Download or read book Rate Constant Calculation for Thermal Reactions written by Herbert DaCosta and published by John Wiley & Sons. This book was released on 2011-12-28 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt: Providing an overview of the latest computational approaches to estimate rate constants for thermal reactions, this book addresses the theories behind various first-principle and approximation methods that have emerged in the last twenty years with validation examples. It presents in-depth applications of those theories to a wide range of basic and applied research areas. When doing modeling and simulation of chemical reactions (as in many other cases), one often has to compromise between higher-accuracy/higher-precision approaches (which are usually time-consuming) and approximate/lower-precision approaches (which often has the advantage of speed in providing results). This book covers both approaches. It is augmented by a wide-range of applications of the above methods to fuel combustion, unimolecular and bimolecular reactions, isomerization, polymerization, and to emission control of nitrogen oxides. An excellent resource for academics and industry members in physical chemistry, chemical engineering, and related fields.
Download or read book Reaction Rate Constant Computations written by Keli Han and published by Royal Society of Chemistry. This book was released on 2014 with total page 592 pages. Available in PDF, EPUB and Kindle. Book excerpt: The reaction rate constant plays an essential role a wide range of processes in biology, chemistry and physics. Calculating the reaction rate constant provides considerable understanding to a reaction and this book presents the latest thinking in modern rate computational theory. The editors have more than 30 years' experience in researching the theoretical computation of chemical reaction rate constants by global dynamics and transition state theories and have brought together a global pool of expertise discussing these in a variety of contexts and across all phases. This thorough treatment of the subject provides an essential handbook to students and researchers entering the field and a comprehensive reference to established practitioners across the sciences, providing better tools to determining reaction rate constants.
Download or read book Chemistry 2e written by Paul Flowers and published by . This book was released on 2019-02-14 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemistry 2e is designed to meet the scope and sequence requirements of the two-semester general chemistry course. The textbook provides an important opportunity for students to learn the core concepts of chemistry and understand how those concepts apply to their lives and the world around them. The book also includes a number of innovative features, including interactive exercises and real-world applications, designed to enhance student learning. The second edition has been revised to incorporate clearer, more current, and more dynamic explanations, while maintaining the same organization as the first edition. Substantial improvements have been made in the figures, illustrations, and example exercises that support the text narrative. Changes made in Chemistry 2e are described in the preface to help instructors transition to the second edition.
Download or read book The Calculation of Thermal Rate Constants for Gas Phase and Heterogeneous Reactions in Combustion Processes written by Bruce C. Garrett and published by . This book was released on 1987 with total page 11 pages. Available in PDF, EPUB and Kindle. Book excerpt: This final report summarizes work performed on a three year research program to develop theoretical methods to aid in the interpretation and modeling of combustion processes. The methods developed are based upon variational transition state theory and applied to gas-phase and heterogeneous reactions.
Download or read book Physical Chemistry for the Biosciences written by Raymond Chang and published by University Science Books. This book was released on 2005-02-11 with total page 706 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is ideal for use in a one-semester introductory course in physical chemistry for students of life sciences. The author's aim is to emphasize the understanding of physical concepts rather than focus on precise mathematical development or on actual experimental details. Subsequently, only basic skills of differential and integral calculus are required for understanding the equations. The end-of-chapter problems have both physiochemical and biological applications.
Download or read book A Textbook of Physical Chemistry Volume 1 written by Mandeep Dalal and published by Dalal Institute. This book was released on 2018-01-01 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: An advanced-level textbook of physical chemistry for the graduate (B.Sc) and postgraduate (M.Sc) students of Indian and foreign universities. This book is a part of four volume series, entitled "A Textbook of Physical Chemistry – Volume I, II, III, IV". CONTENTS: Chapter 1. Quantum Mechanics – I: Postulates of quantum mechanics; Derivation of Schrodinger wave equation; Max-Born interpretation of wave functions; The Heisenberg’s uncertainty principle; Quantum mechanical operators and their commutation relations; Hermitian operators (elementary ideas, quantum mechanical operator for linear momentum, angular momentum and energy as Hermition operator); The average value of the square of Hermitian operators; Commuting operators and uncertainty principle(x & p; E & t); Schrodinger wave equation for a particle in one dimensional box; Evaluation of average position, average momentum and determination of uncertainty in position and momentum and hence Heisenberg’s uncertainty principle; Pictorial representation of the wave equation of a particle in one dimensional box and its influence on the kinetic energy of the particle in each successive quantum level; Lowest energy of the particle. Chapter 2. Thermodynamics – I: Brief resume of first and second Law of thermodynamics; Entropy changes in reversible and irreversible processes; Variation of entropy with temperature, pressure and volume; Entropy concept as a measure of unavailable energy and criteria for the spontaneity of reaction; Free energy, enthalpy functions and their significance, criteria for spontaneity of a process; Partial molar quantities (free energy, volume, heat concept); Gibb’s-Duhem equation. Chapter 3. Chemical Dynamics – I: Effect of temperature on reaction rates; Rate law for opposing reactions of Ist order and IInd order; Rate law for consecutive & parallel reactions of Ist order reactions; Collision theory of reaction rates and its limitations; Steric factor; Activated complex theory; Ionic reactions: single and double sphere models; Influence of solvent and ionic strength; The comparison of collision and activated complex theory. Chapter 4. Electrochemistry – I: Ion-Ion Interactions: The Debye-Huckel theory of ion- ion interactions; Potential and excess charge density as a function of distance from the central ion; Debye Huckel reciprocal length; Ionic cloud and its contribution to the total potential; Debye - Huckel limiting law of activity coefficients and its limitations; Ion-size effect on potential; Ion-size parameter and the theoretical mean-activity coefficient in the case of ionic clouds with finite-sized ions; Debye - Huckel-Onsager treatment for aqueous solutions and its limitations; Debye-Huckel-Onsager theory for non-aqueous solutions; The solvent effect on the mobality at infinite dilution; Equivalent conductivity (Λ) vs. concentration c 1/2 as a function of the solvent; Effect of ion association upon conductivity (Debye- Huckel - Bjerrum equation). Chapter 5. Quantum Mechanics – II: Schrodinger wave equation for a particle in a three dimensional box; The concept of degeneracy among energy levels for a particle in three dimensional box; Schrodinger wave equation for a linear harmonic oscillator & its solution by polynomial method; Zero point energy of a particle possessing harmonic motion and its consequence; Schrodinger wave equation for three dimensional Rigid rotator; Energy of rigid rotator; Space quantization; Schrodinger wave equation for hydrogen atom, separation of variable in polar spherical coordinates and its solution; Principle, azimuthal and magnetic quantum numbers and the magnitude of their values; Probability distribution function; Radial distribution function; Shape of atomic orbitals (s,p & d). Chapter 6. Thermodynamics – II: Classius-Clayperon equation; Law of mass action and its thermodynamic derivation; Third law of thermodynamics (Nernest heat theorem, determination of absolute entropy, unattainability of absolute zero) and its limitation; Phase diagram for two completely miscible components systems; Eutectic systems, Calculation of eutectic point; Systems forming solid compounds Ax By with congruent and incongruent melting points; Phase diagram and thermodynamic treatment of solid solutions. Chapter 7. Chemical Dynamics – II: Chain reactions: hydrogen-bromine reaction, pyrolysis of acetaldehyde, decomposition of ethane; Photochemical reactions (hydrogen - bromine & hydrogen -chlorine reactions); General treatment of chain reactions (ortho-para hydrogen conversion and hydrogen - bromine reactions); Apparent activation energy of chain reactions, Chain length; Rice-Herzfeld mechanism of organic molecules decomposition(acetaldehyde); Branching chain reactions and explosions ( H2-O2 reaction); Kinetics of (one intermediate) enzymatic reaction : Michaelis-Menton treatment; Evaluation of Michaelis 's constant for enzyme-substrate binding by Lineweaver-Burk plot and Eadie-Hofstae methods; Competitive and non-competitive inhibition. Chapter 8. Electrochemistry – II: Ion Transport in Solutions: Ionic movement under the influence of an electric field; Mobility of ions; Ionic drift velocity and its relation with current density; Einstein relation between the absolute mobility and diffusion coefficient; The Stokes- Einstein relation; The Nernst -Einstein equation; Walden’s rule; The Rate-process approach to ionic migration; The Rate process equation for equivalent conductivity; Total driving force for ionic transport, Nernst - Planck Flux equation; Ionic drift and diffusion potential; the Onsager phenomenological equations; The basic equation for the diffusion; Planck-Henderson equation for the diffusion potential.
Download or read book A Review of Rate Constants of Selected Reactions of Interest in Re entry Flow Fields in the Atmosphere written by M. H. Bortner and published by . This book was released on 1969 with total page 68 pages. Available in PDF, EPUB and Kindle. Book excerpt: The major reactions normally encountered in flow field-re-entry calculations for the oxygen nitrogen system are reviewed and a rate constant value for each reaction is recommended. Collisional ionization processes, charge exchange reactions and attachment-detachment reactions are included. In all, over twenty forward and reverse reactions are reviewed. Additionally, a large number of rate constant values for reactions which also effect flow field calculations are given.
Download or read book Thermal Reactions of Shale oil Components written by Irven Allan Jacobson and published by . This book was released on 1966 with total page 60 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Chemical Kinetics and Reaction Dynamics written by Santosh K. Upadhyay and published by Springer Science & Business Media. This book was released on 2007-04-29 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical Kinetics and Reaction Dynamics brings together the major facts and theories relating to the rates with which chemical reactions occur from both the macroscopic and microscopic point of view. This book helps the reader achieve a thorough understanding of the principles of chemical kinetics and includes: Detailed stereochemical discussions of reaction steps Classical theory based calculations of state-to-state rate constants A collection of matters on kinetics of various special reactions such as micellar catalysis, phase transfer catalysis, inhibition processes, oscillatory reactions, solid-state reactions, and polymerization reactions at a single source. The growth of the chemical industry greatly depends on the application of chemical kinetics, catalysts and catalytic processes. This volume is therefore an invaluable resource for all academics, industrial researchers and students interested in kinetics, molecular reaction dynamics, and the mechanisms of chemical reactions.
Download or read book Reaction Kinetics for Chemical Engineers written by Stanley M. Walas and published by Butterworth-Heinemann. This book was released on 2013-10-22 with total page 353 pages. Available in PDF, EPUB and Kindle. Book excerpt: Reaction Kinetics for Chemical Engineers focuses on chemical kinetics, including homogeneous reactions, nonisothermal systems, flow reactors, heterogeneous processes, granular beds, catalysis, and scale-up methods. The publication first takes a look at fundamentals and homogeneous isothermal reactions. Topics include simple reactions at constant volume or pressure, material balance in complex reactions, homogeneous catalysis, effect of temperature, energy of activation, law of mass action, and classification of reactions. The book also elaborates on adiabatic and programmed reactions, continuous stirred reactors, and homogeneous flow reactions. Topics include nonisothermal flow reactions, semiflow processes, tubular-flow reactors, material balance in flow problems, types of flow processes, rate of heat input, constant heat-transfer coefficient, and nonisothermal conditions. The text ponders on uncatalyzed heterogeneous reactions, fluid-phase reactions catalyzed by solids, and fixed and fluidized beds of particles. The transfer processes in granular masses, fluidization, heat and mass transfer, adsorption rates and equilibria, diffusion and combined mechanisms, diffusive mass transfer, and mass-transfer coefficients in chemical reactions are discussed. The publication is a dependable source of data for chemical engineers and readers wanting to explore chemical kinetics.
Download or read book Rates and Mechanisms of Chemical Reactions written by W. C. Gardiner (Jr.) and published by Benjamin-Cummings Publishing Company. This book was released on 1969 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Gas Phase Thermal Reactions written by Guy-Marie Côme and published by Springer Science & Business Media. This book was released on 2013-03-14 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is devoted to Gas-Phase Thermal Reactions (GPTRs), and especially combustion reactions, which take place in engines, burners and industrial chemical reactors to produce mechanical or thermal energy to incinerate pollutants or to manufacture chemical substances, and which play an important part due to the consequences they have on the environment : fires and explosions, tropospheric pollution, greenhouse effect, hole in the stratospheric ozone layer. The design and running of engines, burners, incinerators, industrial reactors, both economical in fuels, raw materials and energy, efficient, safe and clean, as weIl as the scientific evaluation of the causes and the effects of atmospheric pollutions with a view to taking rational environmental decisions, which necessitate an understanding of the fundamental mechanisms of these reactions and an access to models allowing numerical simulations of the phenomena being studied to be carried out. The analysis of the results ofthe simulations then allows an optimal solution to be found to the industrial problem or to extrapolate the natural phenomena.
Download or read book General Chemistry written by Ralph H. Petrucci and published by Prentice Hall. This book was released on 2010-05 with total page 10 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Diffusion and Heat Exchange in Chemical Kinetics written by David Albertovich Frank-Kamenetskii and published by Princeton University Press. This book was released on 2015-12-08 with total page 383 pages. Available in PDF, EPUB and Kindle. Book excerpt: Frank-Kamenetskii, a leader in Russian science, was the first to define conditions for two stable operating regimes in chemical reactions, one controlled by chemical reactions, the other by diffusion processes. In this book he treats mathematically the subjects of reaction ignition, quenching, and periodic processes in chemical kinetics as found in flames, combustion of solids, and other chemical reactions. The book was translated from the Russian by the late N. Thou and edited by R. Wilhelm. Originally published in 1955. The Princeton Legacy Library uses the latest print-on-demand technology to again make available previously out-of-print books from the distinguished backlist of Princeton University Press. These editions preserve the original texts of these important books while presenting them in durable paperback and hardcover editions. The goal of the Princeton Legacy Library is to vastly increase access to the rich scholarly heritage found in the thousands of books published by Princeton University Press since its founding in 1905.
Download or read book Kinetics of the Thermal Decomposition Reaction of Difluorochloromethylperoxynitrate written by Judy Qiuju Xiong and published by . This book was released on 1991 with total page 446 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Rate Constant Estimation for Thermal Reactions written by Herbert DaCosta and published by . This book was released on 2012 with total page 341 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Diffusion and Heat Transfer in Chemical Kinetics written by David Alʹbertovich Frank-Kamenet︠s︡kiĭ and published by . This book was released on 1969 with total page 610 pages. Available in PDF, EPUB and Kindle. Book excerpt:
