Abulencia J.P., Theodore L. Fluid Flow for the Practicing Chemical Engineer. Essential Engineering Calculations Series

Academic Press, 1999. - 479 pages. This is Volume 1 of PROCESS SYSTEMS ENGINEERING, A Series edited by George Stephanopoulos and John Perkins Mathematical modeling is the art and craft of building a system of equations that is both sufficiently complex to do justice to physical reality and sufficiently simple to give real insight into the situation. Mathematical Modeling: A Chemical Engineer's Perspective provides an elementary introduction to...

Cambridge University Press, 2006. - 486 pages. Suitable for a first year graduate course, this textbook unites the applications of numerical mathematics and scientific computing to the practice of chemical engineering. Written in a pedagogic style, the book describes basic linear and nonlinear algebraic systems all the way through to stochastic methods, Bayesian statistics and parameter estimation. These subjects are developed at a level of math...

We present the application of orthogonal wavelet filtering to study mixing and chemical reaction in 2D turbulent flows. We show that the coherent vortices are responsible for the mixing dynamics. Therefore, we perform direct numerical simulation of decaying and statistically stationary homogeneous isotropic 2D turbulence. We split the flow in each time step into coherent vortices represented by few wavelet modes and containing most of the kinetic...

Gulf Professional Publishing, Houston, Texas, 2001, Pages: 1095 Selecting the best type of reactor for any particular chemical reaction, taking into consideration safety, hazard analysis, scale-up, and many other factors is essential to any industrial problem. An understanding of chemical reaction kinetics and the design of chemical reactors is key to the success of the of the chemist and the chemical engineer in such an endeavor. This valuable...

Prentice Hall, 1999. - 587 pages. This book emphasizes the derivation of a variety of numerical methods and their application to the solution of engineering problems, with special attention to problems in the chemical engineering field. These algorithms encompass linear and nonlinear algebraic equations, eigenvalue problems, finite difference methods, interpolation, differentiation and integration, ordinary differential equations, boundary-value...

2nd ed. - Gaussian, Inc. Pittsburgh, PA, 1996. – 304 p. This book serves as an introduction to the capabilities of and procedures for this variety of computational chemistry. It is designed to teach you how to use electronic structure modeling to investigate the chemical phenomena of interest to you. This work was developed using the Gaussian series of computational chemistry programs for all of its specific examples and exercises (specifically...

Инженерное оформление химико-технологических процессов. Chemical reaction engineering is concerned with the exploitation of chemical reactions on a commercial scale. It's goal is the successful design and operation of chemical reactors. This text emphasizes qualitative arguments, simple design methods, graphical procedures, and frequent comparison of capabilities of the major reactor types. Simple ideas are treated first, and are then extended to...

World Scientific Publishing Company. 2010. 724p Optimization has played a key role in the design, planning and operation of chemical and related processes, for several decades. Global optimization has been receiving considerable attention in the past two decades. Of the two types of techniques for global optimization, stochastic global optimization is applicable to any type of problems having non-differentiable functions, discrete variables and/o...

BH. 1999. 415 p. Introduction Fundamental concepts of dynamic simulation Thermodynamics and the conservation equations Steady-state incompressible flow Flow through ideal nozzles Steady-state compressible flow Control valve liquid flow Liquid flow through the installed control valve Control valve gas flow Gas flow through the installed control valve Accumulation of liquids and gases in process vessels Two-phase systems: boiling, condensing and di...

This is a manual for one of the widely used powerful Computational Quantum Chemistry package for ab initio calculations. It explains how to prepare input, read output and key words for – HF-SCF; – DFT; – frequency calculations (IR, Raman spectra); – geometry optimization; – RI-DFT [Ridft, Aoforce, Escf] – MP2 [Mpgrad] – RI-MP2 [Rimp2] – stability analysis [Escf] – electronic excitations by CIS, RPA, TD-DFT [Escf] – excited state structures and p...