Modelling of Chemical Reaction Systems

• Author : K.H. Ebert,P. Deuflhard,W. Jäger
• Publisher : Springer
• Release : 10 December 2011

For rather a long time numerical results in chemical kinetics could only be obtained for very simple chemical reactions, most of which were of minor practi ca 1 importance. The avail abil ity of fast computers has provi ded new opportunities for developments in chemical kinetics. Chemical systems of practical interest are usually very complicated. They consi st of a great number of different el ementary chemi cal reacti ons, mostly with rate constants differi ng by many orders of magni

• Author : Péter Érdi,János Tóth
• Publisher : Manchester University Press
• Release : 15 June 1989

• Author : R.W. Carr
• Publisher : Elsevier
• Release : 04 September 2007

Modeling of Chemical Reactions covers detailed chemical kinetics models for chemical reactions. Including a comprehensive treatment of pressure dependent reactions, which are frequently not incorporated into detailed chemical kinetic models, and the use of modern computational quantum chemistry, which has recently become an extraordinarily useful component of the reaction kinetics toolkit. It is intended both for those who need to model complex chemical reaction processes but have little background in the area, and those who are already have experience and

• Author : Arieh Warshel
• Publisher : Wiley-Interscience
• Release : 29 November 1991

This practical reference explores computer modeling of enzyme reations--techniques that help chemists, biochemists and pharmaceutical researchers understand drug and enzyme action.

• Author : Said S.E.H. Elnashaie,Parag Garhyan
• Publisher : CRC Press
• Release : 26 March 2003

Presenting strategies in control policies, this text uses a systems theory approach to predict, simulate and streamline plant operation, conserve fuel and resources, and increase workplace safety in the manufacturing, chemical, petrochemical, petroleum, biochemical and energy industries. Topics of discussion include system theory and chemical/biochemical engineering systems, steady state, unsteady state, and thermodynamic equilibrium, modeling of systems, fundamental laws governing the processes in terms of the state variables, different classifications of physical models, the story of chemical engineering in

• Author : R.W. Carr
• Publisher : Elsevier Science
• Release : 01 November 2007

Modeling of Chemical Reactions covers detailed chemical kinetics models for chemical reactions. Including a comprehensive treatment of pressure dependent reactions, which are frequently not incorporated into detailed chemical kinetic models, and the use of modern computational quantum chemistry, which has recently become an extraordinarily useful component of the reaction kinetics toolkit. It is intended both for those who need to model complex chemical reaction processes but have little background in the area, and those who are already have experience and

• Author : Jürgen Warnatz,Willi Jäger
• Publisher : Springer
• Release : 19 January 2012

Chemical reaction systems of practical interest are usually very complex: They consist of a large number of elementary reactions (hundreds or thou sands in a small system), mostly with rate coefficients differing by many orders of magnitude, which leads to serious stiffness, and they are often coupled with surface reaction steps and convective or diffusive processes. Thus, the derivation of a "true" chemical mechanism can be extremely cumbersome. In most cases this is done by setting up "reaction models" which

• Author : Anonim
• Publisher : Academic Press
• Release : 16 February 2016

Mesoscale Modeling in Chemical Engineering, a volume in the Advances in Chemical Engineering series provides the reader with personal views of authorities in the field. Subjects covered are not limited to the classical chemical engineering disciplines, with contributions connecting chemical engineering to related scientific fields, thus providing new ideas for additional thought. The book balances well developed areas such as process industry, transformation of materials, energy, and environmental issues with areas where applications of chemical engineering are more recent or

• Author : Norwegian Institute of Technology. Division of Thermodynamics
• Publisher : Unknown
• Release : 15 June 1989

• Author : Jorge Ancheyta
• Publisher : John Wiley & Sons
• Release : 07 August 2017

A practical approach to chemical reaction kinetics—from basic concepts to laboratory methods—featuring numerous real-world examples and case studies This book focuses on fundamental aspects of reaction kinetics with an emphasis on mathematical methods for analyzing experimental data and interpreting results. It describes basic concepts of reaction kinetics, parameters for measuring the progress of chemical reactions, variables that affect reaction rates, and ideal reactor performance. Mathematical methods for determining reaction kinetic parameters are described in detail with the help

• Author : Denis Constales,Gregory S. Yablonsky,Dagmar R. D'hooge,Joris W. Thybaut,Guy B. Marin
• Publisher : Elsevier
• Release : 23 August 2016

Advanced Data Analysis and Modeling in Chemical Engineering provides the mathematical foundations of different areas of chemical engineering and describes typical applications. The book presents the key areas of chemical engineering, their mathematical foundations, and corresponding modeling techniques. Modern industrial production is based on solid scientific methods, many of which are part of chemical engineering. To produce new substances or materials, engineers must devise special reactors and procedures, while also observing stringent safety requirements and striving to optimize the efficiency

• Author : Philippe G. Ciarlet
• Publisher : Elsevier
• Release : 07 December 2010

Essential Computational Modeling in Chemistry presents key contributions selected from the volume in the Handbook of Numerical Analysis: Computational Modeling in Chemistry Vol. 10(2005). Computational Modeling is an active field of scientific computing at the crossroads between Physics, Chemistry, Applied Mathematics and Computer Science. Sophisticated mathematical models are increasingly complex and extensive computer simulations are on the rise. Numerical Analysis and scientific software have emerged as essential steps for validating mathematical models and simulations based on these models. This guide provides

• Author : Nils I. Lilleheie
• Publisher : Unknown
• Release : 15 June 1989

"The report discuss the various aspects of the modeling of natural gas combustion in technical environment, with special emphasis on pollutant formation"--Summary.

• Author : R.W. Carr
• Publisher : Elsevier Science
• Release : 15 June 2021

Modeling of Chemical Reactions covers detailed chemical kinetics models for chemical reactions. Including a comprehensive treatment of pressure dependent reactions, which are frequently not incorporated into detailed chemical kinetic models, and the use of modern computational quantum chemistry, which has recently become an extraordinarily useful component of the reaction kinetics toolkit. It is intended both for those who need to model complex chemical reaction processes but have little background in the area, and those who are already have experience and

• Author : Stanley M. Walas
• Publisher : Boston : Butterworth-Heinemann
• Release : 15 June 1991

'Modelling with Differential Equations in Chemical Engineering' covers the modelling of rate processes of engineering in terms of differential equations. While it includes the purely mathematical aspects of the solution of differential equations, the main emphasis is on the derivation and solution of major equations of engineering and applied science. Methods of solving differential equations by analytical and numerical means are presented in detail with many solved examples, and problems for solution by the reader. Emphasis is placed on numerical