Publisher's Synopsis
Chemical engineers use mathematical and numerical tools to predict molecular properties and interactions as a foundation for novel product design and manufacture. The modeling and simulation techniques allow for analysis of systems ranging from the molecular scale to the industrial scale. The essence of engineering modeling is to capture the fundamental aspects of the problem which the model is intended to describe and to understand what the model's limitations as a result of the simplifications are. Engineering models are therefore not judged by whether they are "true" or "false", but by how well they are suitable to describe the situation in question. It may therefore often be possible to devise several different models of the same physical reality and one can choose among these depending on the desired model accuracy and on their ease of analysis. Mathematical models are of great importance in chemical engineering because they can provide information about the variations in the measurable macroscopic properties of a physical system using output from microscopic equations which cannot usually be measured in a laboratory. On the other hand, mathematical models can lead to wrong conclusions or decisions about the system under investigation if they are not validated with experimental tests. Therefore, a complete study of a physical system should integrate modeling, simulation and experimental work. This 1st volume of Encyclopaedia of Chemical Engineering Process Simulation 'Chemical Engineering: Modeling, Simulation and Similitude' covers innovative methods and techniques in the broad fields of product and process modeling and their use for simulation and optimization. Models underlying the use of similarity considerations, dimension- less numbers, and dimensional analysis in chemical engineering are discussed. It focuses on formulating and resolving mathematical and phenomenological models inspired by real-world applications in chemical products and processes. It depicts on molecular dynamic simulations of polymers and biomolecules, nanomaterial rheology, nanoscale strengthening of polymer nanocomposites, industrial process simulation, mass transfer and fluid mechanics modeling in aqueous and biological systems, and thermodynamic models of mixtures, including electrolyte solutions. It also aims to fostering the development of theoretical methods and computational procedures with wide applicability. The aim of this volume is to give the reader insight and skill in the formulation, construction, simplification, evaluation/interpretation, and use of mathematical models in chemical engineering.
