A Numerical Primer for the Chemical Engineer, Second Edition

ISBN-13: 9781032090221 / Angielski / Miękka / 2021 / 208 str.

Edwin Zondervan

Opis

This book applies actual numerical solution strategies to formulated process models to help identify and solve chemical engineering problems. Second edition comes with chapter on numerical integration and sections on boundary value problems, general modelling principles, mass/energy balances and separate section on DAE’s.

Spis treści

1 The role of models in chemical engineering1.1 Introduction1.2 The idea of a model1.4 Model analysis1.5 Model solution strategies1.6 Summary1.7 Exercises2 Errors in computer simulations2.1 Introduction2.2 Significant digits2.3 Round-off and truncation errors2.4 Break errors2.5 Loss of digits2.6 Ill-conditioned problems2.7 (Un-)stable methods2.8 Summary2.9 Exercises3 Linear equations3.1 Introduction3.2 MATLAB3.3 Linear systems3.4 The inverse of a matrix3.5 The determinant of a matrix3.6 Useful properties3.7 Matrix ranking3.8 Eigenvalues and eigenvectors3.9 Spectral decomposition3.10 Summary3.11 Exercises4 Elimination methods4.1 Introduction4.2 MATLAB4.3 Gaussian elimination4.4 LU factorization4.5 Summary4.6 Exercises5 Iterative methods5.1 Introduction5.2 Laplace’s equation5.3 LU factorization5.5 The Jacobi method5.6 Example for the Jacobi method5.7 Summary5.8 Exercises6 Nonlinear equations6.1 Introduction6.2 Newton method 1D6.3 Newton method 2D6.4 Reduced Newton step method6.5 Quasi-Newton method6.6 Summary6.7 Exercises7 Ordinary differential equations7.1 Introduction7.2 Euler’s method7.3 Accuracy and stability of Euler’s method7.4 The implicit Euler method7.5 Stability of the implicit Euler method7.6 Systems of ODEs7.7 Stability of ODE systems7.8 Stiffness of ODE systems7.9 Higher-order methods7.10 Summary7.11 Exercises8 Numerical integration8.1 Introduction8.2 Euler’s method8.3 The trapezoid method8.4 Simpson’s method8.5 Estimation of errors using numerical integration8.6 The Richardson correction8.7 Summary8.8 Exercises9 Partial differential equations 9.1 Introduction9.2 Transport PDEs9.3 Finite volumes9.4 Discretizing the control volumes9.5 Transfer of heat to fluid in a pipe9.6 Simulation of the heat PDE9.7 Summary9.8 Exercises10 Data regression and curve fitting10.1 Introduction10.2 The least squares method 10.3 Residual analysis10.4 ANOVA analysis10.5 Confidence limits10.6 Summary10.7 Exercises11 Optimization11.1 Introduction11.2 Linear programming11.3 Nonlinear programming11.4 Integer programming11.5 Summary11.6 Exercises12 Basics of MATLAB12.1 Introduction12.2 The MATLAB user interface12.3 The array structure12.4 Basic calculations12.5 Plotting12.6 Reading and writing data12.7 Functions and m-files12.8 Repetitive operations13 Numerical methods in Excel13.1 Introduction13.2 Basic functions in Excel13.3 The Excel solver13.4 Solving nonlinear equations in Excel13.5 Differentiation in Excel13.6 Curve fitting in Excel14 Case studies 14.1 Introduction14.2 Modeling a separation system14.3 Modeling a chemical reactor system14.4 PVT behavior of pure substances14.5 Dynamic modeling of a distillation column14.6 Dynamic modeling of an extraction cascade (ODEs)14.7 Distributed parameter models for a tubular reactor14.8 Modeling of an extraction column14.9 Fitting of kinetic data14.10 Fitting of NRTL model parameters14.11 Optimizing a crude oil refinery14.12 Planning in a manufacturing line BibliographyIndex

O autorze

Edwin Zondervan was born and raised in Leeuwarden, the Netherlands. After finishing his bachelor with a specialization in process automation in Leeuwarden he continued in Groningen with a M.Sc. in chemical engineering. Then he moved To Enschede and pursued a Ph.D. on modeling, optimization and control of dead-end membrane filtration of surface water. He defended his doctorate at Groningen in 2007. He worked from 2007 to 2015 at Eindhoven University of Technology. He has been working as associate researcher at the laboratories of Technical University of Catalonia, Carnegie Mellon University, Denmark Technical University and Imperial College . Besides research Edwin Zondervan has been very active in the educational gremials where he trained many generations of students in process design, process control and numerical methods. For the latter one Edwin published a textbook that was released in 2014: “A numerical primer for the chemical engineer”. Recently Edwin Zondervan joined the Institute for environmental science and Technology of Bremen University, where he obtained a professorship in “Process Systems Engineering”. The newly established Laboratory of Process Systems Engineering (PSE) at Bremen University (which was established within Bremen’s Excellence Initiative) will conduct research in the field of sustainable and flexible system design of energy networks. The main objective of the laboratory of PSE is to develop network modeling techniques and dynamic optimization tools and to apply them to the design and operation of complex energy/process systems. The PSE group distinguishes two working areas: i) Novel energy technologies and devices and ii) Energy Efficient production. Where the challenges lie in 1) decisionmaking under uncertainty, 2) sustainable design and 3) managing complexity. In addition the PSE group will be active in the development of an Energy Systems Institute at Bremen University and setup a specialized course program in this field.