Comprehensive Chemical Kinetics: Unimolecular Kinetics, Part 1. The Reaction Step: 39

Unimolecular kinetics. Part 1, The reaction step

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Your rating has been recorded. Write a review Rate this item: Preview this item Preview this item. Part 1, The reaction step Author: N J B Green Publisher: Comprehensive chemical kinetics , v. Allow this favorite library to be seen by others Keep this favorite library private. Find a copy in the library Finding libraries that hold this item Electronic books Additional Physical Format: A note on the kinetics of enzyme action. Influence of uncertainties in rate constants on computed burning velocities.

Comparative sensitivity analysis of transport properties and reaction rate coefficients. Progress toward a unified detailed kinetic model for the autoignition of alkanes from C 4 to C 10 between and K. Discrete simulation methods in combustion kinetics. Flame 23 , Thermodyanamic database at http: Thermochemical data for combustion calculations. Third Millenium ideal gas and condensed phase thermochemical database for combustion with updates from Active Thermochemical Tables. Numerical Analysis 5th ed.

Prindle, Weber and Schmidt, Boston Repro-modelling based generation of intrinsic low-dimensional manifolds. Fast and slow invariant manifolds in chemical kinetics. System decomposition technique for spray modelling in CFD codes. Fluids 36 , — The extension of the ILDM concept to reaction-diffusion manifolds. Extension of the ILDM method to the domain of slow chemistry. Investigation of the hierarchical structure of kinetic models in ignition problems.

An effective screening design for sensitivity analysis of large models. Enhancing the Morris method. From screening to quantitative sensitivity analysis. Tackling quantitatively large dimensionality problems. PDF modeling of lean premixed combustion using in situ tabulated chemistry. An open-source, object-oriented software suite for combustion. Modeling of chemical reactions. Sensitivity of a Titan ionospheric model to the ion-molecule reaction parameters. Planetary and Space Science 56 , a.

Uncertainty analysis of bimolecular reactions in Titan ionosphere chemistry model. Planetary and Space Science 55 , Modeling of branching ratio uncertainty in chemical networks by Dirichlet distributions. Toward a reduction of the bimolecular reaction model for Titan's ionosphere. Mechanism reduction and uncertainty analysis. D , The kinetics of pressure-dependent reactions.

Modeling of chemical reactions, vol. Pathway information for systems biology. FEBS Letters , — The interaction of chlorine and hydrogen. The influence of mass. Sensitivity analysis of mathematical models of signaling pathways. BioTechnologia 93 , Proc Combust Inst 34 , — Reaction Design, San Diego Kinetic analysis of a molecular model of the budding yeast cell cycle. Cell 11 , a. A general procedure for constructing reduced reaction-mechanisms with given independent relations. Analysis of in situ adaptive tabulation performance for combustion chemistry and improvement with a modified search algorithm.

An economical strategy for storage of chemical kinetics: Fitting in situ adaptive tabulation with artificial neural networks. Numerical simulation and scaling of NOx emissions from turbulent hydrogen jet flames with various amounts of helium dilution. Speedy solution of quasi-steady-state species by combination of fixed-point iteration and matrix inversion. Atmospheric Environment 55 , Uncertainty quantification and apportionment in air quality models using the polynomial chaos method.

Automatic generation of reaction mechanisms for description of oxidation of higher hydrocarbons. Comparison of invariant manifolds for model reduction in chemical kinetics. Method of invariant grid for model reduction of hydrogen combustion. An expert system for hydrocarbon pyrolysis reactions. Chemometrics and Intelligent Lab.

Fast prediction of start-of-cornbustion in HCCI with combined artificial neural networks and ignition delay model. Continuum theory for lumping nonlinear reactions. Flame , a. Utilising artifical neural network and repro-modelling in turbulent combustion. State-preserving nonlinear model reduction procedure.

Continuous kinetic lumping of catalytic cracking processes. Modeling networks of coupled enzymatic reactions using the total quasi-steady state approximation. Royal Society of Chemistry, Cambridge An induction parameter model for shock-induced hydrogen combustion simulations. Detailed chemistry-based auto-ignition model including low temperature phenomena applied to 3-D engine calculations.

A Monte Carlo uncertainty analysis of ozone trend predictions in a two-dimensional model. Coupling of in situ adaptive tabulation and dynamic adaptive chemistry: An effective method for solving combustion in engine simulations. Improvement of the modeling of the low-temperature oxidation of n -butane: Study of the primary reactions.

A 24 , Kernel density weighted principal component analysis of combustion processes. MG-local-PCA method for reduced order combustion modeling. Ozone production rates in an oxygen - hydrogen - nitrogen oxide atmosphere J. Nonlinear sensitivity analysis of multiparameter model systems. Nonlinear sensitivity analysis of multi-parameter model systems. Study of sensitivity of coupled reaction systems to uncertainties in rate coefficients 3. Assessment of a transient homogeneous reactor through in situ adaptive tabulation. A computational tool for the detailed kinetic modeling of laminar flames: Flame , — a.

Numerical modeling of laminar flames with detailed kinetics based on the operator-splitting method. Energy Fuels 27 , — b. From a network of computed reaction enthalpies to atom-based thermochemistry NEAT. Direct and adjoint sensitivity analysis of chemical kinetic systems with KPP: Part II - Validation and numerical experiments. The ignition, oxidation, and combustion of kerosene: A review of experimental and kinetic modeling.

Chemical kinetic study of the effect of a biofuel additive on Jet-A1 combustion. Proper orthogonal decomposition analysis of autoignition simulation data of nonhomogeneous hydrogen-air mixtures. Sensitivity analysis of bacterial chemotaxis models. Procedia Computer Science 7 , Reduction of a biochemical model with preservation of its basic dynamic properties.

A , a.

Numerical analysis and method development. A , b. Geometric investigation of low-dimensional manifolds in systems approaching equilibrium. Global sensitivity analysis of chemical-kinetic reaction mechanisms: Construction and deconstruction of the probability density function. Spatial dynamics of steady flames 1. Phase space structure and the dynamics of individual trajectories. Spatial dynamics of steady flames 2. Low-dimensional manifolds and the role of transport processes. A new approach to response surface development for detailed gas-phase and surface reaction kinetic model optimization.

De Avillez Pereira, R. New flamelet based reduction methods: Modeling and simulation of genetic regulatory systems: Sensitivity analysis of stochastic models of bistable biochemical reactions. Application of sensitivity and uncertainty analysis techniques to a photochemical ozone model. Treating uncertainty in models of the atmospheric chemistry of nitrogen compounds.

Missing OH reactivity in a forest: Evidence for unknown reactive biogenic VOCs. Science , Sensitivity analysis of ordinary differential equation systems - Direct Method. A sensitivity analysis study for RADM2 mechanism using automatic differentiation. Partitioning techniques for reduction in chemical kinetics. Reduction of multiphase atmospheric chemistry.

Epistemic bimodality and kinetic hypersensitivity in photochemical models of Titan's atmosphere. Planetary and Space Science 56 , Comparison of methods for the determination of key reactions in chemical systems: A method for robust model order reduction in pharmacokinetics. Proper lumping in systems biology models. Contrast between and high-latitude spring Halogen Occultation Experiment observations of lower stratospheric HCl.

Thermodynamic modeling of transcription: BMC Systems Biology 4 Efficient calculation of sensitivity coefficients for complex atmospheric models. The Decoupled Direct Method for calculating sensitivity coefficients in chemical kinetics. The reduction and parameterization of chemical mechanisms for inclusion in atmospheric reaction-transport models.

Pre-integrated response map for inviscid propane-air detonation. Combust Sci Technol , — On the solution of differential equations arising in chemical kinetics. A computational analysis of the alkane pyrolysis mechanism: Sensitivity analysis of individual reaction steps. Sensitivity analysis of oscillating reactions. Kinetic model reduction using genetic algorithms. Reaction mechanism simplification using mixed-integer nonlinear programming.

Genetic algorithms for optimisation of chemical kinetics reaction mechanisms. Reaction mechanism reduction and optimization using genetic algorithms. Reaction mechanism reduction and optimisation for modelling aviation fuel oxidation using standard and hybrid genetic algorithms. A streamlined family photochemistry module reproduces major nonlinearities in the global tropospheric ozone system. Tests on combined projection forward differencing integration for stiff photochemical family systems at long-time step.

Mixing time-history effects in Large Eddy Simulation of non-premixed turbulent flames: Theory and mostly systems biological applications. Mathematical models of chemical reactions. Effect of binary diffusion and chemical kinetic parameter uncertainties in simulations of premixed and non-premixed laminar hydrogen flames.

Steady-state approximation - Fact or fiction? An automatic differentiation platform: Good permutations for extreme discrepancy. Model discrimination using data collaboration. Consistency of a reaction dataset.

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Ieee, New York Optimizing genetic circuits by global sensitivity analysis. Geometric singular perturbation theory for ordinary differential equations. Equations 31 , 53—98 Oscillations in chemical systems II. Thorough analysis of temporal oscillation in the bromate-cerium-malonic acid system. Oscillations in chemical systems.

Limit cycle behavior in a model of a real reaction. Approximating the chemical structure of partially premixed and diffusion counterflow flames using FPI flamelet tabulation. Combustion chemistry and parameter estimation. Model based parameter estimation.

Springer, Berlin Heidelberg The automatic generation of reduced mechanisms for tropospheric chemistry modelling. Wiring diagrams for complex reaction networks. Use and abuse of the quasi-steady-state approximation. LES using artificial neural networks for chemistry representation. Fluid Dynamics 5 , Visualisation tool for element fluxes. Ignition of counterflowing methane versus heated air under reduced and elevated pressures. Automatic reduction of detailed mechanisms of combustion of alkanes by chemical lumping.

The steady state and equilibrium approximations: Phase-plane geometries in enzyme-kinetics. Computer modeling of infinite reaction sequences - a chemical lumping. Reduction of chemical reaction models. Numerical approaches to combustion modeling. American Institute of Aeronautics and Astronautics, Inc. Transforming data into knowledge - process informatics for combustion chemistry.

Aerosol dynamics modeling using the method of moments. Systematic development of reduced mechanisms for dynamic modeling. Aeronautics , Collaborative data processing in developing predictive models of complex reaction systems. Optimization and analysis of large chemical kinetic mechanisms using the solution mapping method - combustion of methane. Analysis and reduction of the CH 4 -air mechanism at lean conditions.

Proper orthogonal decomposition of direct numerical simulation data: Data reduction and observer construction. Confidence of simulation results: Energy and Buildings 30 , A systematic method for reaction invariants and mole balances for complex chemistries. Monte Carlo simulation of option prices. First-order sensitivity and uncertainty analysis for a regional-scale gas-phase chemical mechanism. Global uncertainty analysis of a regional-scale gas-phase chemical mechanism.

Asymptotic analysis of the boundary layer H 2 ignition by a hot flat plate with thermal diffusion. Flame 96 , The automatic integration of ordinary differential equations. Numerical Mathematics 14 , ODE methods for the solution of differential algebraic systems.

Diffusion, reaction and the pseudo-steady-state hypothesis. Biochem 25 , A photochemical kinetics mechanism for urban and regional scale computer modeling. D94 , Tabulation of complex chemistry based on self-similar behavior of laminar premixed flames. Direct numerical simulation of turbulent premixed flames using intrinsic low-dimensional manifolds. Theory of thermal unimolecular reactions in the fall-off range.

Weak collision rate constants. A general method for numerically simulating the stochastic time evolution of coupled chemical reactions. Exact stochastic simulation of coupled chemical reactions. Stochastic simulation of chemical kinetics. Construction and simplification of a model for the oxidation of alkanes. Modeling of the oxidation of methyl esters-Validation for methyl hexanoate, methyl heptanoate, and methyl decanoate in a jet-stirred reactor. Optimization of reduced kinetic models for reactive flow simulations.

Gas Turbines Power , A functional-PCA approach for analyzing and reducing complex chemical mechanisms. Uncertainty propagation in the derivation of phenomenological rate coefficients from theory: A case study of n -propyl radical oxidation. Matrix computations, second ed. John Hopkins, Baltimore Calculation of molecular thermochemical data and their availability in databases. Developing detailed chemical kinetic models. ComPlexUs 2 , — a. Invariant manifolds for physical and chemical kinetics. Method of invariant manifold for chemical kinetics. Constructive methods of invariant manifolds for kinetic problems.

Invariant grids for reaction kinetics. Physica A , c. A dynamic adaptive chemistry scheme with error control for combustion modeling with a large detailed mechanism. On the construction and use of reduced chemical kinetic mechanisms produced on the basis of given algebraic relations. Quasi steady state and partial equilibrium approximations: A study of homogeneous methanol oxidation kinetics using CSP. Model reduction for combustion chemistry. Model reduction and physical understanding of slowly oscillating processes: Nitrogen chemistry controlling steps in methane-air premixed flames.

Computational Fluid and Solid Mechanics. Transport-chemistry interactions in laminar premixed hydrogen-air flames near flammability limits. An efficient iterative algorithm for the approximation of the fast and slow dynamics of stiff systems. Computational Fluid and Solid Mechanics, vol. Reactive and reactive-diffusive time scales in stiff reaction-diffusion systems. Progress in Computational Fluid Dynamics 5 , b. A wide range kinetic modeling study of the pyrolysis and combustion of naphthenes. Combust Flame , A New Approach for the 21st Century.

Advances in Chemical Engineering, vol. Computer construction of detailed chemical kinetic models for gas-phase reactors. Ind Eng Chem Res 40 , — Application of computational kinetic mechanism generation to model the autocatalytic pyrolysis of methane. Reduced kinetic-models and their application to practical combustion systems.

Sensitivity analysis of discrete stochastic systems. Classification of ignition regimes in HCCI combustion using computational singular perturbation. Universally sloppy parameter sensitivities in systems biology models. The reaction diffusion equation. Oxidation of methyl and ethyl butanoates. On the efficiency of certain quasi-random sequences of points in evaluating multi-dimensional integrals.

Numerische Mathematik 2 , Model complexity reduction of chemical reaction networks using mixed-integer quadratic programming. High-temperature oxidation chemistry of n -butanol — experiments in low-pressure premixed flames and detailed kinetic modeling. PCCP 13 , — The predictive capability of an automatically generated combustion chemistry mechanism: Chemical structures of premixed iso -butanol flames.

Multiple reaction mechanisms in catalysis. Comprehensive reaction mechanism for n -butanol pyrolysis and combustion. Flame , 16—41 The optimisation of reaction rate parameters for chemical kinetic modelling of combustion using genetic algorithms. Computer Methods in Applied Mechanics and Engineering , A model of reduced oxidation kinetics using constituents and species: Iso -octane and its mixtures with n -pentane, iso -hexane and n -heptane. A model of reduced kinetics for alkane oxidation using constituents and species: Proof of concept for n -heptane.

Flame , — b. On-the-fly reduction of kinetic mechanisms using element flux analysis. A graph-based approach to developing adaptive representations of complex reaction mechanisms.

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Mechanism reduction techniques applied to tropospheric chemistry. A , — On the mathematical status of the pseudo-steady-state hypothesis of biochemical kinetics. Latin hypercube sampling and the propagation of uncertainty in analyses of complex systems. Safety 81 , 23—69 Survey of sampling-based methods for uncertainty and sensitivity analysis.

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Detailed chemical kinetic mechanism for the oxidation of biodiesel fuels blend surrogate. Detailed chemical kinetic oxidation mechanism for a biodiesel surrogate Combust. Reduction of kinetic mechanisms for fuel oxidation through genetic algorithms. Modelling 52 , Correlation analysis of complex kinetic systems: A new scheme for utilizing sensitivity coefficients. Quasi-steady-state approximations in air-pollution modeling - comparison of two numerical schemes for oxidant prediction.

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Accuracy and Stability of Numerical Algorithms. A study of the rate-controlled constrained-equilibrium dimension reduction method and its different implementations. A greedy algorithm for species selection in dimension reduction of combustion chemistry. On apparent second-order kinetics. Sampling and sensitivity analyses tools SaSAT for computational modelling.

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Modelling 5 , 4 Importance measures in global sensitivity analysis of nonlinear models. Safety 52 , 1—17 A surrogate fuel for kerosene. Bioinformatics 22 , Theory of reaction rates as based on the stoichiometric number concept. Sensitivity analysis and design optimization through automatic differentiation. Modeling study on soot formation at high pressures. A systematic lumping approach for the reduction of comprehensive kinetic models. The application of the QSSA via reaction lumping for the reduction of complex hydrocarbon oxidation mechanisms. Evaluation of models for the low temperature combustion of alkanes through interpretation of pressure-temperature ignition diagrams.

PCCP 8 , An investigation of important gas-phase reactions of nitrogenous species from the simulation of experimental measurements in combustion systems. Development and testing of a comprehensive chemical mechanism for the oxidation of methane. Nonlinear sensitivity analysis in chemical kinetics. ROC 6 , Greens Function Method of sensitivity analysis in chemical kinetics. Sensitivity analysis of parameters controlling oscillatory signalling in the NF- k B pathway: Syst Biol 1 , Generation of optimal artificial neural networks using a pattern search algorithm: Application to approximation of chemical systems.

Neural Computation 20 , Optimal artificial neural networks and tabulation methods for chemistry representation in LES of a bluff-body swirl-stabilized flame. Formulation reproducing the ignition delays simulated by a detailed mechanism: Application to n -heptane combustion. Autonomously oscillating biochemical systems: Parametric sensitivities of extrema and period. IEE Systems Biology 1 , 62—70 Genetic algorithms and very fast simulated re-annealing - A comparison.

A flow-tube based laser-induced fluorescence instrument to measure OH reactivity in the troposphere. Atmospheric Measurement Techniques 2 , Reduction of detailed reaction mechanisms for large hydrocarbons combustion by the ILDM method. Development of a reduced biodiesel combustion kinetics mechanism for CFD modelling of a light-duty diesel engine. Fuel , — Fundamentals of atmospheric modeling 2nd edition ed. Cambridge University Press, Ten iterative steps in development and evaluation of environmental models.

An extensible framework for capturing solvent effects in computer generated kinetic models. J Phys Chem B , In situ detailed chemistry calculations in combustor flow analyses. ASME , Kinetics of the reaction of methyl radical with hydroxyl radical and methanol decomposition. Improved quasi-steady-state-approximation methods for atmospheric chemistry integration. A variable volume approach of tabulated detailed chemistry and its applications to multidimensional engine simulations.

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