the DE and ME values of CSM, and the accuracy of prediction models were also tested. The best fit equations were: DE, kcal/kg DM = 670.14+31.12 CP+659.15 EE with R(2) = 0.82, RSD = 172.02, p<0.05; and ME, kcal/kg DM = 843.98+25.03 CP+673.97 EE with R(2) = 0.84, RSD = 144.79, p<0.05. These results indicate that DE, ME values and ATTD of gross energy varied substantially among different CSM sources, and that some prediction equations can be applied to predict DE and ME in CSM with an acceptable accuracy.

Load Balancing Using Time Series Analysis for Soft Real Time Systems with Statistically Periodic Loads

NASA Technical Reports Server (NTRS)

Hailperin, M.

1993-01-01

This thesis provides design and analysis of techniques for global load balancing on ensemble architectures running soft-real-time object-oriented applications with statistically periodic loads. It focuses on estimating the instantaneous average load over all the processing elements. The major contribution is the use of explicit stochastic process models for both the loading and the averaging itself. These models are exploited via statistical time-series analysis and Bayesian inference to provide improved average load estimates, and thus to facilitate global load balancing. This thesis explains the distributed algorithms used and provides some optimality results. It also describes the algorithms' implementation and gives performance results from simulation. These results show that the authors' techniques allow more accurate estimation of the global system loading, resulting in fewer object migrations than local methods. The authors' method is shown to provide superior performance, relative not only to static load-balancing schemes but also to many adaptive load-balancing methods. Results from a preliminary analysis of another system and from simulation with a synthetic load provide some evidence of more general applicability.

Mathematic study of the rotor motion with a pendulum selfbalancing device

NASA Astrophysics Data System (ADS)

Ivkina, O. P.; Ziyakaev, G. R.; Pashkov, E. N.

2016-09-01

The rotary machines used in manufacturing may become unbalanced leading to vibration. In some cases, the problem may be solved by installing self-balancing devices (SBDs). Certain factors, however, exhibit a pronounced effect on the efficiency of these devices. The objective of the research comprised of establishing the most beneficial spatial position of pendulums to minimize the necessary time to repair the rotor unbalance. The mathematical research of the motion of a rotor with pendulum SBDs in the situation of their misalignment was undertaken. This objective was achieved by using the Lagrange equations of the second type. The analysis identified limiting cases of location of the rotor unbalance vector and the vector of housing's unbalance relative to each other, as well as the minimum capacity of the pendulum. When determining pendulums ’ parameters during the SBD design process, it is necessary to take into account the rotor unbalance and the unbalance of the machine body, which is caused by the misalignment of rotor axis and pendulum's axis of rotation.

What Physicist Mean By The Equals Sign In Undergraduate Education

NASA Astrophysics Data System (ADS)

Zohrabi Alaee, Dina; Kornick, Kellianne; Sayre, Eleanor C.; Franklin, Scott V.

2017-01-01

Mathematical concepts and tools have an important role in physics. Faculties want students to think critically about mathematics and the underlying fundamental concepts, rather than simply memorizing a series of equations and answers. The equals sign - ubiquitous in problem solving - carries different conceptual meaning depending on how it is used; this meaning is deeply tied to cultural practices in problem solving in physics. We use symbolic forms to investigate the conceptual and cultural meanings of the equals sign across physics contexts. We built and validated a rubric to classify the ways that physics students use the equals sign in their written work. Our categories are causality, assignments, definitional, balancing, and just math. We analyze students' use of the equals sign in their written homework and exam solutions in an upper-division electrostatics course. We correlate the kinds of equal signs within problem solutions with the difficulty of the problem. We compare they ways students use the equals sign to their course lectures and textbook.

Computer Program for Calculation of Complex Chemical Equilibrium Compositions, Rocket Performance, Incident and Reflected Shocks, and Chapman-Jouguet Detonations. Interim Revision, March 1976

NASA Technical Reports Server (NTRS)

Gordon, S.; Mcbride, B. J.

1976-01-01

A detailed description of the equations and computer program for computations involving chemical equilibria in complex systems is given. A free-energy minimization technique is used. The program permits calculations such as (1) chemical equilibrium for assigned thermodynamic states (T,P), (H,P), (S,P), (T,V), (U,V), or (S,V), (2) theoretical rocket performance for both equilibrium and frozen compositions during expansion, (3) incident and reflected shock properties, and (4) Chapman-Jouguet detonation properties. The program considers condensed species as well as gaseous species.

Entropy and convexity for nonlinear partial differential equations

PubMed Central

Ball, John M.; Chen, Gui-Qiang G.

2013-01-01

Partial differential equations are ubiquitous in almost all applications of mathematics, where they provide a natural mathematical description of many phenomena involving change in physical, chemical, biological and social processes. The concept of entropy originated in thermodynamics and statistical physics during the nineteenth century to describe the heat exchanges that occur in the thermal processes in a thermodynamic system, while the original notion of convexity is for sets and functions in mathematics. Since then, entropy and convexity have become two of the most important concepts in mathematics. In particular, nonlinear methods via entropy and convexity have been playing an increasingly important role in the analysis of nonlinear partial differential equations in recent decades. This opening article of the Theme Issue is intended to provide an introduction to entropy, convexity and related nonlinear methods for the analysis of nonlinear partial differential equations. We also provide a brief discussion about the content and contributions of the papers that make up this Theme Issue. PMID:24249768

Impact of Load Balancing on Unstructured Adaptive Grid Computations for Distributed-Memory Multiprocessors

NASA Technical Reports Server (NTRS)

Sohn, Andrew; Biswas, Rupak; Simon, Horst D.

1996-01-01

The computational requirements for an adaptive solution of unsteady problems change as the simulation progresses. This causes workload imbalance among processors on a parallel machine which, in turn, requires significant data movement at runtime. We present a new dynamic load-balancing framework, called JOVE, that balances the workload across all processors with a global view. Whenever the computational mesh is adapted, JOVE is activated to eliminate the load imbalance. JOVE has been implemented on an IBM SP2 distributed-memory machine in MPI for portability. Experimental results for two model meshes demonstrate that mesh adaption with load balancing gives more than a sixfold improvement over one without load balancing. We also show that JOVE gives a 24-fold speedup on 64 processors compared to sequential execution.

Further analytical study of hybrid rocket combustion

NASA Technical Reports Server (NTRS)

Hung, W. S. Y.; Chen, C. S.; Haviland, J. K.

1972-01-01

Analytical studies of the transient and steady-state combustion processes in a hybrid rocket system are discussed. The particular system chosen consists of a gaseous oxidizer flowing within a tube of solid fuel, resulting in a heterogeneous combustion. Finite rate chemical kinetics with appropriate reaction mechanisms were incorporated in the model. A temperature dependent Arrhenius type fuel surface regression rate equation was chosen for the current study. The governing mathematical equations employed for the reacting gas phase and for the solid phase are the general, two-dimensional, time-dependent conservation equations in a cylindrical coordinate system. Keeping the simplifying assumptions to a minimum, these basic equations were programmed for numerical computation, using two implicit finite-difference schemes, the Lax-Wendroff scheme for the gas phase, and, the Crank-Nicolson scheme for the solid phase.

Expert Systems on Multiprocessor Architectures. Volume 3. Technical Reports

DTIC Science & Technology

1991-06-01

choice of load balancing vs. load sharing 1141. While load balancing strives to keep all sites equally loaded, load sharing merely tries to prevent ...unnecessary idleness. Loo. balancing is appropriate to object- oriented real- time systems because * real-time systems ne ,l to prevent long waits for...oetavir ConClass siy51cr Iz a n ubjeU rephitation ’-enare ir order wo prevent a partic=Lar abiec:;ram heing (ntrlu ~lel Ar iic]en:f etautaan ire chanw

Multi-Plane High Speed Balancing Techniques and the Use of a High Specific Stiffness Ti-Borsic Material for Vibration Control.

DTIC Science & Technology

1980-02-01

maneuver conditions, and transmit the net axial thrust force between the turbine and fan sections due to pressure and aero dynamic gas loads . 49 Lm...stiffness composite material shaft. Both~~ balancing demonstration and the composite shaft design ad as their objective the management of small turbofan ...CONFIGURATIONS 99 LIST OF ILLUSTRATIONS Figure Title Page 1 High Speed Balancing Program Schedule 4 2 Teledyne CAE Model 471-11DX Turbofan Engine

Multi-agent grid system Agent-GRID with dynamic load balancing of cluster nodes

NASA Astrophysics Data System (ADS)

Satymbekov, M. N.; Pak, I. T.; Naizabayeva, L.; Nurzhanov, Ch. A.

2017-12-01

In this study the work presents the system designed for automated load balancing of the contributor by analysing the load of compute nodes and the subsequent migration of virtual machines from loaded nodes to less loaded ones. This system increases the performance of cluster nodes and helps in the timely processing of data. A grid system balances the work of cluster nodes the relevance of the system is the award of multi-agent balancing for the solution of such problems.

Multimedia and Understanding: Expert and Novice Responses To Different Representations of Chemical Phenomena.

ERIC Educational Resources Information Center

Kozma, Robert B.; Russell, Joel

1997-01-01

Examines how professional chemists and undergraduate chemistry students respond to chemistry-related video segments, graphs, animations, and equations. Discusses the role that surface features of representations play in the understanding of chemistry. Contains 36 references. (DDR)

Modelling chemo-hydro-mechanical behaviour of unsaturated clays: a feasibility study

NASA Astrophysics Data System (ADS)

Liu, Z.; Boukpeti, N.; Li, X.; Collin, F.; Radu, J.-P.; Hueckel, T.; Charlier, R.

2005-08-01

Effective capabilities of combined chemo-elasto-plastic and unsaturated soil models to simulate chemo-hydro-mechanical (CHM) behaviour of clays are examined in numerical simulations through selected boundary value problems. The objective is to investigate the feasibility of approaching such complex material behaviour numerically by combining two existing models. The chemo-mechanical effects are described using the concept of chemical softening consisting of reduction of the pre-consolidation pressure proposed originally by Hueckel (Can. Geotech. J. 1992; 29:1071-1086; Int. J. Numer. Anal. Methods Geomech. 1997; 21:43-72). An additional chemical softening mechanism is considered, consisting in a decrease of cohesion with an increase in contaminant concentration. The influence of partial saturation on the constitutive behaviour is modelled following Barcelona basic model (BBM) formulation (Géotech. 1990; 40(3):405-430; Can. Geotech. J. 1992; 29:1013-1032).The equilibrium equations combined with the CHM constitutive relations, and the governing equations for flow of fluids and contaminant transport, are solved numerically using finite element. The emphasis is laid on understanding the role that the individual chemical effects such as chemo-elastic swelling, or chemo-plastic consolidation, or finally, chemical loss of cohesion have in the overall response of the soil mass. The numerical problems analysed concern the chemical effects in response to wetting of a clay specimen with an organic liquid in rigid wall consolidometer, during biaxial loading up to failure, and in response to fresh water influx during tunnel excavation in swelling clay.

Algorithm For Hypersonic Flow In Chemical Equilibrium

NASA Technical Reports Server (NTRS)

Palmer, Grant

1989-01-01

Implicit, finite-difference, shock-capturing algorithm calculates inviscid, hypersonic flows in chemical equilibrium. Implicit formulation chosen because overcomes limitation on mathematical stability encountered in explicit formulations. For dynamical portion of problem, Euler equations written in conservation-law form in Cartesian coordinate system for two-dimensional or axisymmetric flow. For chemical portion of problem, equilibrium state of gas at each point in computational grid determined by minimizing local Gibbs free energy, subject to local conservation of molecules, atoms, ions, and total enthalpy. Major advantage: resulting algorithm naturally stable and captures strong shocks without help of artificial-dissipation terms to damp out spurious numerical oscillations.

Novel models and algorithms of load balancing for variable-structured collaborative simulation under HLA/RTI

NASA Astrophysics Data System (ADS)

Yue, Yingchao; Fan, Wenhui; Xiao, Tianyuan; Ma, Cheng

2013-07-01

High level architecture(HLA) is the open standard in the collaborative simulation field. Scholars have been paying close attention to theoretical research on and engineering applications of collaborative simulation based on HLA/RTI, which extends HLA in various aspects like functionality and efficiency. However, related study on the load balancing problem of HLA collaborative simulation is insufficient. Without load balancing, collaborative simulation under HLA/RTI may encounter performance reduction or even fatal errors. In this paper, load balancing is further divided into static problems and dynamic problems. A multi-objective model is established and the randomness of model parameters is taken into consideration for static load balancing, which makes the model more credible. The Monte Carlo based optimization algorithm(MCOA) is excogitated to gain static load balance. For dynamic load balancing, a new type of dynamic load balancing problem is put forward with regards to the variable-structured collaborative simulation under HLA/RTI. In order to minimize the influence against the running collaborative simulation, the ordinal optimization based algorithm(OOA) is devised to shorten the optimization time. Furthermore, the two algorithms are adopted in simulation experiments of different scenarios, which demonstrate their effectiveness and efficiency. An engineering experiment about collaborative simulation under HLA/RTI of high speed electricity multiple units(EMU) is also conducted to indentify credibility of the proposed models and supportive utility of MCOA and OOA to practical engineering systems. The proposed research ensures compatibility of traditional HLA, enhances the ability for assigning simulation loads onto computing units both statically and dynamically, improves the performance of collaborative simulation system and makes full use of the hardware resources.

Evolvable mathematical models: A new artificial Intelligence paradigm

NASA Astrophysics Data System (ADS)

Grouchy, Paul

We develop a novel Artificial Intelligence paradigm to generate autonomously artificial agents as mathematical models of behaviour. Agent/environment inputs are mapped to agent outputs via equation trees which are evolved in a manner similar to Symbolic Regression in Genetic Programming. Equations are comprised of only the four basic mathematical operators, addition, subtraction, multiplication and division, as well as input and output variables and constants. From these operations, equations can be constructed that approximate any analytic function. These Evolvable Mathematical Models (EMMs) are tested and compared to their Artificial Neural Network (ANN) counterparts on two benchmarking tasks: the double-pole balancing without velocity information benchmark and the challenging discrete Double-T Maze experiments with homing. The results from these experiments show that EMMs are capable of solving tasks typically solved by ANNs, and that they have the ability to produce agents that demonstrate learning behaviours. To further explore the capabilities of EMMs, as well as to investigate the evolutionary origins of communication, we develop NoiseWorld, an Artificial Life simulation in which interagent communication emerges and evolves from initially noncommunicating EMM-based agents. Agents develop the capability to transmit their x and y position information over a one-dimensional channel via a complex, dialogue-based communication scheme. These evolved communication schemes are analyzed and their evolutionary trajectories examined, yielding significant insight into the emergence and subsequent evolution of cooperative communication. Evolved agents from NoiseWorld are successfully transferred onto physical robots, demonstrating the transferability of EMM-based AIs from simulation into physical reality.

A time-accurate finite volume method valid at all flow velocities

NASA Technical Reports Server (NTRS)

Kim, S.-W.

1993-01-01

A finite volume method to solve the Navier-Stokes equations at all flow velocities (e.g., incompressible, subsonic, transonic, supersonic and hypersonic flows) is presented. The numerical method is based on a finite volume method that incorporates a pressure-staggered mesh and an incremental pressure equation for the conservation of mass. Comparison of three generally accepted time-advancing schemes, i.e., Simplified Marker-and-Cell (SMAC), Pressure-Implicit-Splitting of Operators (PISO), and Iterative-Time-Advancing (ITA) scheme, are made by solving a lid-driven polar cavity flow and self-sustained oscillatory flows over circular and square cylinders. Calculated results show that the ITA is the most stable numerically and yields the most accurate results. The SMAC is the most efficient computationally and is as stable as the ITA. It is shown that the PISO is the most weakly convergent and it exhibits an undesirable strong dependence on the time-step size. The degenerated numerical results obtained using the PISO are attributed to its second corrector step that cause the numerical results to deviate further from a divergence free velocity field. The accurate numerical results obtained using the ITA is attributed to its capability to resolve the nonlinearity of the Navier-Stokes equations. The present numerical method that incorporates the ITA is used to solve an unsteady transitional flow over an oscillating airfoil and a chemically reacting flow of hydrogen in a vitiated supersonic airstream. The turbulence fields in these flow cases are described using multiple-time-scale turbulence equations. For the unsteady transitional over an oscillating airfoil, the fluid flow is described using ensemble-averaged Navier-Stokes equations defined on the Lagrangian-Eulerian coordinates. It is shown that the numerical method successfully predicts the large dynamic stall vortex (DSV) and the trailing edge vortex (TEV) that are periodically generated by the oscillating airfoil. The calculated streaklines are in very good comparison with the experimentally obtained smoke picture. The calculated turbulent viscosity contours show that the transition from laminar to turbulent state and the relaminarization occur widely in space as well as in time. The ensemble-averaged velocity profiles are also in good agreement with the measured data and the good comparison indicates that the numerical method as well as the multipletime-scale turbulence equations successfully predict the unsteady transitional turbulence field. The chemical reactions for the hydrogen in the vitiated supersonic airstream are described using 9 chemical species and 48 reaction-steps. Consider that a fast chemistry can not be used to describe the fine details (such as the instability) of chemically reacting flows while a reduced chemical kinetics can not be used confidently due to the uncertainty contained in the reaction mechanisms. However, the use of a detailed finite rate chemistry may make it difficult to obtain a fully converged solution due to the coupling between the large number of flow, turbulence, and chemical equations. The numerical results obtained in the present study are in good agreement with the measured data. The good comparison is attributed to the numerical method that can yield strongly converged results for the reacting flow and to the use of the multiple-time-scale turbulence equations that can accurately describe the mixing of the fuel and the oxidant.

CW deuterium fluoride chemical laser with reactant combination C2H4/NF3

NASA Astrophysics Data System (ADS)

Jiang, Zhongfu; Hua, Weihong

1998-05-01

The characters of combustion driven cw deuterium fluoride (DF) chemical laser with C2H4/NF3 reactant were numerically investigated. The numerical simulation was carried out using compressibility scaling method--a finite difference technique for the numerical integration of the steady and unsteady Navier-stokes equations for reactive flow. The small signal gain and the flow field were calculated. The numerical results shown that active zone length of the cw DF chemical laser with C2H4/NF3 is very long, which is about 6 cm, and the average cavity pressure is about 7 torr as the combustion pressure is about 1.5 atm. These results shown that the DF chemical laser with C2H4/NF3 is suitable for high cavity pressure performance.

Entropy and convexity for nonlinear partial differential equations.

PubMed

Ball, John M; Chen, Gui-Qiang G

2013-12-28

Partial differential equations are ubiquitous in almost all applications of mathematics, where they provide a natural mathematical description of many phenomena involving change in physical, chemical, biological and social processes. The concept of entropy originated in thermodynamics and statistical physics during the nineteenth century to describe the heat exchanges that occur in the thermal processes in a thermodynamic system, while the original notion of convexity is for sets and functions in mathematics. Since then, entropy and convexity have become two of the most important concepts in mathematics. In particular, nonlinear methods via entropy and convexity have been playing an increasingly important role in the analysis of nonlinear partial differential equations in recent decades. This opening article of the Theme Issue is intended to provide an introduction to entropy, convexity and related nonlinear methods for the analysis of nonlinear partial differential equations. We also provide a brief discussion about the content and contributions of the papers that make up this Theme Issue.

A Streamline-Upwind Petrov-Galerkin Finite Element Scheme for Non-Ionized Hypersonic Flows in Thermochemical Nonequilibrium

NASA Technical Reports Server (NTRS)

Kirk, Benjamin S.; Bova, Stephen W.; Bond, Ryan B.

2011-01-01

Presentation topics include background and motivation; physical modeling including governing equations and thermochemistry; finite element formulation; results of inviscid thermal nonequilibrium chemically reacting flow and viscous thermal equilibrium chemical reacting flow; and near-term effort.

Balancing on tightropes and slacklines

PubMed Central

Paoletti, P.; Mahadevan, L.

2012-01-01

Balancing on a tightrope or a slackline is an example of a neuromechanical task where the whole body both drives and responds to the dynamics of the external environment, often on multiple timescales. Motivated by a range of neurophysiological observations, here we formulate a minimal model for this system and use optimal control theory to design a strategy for maintaining an upright position. Our analysis of the open and closed-loop dynamics shows the existence of an optimal rope sag where balancing requires minimal effort, consistent with qualitative observations and suggestive of strategies for optimizing balancing performance while standing and walking. Our consideration of the effects of nonlinearities, potential parameter coupling and delays on the overall performance shows that although these factors change the results quantitatively, the existence of an optimal strategy persists. PMID:22513724

Flexible rotor balancing by the influence coefficient method: Multiple critical speeds with rigid or flexible supports

NASA Technical Reports Server (NTRS)

Tessarzik, J. M.

1975-01-01

Experimental tests were conducted to demonstrate the ability of the influence coefficient method to achieve precise balance of flexible rotors of virtually any design for operation through virtually any speed range. Various practical aspects of flexible-rotor balancing were investigated. Tests were made on a laboratory quality machine having a 122 cm (48 in.) long rotor weighing 50 kg (110 lb) and covering a speed range up to 18000 rpm. The balancing method was in every instance effective, practical, and economical and permitted safe rotor operation over the full speed range covering four rotor bending critical speeds. Improved correction weight removal methods for rotor balancing were investigated. Material removal from a rotating disk was demonstrated through application of a commercially available laser.

Let physics substantiate music and music enhance physics- give principle to the other disciplines.

NASA Astrophysics Data System (ADS)

Chang, Hui-Yiing

2006-03-01

A conventional practice in K-12 education is to synchronize the arts and the sciences. Physics, traditionally been considered the mother of the sciences, and music, the mother of the arts, are interdependent and help to establishing a complete understanding of the other disciplines. Intense musical expression is attained when progression aims towards infinity. Motions are made in curves across time, imitating physical phenomena. The meaning of each element is enhanced according to the relative duration and dynamics of its context. Complete musical expression considers the three dimensions of space- length, breadth and height- and the three dimensions of time- past, present and future when balancing the instrumental parts and developing the structural elements. Overall, equilibrium is sought for like gravitational forces as expressed in equations. In learning processes, sensing precedes reasoning. Music attunes one to sensitive reactions towards the environment while physics substantiates the concepts by imposing a hierarchical order, the highest form of which is elegantly beautiful and most effectively expressed in music.

Analysis of the internal temperature of the cells in a battery pack during SOC balancing

NASA Astrophysics Data System (ADS)

Mizanur, R.; Rashid, M. M.; Rahman, A.; Zahirul Alam, A. H. M.; Ihsan, S.; Mollik, M. S.

2017-03-01

Lithium-ion batteries are more suitable for the application of electric vehicle due to high energy and power density compared to other rechargeable batteries. However, the battery pack temperature has a great impact on the overall performance, cycle life, normal charging-discharging behaviour and even safety. During rapid charge transferring process, the internal temperature may exceed its allowable limit (460C). In this paper, an analysis of internal temperature during charge balancing and discharging conditions is presented. Specific interest is paid to the effects of temperature on the different rate of ambient temperature and discharging current. Matlab/Simulink Li-ion battery model and quasi-resonant converter base balancing system are used to study the temperature effect. Rising internal temperature depends on the rate of balancing current and ambient temperature found in the simulation results.

On the predictability of protein database search complexity and its relevance to optimization of distributed searches.

PubMed

Deciu, Cosmin; Sun, Jun; Wall, Mark A

2007-09-01

We discuss several aspects related to load balancing of database search jobs in a distributed computing environment, such as Linux cluster. Load balancing is a technique for making the most of multiple computational resources, which is particularly relevant in environments in which the usage of such resources is very high. The particular case of the Sequest program is considered here, but the general methodology should apply to any similar database search program. We show how the runtimes for Sequest searches of tandem mass spectral data can be predicted from profiles of previous representative searches, and how this information can be used for better load balancing of novel data. A well-known heuristic load balancing method is shown to be applicable to this problem, and its performance is analyzed for a variety of search parameters.

Apparatus and method for optimal phase balancing using dynamic programming with spatial consideration

DOEpatents

Robertazzi, Thomas G.; Skiena, Steven; Wang, Kai

2017-08-08

Provided are an apparatus and method for load-balancing of a three-phase electric power distribution system having a multi-phase feeder, including obtaining topology information of the feeder identifying supply points for customer loads and feeder sections between the supply points, obtaining customer information that includes peak customer load at each of the points between each of the feeder sections, performing a phase balancing analysis, and recommending phase assignment at the customer load supply points.

Mesh-Sequenced Realizations for Evaluation of Subgrid-Scale Models for Turbulent Combustion (Short Term Innovative Research Program)

DTIC Science & Technology

2018-02-15

conservation equations. The closure problem hinges on the evaluation of the filtered chemical production rates. In MRA/MSR, simultaneous large-eddy...simulations of a reactive flow are performed at different mesh resolution levels. The solutions at each coarser mesh level are constrained by the filtered ...include the replacement of chemical production rates with those filtered from the underlying fine mesh and the construction of ‘exact’ forms for

Study the effect of chemical reaction and variable viscosity on free convection MHD radiating flow over an inclined plate bounded by porous medium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ali, M., E-mail: ali.mehidi93@gmail.com; Department of Mathematics, Chittagong University of Engineering and Technology, Chittagong-4349; Alim, M. A., E-mail: maalim@math.buet.ac.bd

An analysis is performed to study the free convection heat and mass transfer flow of an electrically conducting incompressible viscous fluid about a semi-infinite inclined porous plate under the action of radiation, chemical reaction in presence of magnetic field with variable viscosity. The dimensionless governing equations are steady, two-dimensional coupled and non-linear ordinary differential equation. Nachtsgeim-Swigert shooting iteration technique along with Runge-Kutta integration scheme is used to solve the non-dimensional governing equations. The effects of magnetic parameter, viscosity parameter and chemical reaction parameter on velocity, temperature and concentration profiles are discussed numerically and shown graphically. Therefore, the results of velocitymore » profile decreases for increasing values of magnetic parameter and viscosity parameter but there is no effect for reaction parameter. The temperature profile decreases in presence of magnetic parameter, viscosity parameter and Prandtl number but increases for radiation parameter. Also, concentration profile decreases for the increasing values of magnetic parameter, viscosity parameter and reaction parameter. All numerical calculations are done with respect to salt water and fixed angle of inclination of the plate.« less

A two-phase model of plantar tissue: a step toward prediction of diabetic foot ulceration.

PubMed

Sciumè, G; Boso, D P; Gray, W G; Cobelli, C; Schrefler, B A

2014-11-01

A new computational model, based on the thermodynamically constrained averaging theory, has been recently proposed to predict tumor initiation and proliferation. A similar mathematical approach is proposed here as an aid in diabetic ulcer prevention. The common aspects at the continuum level are the macroscopic balance equations governing the flow of the fluid phase, diffusion of chemical species, tissue mechanics, and some of the constitutive equations. The soft plantar tissue is modeled as a two-phase system: a solid phase consisting of the tissue cells and their extracellular matrix, and a fluid one (interstitial fluid and dissolved chemical species). The solid phase may become necrotic depending on the stress level and on the oxygen availability in the tissue. Actually, in diabetic patients, peripheral vascular disease impacts tissue necrosis; this is considered in the model via the introduction of an effective diffusion coefficient that governs transport of nutrients within the microvasculature. The governing equations of the mathematical model are discretized in space by the finite element method and in time domain using the θ-Wilson Method. While the full mathematical model is developed in this paper, the example is limited to the simulation of several gait cycles of a healthy foot. Copyright © 2014 John Wiley & Sons, Ltd.