Osenbroch Lene Kristin Hjertager. Experimental and Computational Study of Mixing and Fast Chemical Reactions in Turbulent Liquid Flows

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...

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...

Science. Vol 281. 31 jUly 1998. Most chaotic mixing experiments have been restricted to two-dimensional, time-periodic ?ows, and this has shaped advances in theory as well. A prototypical, bounded, three-dimensional ?ow with a moderate Reynolds number is presented; this system lends itself to detailed experimental observation and allows for high-precision computational inspection. The ?ow structure, captured by means of cuts with a laser sheet (...

2nd ed. , 2007. - 620 p. Introduction to Computational Chemistry Frank Jensen Odense University, Denmark Computational chemistry is a rapidly emerging and developing area, combining theoretical models with computers to investigate a variety of chemical phenomena. Increasingly applied throughout chemistry, computational methods are becoming an integral part of modern chemical research. Introduction to Computational Chemistry provides a comprehensi...

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...

Handbook of Industrial Mixing, Fluent Inc. Lebanon, New Hampshire, USA. Mixing processes can be based on a number of mechanisms, from agitation to sparging to static flow manipulation. Agitation in a stirred tank is one of the most common operations, yet presents one of the greatest challenges in the area of computer simulation. Stirred tanks typically contain an impeller mounted on a shaft, and optionally can contain baffles and other internals...

Springer, 2005. - 364 рages. Liquid crystals, polymers and polymer liquid crystals are soft condensed matter systems of major technological and scientific interest. An understanding of the macroscopic properties of these complex systems and of their many and interesting peculiarities at the molecular level can nowadays only be attained using computer simulations and statistical mechanical theories. Both in the Liquid Crystal and Polymer fields a...

Wiley-AIChE, 2008. - 268 pages Learn to apply modeling and parameter estimation tools and strategies to chemicalprocesses using your personal computer This book introduces readers to powerful parameter estimation and computational methods for modeling complex chemical reactions and reaction processes. It presents useful mathematical models, numerical methods for solving them, and statistical methods for testing and discriminating candidate mod...

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...