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Author: Wim P. Krijnen Publisher: CRC Press ISBN: 1000822605 Category : Science Languages : en Pages : 399
Book Description
In the recent decades, the emerging new molecular measurement techniques and their subsequent availability in chemical database has allowed easier retrieval of the associated data by the chemical analyst. Before the data revolution, most books focused either on mathematical modeling of chemical processes or exploratory chemometrics. Computational and Statistical Methods for Chemical Engineering aims to combine these two approaches and provide aspiring chemical engineers a single, comprehensive account of computational and statistical methods. The book consists of four parts: Part I discusses the necessary calculus, linear algebra, and probability background that the student may or may not have encountered before. Part II provides an overview on standard computational methods and approximation techniques useful for chemical engineering systems. Part III covers the most important statistical models, starting from simple measurement models, via linear models all the way to multivariate, non-linear stochiometric models. Part IV focuses on the importance of designed experiments and robust analyses. Each chapter is accompanied by an extensive selection of theoretical and practical exercises. The book can be used in combination with any modern computational environment, such as R, Python and MATLAB. Given its easy and free availability, the book includes a bonus chapter giving a simple introduction to R programming. This book is particularly suited for undergraduate students in Chemical Engineering who require a semester course in computational and statistical methods. The background chapters on calculus, linear algebra and probability make the book entirely self-contained. The book takes its examples from the field of chemistry and chemical engineering. In this way, it motivates the student to engage actively with the material and to master the techniques that have become crucial for the modern chemical engineer.
Author: Wim P. Krijnen Publisher: CRC Press ISBN: 1000822605 Category : Science Languages : en Pages : 399
Book Description
In the recent decades, the emerging new molecular measurement techniques and their subsequent availability in chemical database has allowed easier retrieval of the associated data by the chemical analyst. Before the data revolution, most books focused either on mathematical modeling of chemical processes or exploratory chemometrics. Computational and Statistical Methods for Chemical Engineering aims to combine these two approaches and provide aspiring chemical engineers a single, comprehensive account of computational and statistical methods. The book consists of four parts: Part I discusses the necessary calculus, linear algebra, and probability background that the student may or may not have encountered before. Part II provides an overview on standard computational methods and approximation techniques useful for chemical engineering systems. Part III covers the most important statistical models, starting from simple measurement models, via linear models all the way to multivariate, non-linear stochiometric models. Part IV focuses on the importance of designed experiments and robust analyses. Each chapter is accompanied by an extensive selection of theoretical and practical exercises. The book can be used in combination with any modern computational environment, such as R, Python and MATLAB. Given its easy and free availability, the book includes a bonus chapter giving a simple introduction to R programming. This book is particularly suited for undergraduate students in Chemical Engineering who require a semester course in computational and statistical methods. The background chapters on calculus, linear algebra and probability make the book entirely self-contained. The book takes its examples from the field of chemistry and chemical engineering. In this way, it motivates the student to engage actively with the material and to master the techniques that have become crucial for the modern chemical engineer.
Author: Wim P. Krijnen Publisher: C&h CRC Press ISBN: 9781032013268 Category : Chemical engineering Languages : en Pages : 0
Book Description
"In the recent decades, the emerging new molecular measurement techniques and their subsequent availability in chemical database has allowed easier retrieval of the associated data by the chemical analyst. Before the data revolution, most books focused either on mathematical modeling of chemical processes or exploratory chemometrics. Computational and Statistical Methods for Chemical Engineering aims to combine these two approaches and provide aspiring chemical engineers a single, comprehensive account of computational and statistical methods. The book consists of four parts: Part I discusses the necessary calculus, linear algebra, and probability background that the student may or may not have encountered before. Part II provides an overview on standard computational methods and approximation techniques useful for chemical engineering systems. Part III covers the most important statistical models, starting from simple measurement models, via linear models all the way to multivariate, non-linear stochiometric models. Part IV focuses on the importance of designed experiments and robust analyses. Each chapter is accompanied by an extensive selection of theoretical and practical exercises. The book can be used in combination with any modern computational environment, such as R, Python and MATLAB. Given its easy and free availability, the book includes a bonus chapter giving a simple introduction to R programming. This book is particularly suited for undergraduate students in Chemical Engineering who require a semester course in computational and statistical methods. The background chapters on calculus, linear algebra and probability make the book entirely self-contained. The book takes its examples from the field of chemistry and chemical engineering. In this way, it motivates the student to engage actively with the material and to master the techniques that have become crucial for the modern chemical engineer"--
Author: Mark Christopher Molaro Publisher: ISBN: Category : Languages : en Pages : 182
Book Description
Recent advances in theory and practice, have introduced a wide variety of tools from machine learning that can be applied to data intensive chemical engineering problems. This thesis covers applications of statistical learning spanning a range of relative importance of data versus existing detailed theory. In each application, the quantity and quality of data available from experimental systems are used in conjunction with an understanding of the theoretical physical laws governing system behavior to the extent they are available. A detailed generative parametric model for optical spectra of multicomponent mixtures is introduced. The application of interest is the quantification of uncertainty associated with estimating the relative abundance of mixtures of carbon nanotubes in solution. This work describes a detailed analysis of sources of uncertainty in estimation of relative abundance of chemical species in solution from optical spectroscopy. In particular, the quantification of uncertainty in mixtures with parametric uncertainty in pure component spectra is addressed. Markov Chain Monte Carlo methods are utilized to quantify uncertainty in these situations and the inaccuracy and potential for error in simpler methods is demonstrated. Strategies to improve estimation accuracy and reduce uncertainty in practical experimental situations are developed including when multiple measurements are available and with sequential data. The utilization of computational Bayesian inference in chemometric problems shows great promise in a wide variety of practical experimental applications. A related deconvolution problem is addressed in which a detailed physical model is not available, but the objective of analysis is to map from a measured vector valued signal to a sum of an unknown number of discrete contributions. The data analyzed in this application is electrical signals generated from a free surface electro-spinning apparatus. In this information poor system, MAP estimation is used to reduce the variance in estimates of the physical parameters of interest. The formulation of the estimation problem in a probabilistic context allows for the introduction of prior knowledge to compensate for a high dimensional ill-conditioned inverse problem. The estimates from this work are used to develop a productivity model expanding on previous work and showing how the uncertainty from estimation impacts system understanding. A new machine learning based method for monitoring for anomalous behavior in production oil wells is reported. The method entails a transformation of the available time series of measurements into a high-dimensional feature space representation. This transformation yields results which can be treated as static independent measurements. A new method for feature selection in one-class classification problems is developed based on approximate knowledge of the state of the system. An extension of features space transformation methods on time series data is introduced to handle multivariate data in large computationally burdensome domains by using sparse feature extraction methods. As a whole these projects demonstrate the application of modern statistical modeling methods, to achieve superior results in data driven chemical engineering challenges.
Author: Ghosh, Pallab Publisher: PHI Learning Pvt. Ltd. ISBN: 9387472523 Category : Languages : en Pages : 416
Book Description
Numerical, analytical and statistical computations are routine affairs for chemical engineers. They usually prefer a single software to solve their computational problems, and at present, MATLAB has emerged as a powerful computational language, which is preferably used for this purpose, due to its built-in functions and toolboxes. Considering the needs and convenience of the students, the author has made an attempt to write this book, which explains the various concepts of MATLAB in a systematic way and makes its readers proficient in using MATLAB for computing. It mainly focuses on the applications of MATLAB, rather than its use in programming basic numerical algorithms. Commencing with the introduction to MATLAB, the text covers vector and matrix computations, solution of linear and non-linear equations, differentiation and integration, and solution of ordinary and partial differential equations. Next, analytical computations using the Symbolic Math Toolbox and statistical computations using the Statistics and Machine Learning Toolbox are explained. Finally, the book describes various curve fitting techniques using the Curve Fitting Toolbox. Inclusion of all these advanced-level topics in the book stands it out from the rest. KEY FEATURES Numerous worked-out examples to enable the readers understand the steps involved in solving the chemical engineering problems MATLAB codes to explain the computational techniques Several snapshots to help the readers understand the step-by-step procedures of using the toolboxes Chapter-end exercises, including short-answer questions and numerical problems Appendix comprising the definitions of some important and special matrices Supplemented with Solutions Manual containing complete detailed solutions to the unsolved analytical problems Accessibility of selected colour figures (including screenshots and results/outputs of the programs) cited in the text at www.phindia.com/Pallab_Ghosh. TARGET AUDIENCE • BE/B.Tech (Chemical Engineering) • ME/M.Tech (Chemical Engineering)
Author: Ralph E. White Publisher: Springer Science & Business Media ISBN: 3642043119 Category : Science Languages : en Pages : 871
Book Description
This book presents Maple solutions to a wide range of problems relevant to chemical engineers and others. Many of these solutions use Maple’s symbolic capability to help bridge the gap between analytical and numerical solutions. The readers are strongly encouraged to refer to the references included in the book for a better understanding of the physics involved, and for the mathematical analysis. This book was written for a senior undergraduate or a first year graduate student course in chemical engineering. Most of the examples in this book were done in Maple 10. However, the codes should run in the most recent version of Maple. We strongly encourage the readers to use the classic worksheet (*. mws) option in Maple as we believe it is more user-friendly and robust. In chapter one you will find an introduction to Maple which includes simple basics as a convenience for the reader such as plotting, solving linear and nonlinear equations, Laplace transformations, matrix operations, ‘do loop,’ and ‘while loop. ’ Chapter two presents linear ordinary differential equations in section 1 to include homogeneous and nonhomogeneous ODEs, solving systems of ODEs using the matrix exponential and Laplace transform method. In section two of chapter two, nonlinear ordinary differential equations are presented and include simultaneous series reactions, solving nonlinear ODEs with Maple’s ‘dsolve’ command, stop conditions, differential algebraic equations, and steady state solutions. Chapter three addresses boundary value problems.
Author: Owen T. Hanna Publisher: Prentice Hall ISBN: Category : Mathematics Languages : en Pages : 488
Book Description
Authors Owen Hanna and Orville Sandall include broad use of convergence acceleration techniques such as Pade approximation for series; Shanks transformation for series; linear and nonlinear systems of algebraic equations; systematic use of global Richardson extrapolation for integrals and ODE systems to monitor the overall error; and discussion of methods for the solution of stiff ODE.
Author: Siegmund Brandt Publisher: Springer Science & Business Media ISBN: 3319037625 Category : Science Languages : en Pages : 532
Book Description
The fourth edition of this successful textbook presents a comprehensive introduction to statistical and numerical methods for the evaluation of empirical and experimental data. Equal weight is given to statistical theory and practical problems. The concise mathematical treatment of the subject matter is illustrated by many examples and for the present edition a library of Java programs has been developed. It comprises methods of numerical data analysis and graphical representation as well as many example programs and solutions to programming problems. The book is conceived both as an introduction and as a work of reference. In particular it addresses itself to students, scientists and practitioners in science and engineering as a help in the analysis of their data in laboratory courses, in working for bachelor or master degrees, in thesis work, and in research and professional work.
Author: Denis Constales Publisher: Elsevier ISBN: 0444594841 Category : Technology & Engineering Languages : en Pages : 416
Book Description
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 jointly in economic and ecological terms. In chemical engineering, mathematical methods are considered to be driving forces of many innovations in material design and process development. Presents the main mathematical problems and models of chemical engineering and provides the reader with contemporary methods and tools to solve them Summarizes in a clear and straightforward way, the contemporary trends in the interaction between mathematics and chemical engineering vital to chemical engineers in their daily work Includes classical analytical methods, computational methods, and methods of symbolic computation Covers the latest cutting edge computational methods, like symbolic computational methods
Author: Wim P. Krijnen
Author: Wim P. Krijnen
Author: Wim P. Krijnen
Author: Mark Christopher Molaro
Author: Ghosh, Pallab
Author: Ralph E. White
Author: Owen T. Hanna
Author: Alexander William Abboud
Author: Pallab Ghosh
Author: Siegmund Brandt
Author: Denis Constales