Mathematics for Enzyme Reaction Kinetics and Reactor Performance

Mathematics for Enzyme Reaction Kinetics and Reactor Performance
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Описание книги

Mathematics for Enzyme Reaction Kinetics and Reactor Performance is the first set in a unique 11 volume-collection on Enzyme Reactor Engineering . This two volume-set relates specifically to the wide mathematical background required for systematic and rational simulation of both reaction kinetics and reactor performance; and to fully understand and capitalize on the modelling concepts developed. It accordingly reviews basic and useful concepts of Algebra (first volume), and Calculus and Statistics (second volume). A brief overview of such native algebraic entities as scalars, vectors, matrices and determinants constitutes the starting point of the first volume; the major features of germane functions are then addressed. Vector operations ensue, followed by calculation of determinants. Finally, exact methods for solution of selected algebraic equations – including sets of linear equations, are considered, as well as numerical methods for utilization at large. The second volume begins with an introduction to basic concepts in calculus, i.e. limits, derivatives, integrals and differential equations; limits, along with continuity, are further expanded afterwards, covering uni- and multivariate cases, as well as classical theorems. After recovering the concept of differential and applying it to generate (regular and partial) derivatives, the most important rules of differentiation of functions, in explicit, implicit and parametric form, are retrieved – together with the nuclear theorems supporting simpler manipulation thereof. The book then tackles strategies to optimize uni- and multivariate functions, before addressing integrals in both indefinite and definite forms. Next, the book touches on the methods of solution of differential equations for practical applications, followed by analytical geometry and vector calculus. Brief coverage of statistics–including continuous probability functions, statistical descriptors and statistical hypothesis testing, brings the second volume to a close.

Оглавление

F. Xavier Malcata. Mathematics for Enzyme Reaction Kinetics and Reactor Performance

Table of Contents

List of Tables

List of Illustrations

Guide

Pages

Enzyme Reactor Engineering: Forthcoming Titles

Mathematics for Enzyme Reaction Kinetics and Reactor Performance

About the Author

Series Preface

Preface

1 Basic Concepts of Algebra

1 Scalars, Vectors, Matrices, and Determinants

2 Function Features

2.1 Series

2.1.1 Arithmetic Series

2.1.2 Geometric Series

2.1.3 Arithmetic/Geometric Series

2.2 Multiplication and Division of Polynomials

2.2.1 Product

2.2.2 Quotient

2.2.3 Factorization

2.2.4 Splitting

2.2.5 Power

2.3 Trigonometric Functions

2.3.1 Definition and Major Features

2.3.2 Angle Transformation Formulae

2.3.3 Fundamental Theorem of Trigonometry

2.3.4 Inverse Functions

2.4 Hyperbolic Functions

2.4.1 Definition and Major Features

2.4.2 Argument Transformation Formulae

2.4.3 Euler’s Form of Complex Numbers

2.4.4 Inverse Functions

3 Vector Operations

3.1 Addition of Vectors

3.2 Multiplication of Scalar by Vector

3.3 Scalar Multiplication of Vectors

3.4 Vector Multiplication of Vectors

4 Matrix Operations

4.1 Addition of Matrices

4.2 Multiplication of Scalar by Matrix

4.3 Multiplication of Matrices

4.4 Transposal of Matrices

4.5 Inversion of Matrices

4.5.1 Full Matrix

4.5.2 Block Matrix

4.6 Combined Features

4.6.1 Symmetric Matrix

4.6.2 Positive Semidefinite Matrix

5 Tensor Operations

6 Determinants

6.1 Definition

6.2 Calculation

6.2.1 Laplace’s Theorem

6.2.2 Major Features

6.2.3 Tridiagonal Matrix

6.2.4 Block Matrix

6.2.5 Matrix Inversion

6.3 Eigenvalues and Eigenvectors

6.3.1 Characteristic Polynomial

6.3.2 Cayley and Hamilton's Theorem

7 Solution of Algebraic Equations

7.1 Linear Systems of Equations

7.1.1 Jacobi’s Method

7.1.2 Explicitation

7.1.3 Cramer’s Rule

7.1.4 Matrix Inversion

7.2 Quadratic Equation

7.3 Lambert’s W Function

7.4 Numerical Approaches

7.4.1 Double‐initial Estimate Methods

7.4.1.1 Bisection

7.4.1.2 Linear Interpolation

7.4.2 Single‐initial Estimate Methods

7.4.2.1 Newton and Raphson’s Method

7.4.2.2 Direct Iteration

Further Reading

Enzyme Reactor Engineering: Forthcoming Titles

Mathematics for Enzyme Reaction Kinetics and Reactor Performance

About the Author

Series Preface

Preface

2 Basic Concepts of Calculus

8 Limits, Derivatives, Integrals, and Differential Equations

9 Limits and Continuity

9.1 Univariate Limit. 9.1.1 Definition

9.1.2 Basic Calculation

9.2 Multivariate Limit

9.3 Basic Theorems on Limits

9.4 Definition of Continuity

9.5 Basic Theorems on Continuity

9.5.1 Bolzano’s Theorem

9.5.2 Weierstrass’ Theorem

10 Differentials, Derivatives, and Partial Derivatives

10.1 Differential

10.2 Derivative. 10.2.1 Definition

10.2.1.1 Total Derivative

10.2.1.2 Partial Derivatives

10.2.1.3 Directional Derivatives

10.2.2 Rules of Differentiation of Univariate Functions

10.2.3 Rules of Differentiation of Multivariate Functions

10.2.4 Implicit Differentiation

10.2.5 Parametric Differentiation

10.2.6 Basic Theorems of Differential Calculus. 10.2.6.1 Rolle’s Theorem

10.2.6.2 Lagrange’s Theorem

10.2.6.3 Cauchy’s Theorem

10.2.6.4 L’Hôpital’s Rule

10.2.7 Derivative of Matrix

10.2.8 Derivative of Determinant

10.3 Dependence Between Functions

10.4 Optimization of Univariate Continuous Functions

10.4.1 Constraint‐free

10.4.2 Subjected to Constraints

10.5 Optimization of Multivariate Continuous Functions. 10.5.1 Constraint‐free

10.5.2 Subjected to Constraints

11 Integrals

11.1 Univariate Integral. 11.1.1 Indefinite Integral. 11.1.1.1 Definition

11.1.1.2 Rules of Integration

11.1.2 Definite Integral. 11.1.2.1 Definition

11.1.2.2 Basic Theorems of Integral Calculus. 11.1.2.2.1 Mean Value Theorem for Integrals

11.1.2.2.2 First Fundamental Theorem of Integral Calculus

11.1.2.2.3 Second Fundamental Theorem of Integral Calculus

11.1.2.3 Reduction Formulae

11.2 Multivariate Integral. 11.2.1 Definition. 11.2.1.1 Line Integral

11.2.1.2 Double Integral

11.2.2 Basic Theorems. 11.2.2.1 Fubini’s Theorem

11.2.2.2 Green’s Theorem

11.2.3 Change of Variables

11.2.4 Differentiation of Integral

11.3 Optimization of Single Integral

11.4 Optimization of Set of Derivatives

12 Infinite Series and Integrals

12.1 Definition and Criteria of Convergence

12.1.1 Comparison Test

12.1.2 Ratio Test

12.1.3 D’Alembert’s Test

12.1.4 Cauchy’s Integral Test

12.1.5 Leibnitz’s Test

12.2 Taylor’s Series

12.2.1 Analytical Functions. 12.2.1.1 Exponential Function

12.2.1.2 Hyperbolic Functions

12.2.1.3 Logarithmic Function

12.2.1.4 Trigonometric Functions

12.2.1.5 Inverse Trigonometric Functions

12.2.1.6 Powers of Binomials

12.2.2 Euler’s Infinite Product

12.3 Gamma Function and Factorial

12.3.1 Integral Definition and Major Features

12.3.2 Euler’s Definition

12.3.3 Stirling’s Approximation

13 Analytical Geometry

13.1 Straight Line

13.2 Simple Polygons

13.3 Conical Curves

13.4 Length of Line

13.5 Curvature of Line

13.6 Area of Plane Surface

13.7 Outer Area of Revolution Solid

13.8 Volume of Revolution Solid

14 Transforms

14.1 Laplace’s Transform. 14.1.1 Definition

14.1.2 Major Features

14.1.3 Inversion

14.2 Legendre’s Transform

15 Solution of Differential Equations

15.1 Ordinary Differential Equations

15.1.1 First Order

15.1.1.1 Nonlinear

15.1.1.2 Linear

15.1.2 Second Order

15.1.2.1 Nonlinear. 15.1.2.1.1 Dependent Variable‐free

15.1.2.1.2 Independent Variable‐free

15.1.2.1.3 Hartman and Grobman’s Theorem

15.1.2.2 Linear

15.1.2.2.1 Frobenius’ Method of Solution

15.1.2.2.2 Bessel’s Equation

15.1.2.2.3 MacLaurin’s Method of Solution

15.1.2.2.4 Independent Solutions

15.1.3 Linear Higher Order

15.2 Partial Differential Equations

16 Vector Calculus

16.1 Rectangular Coordinates. 16.1.1 Definition and Representation

16.1.2 Definition of Nabla Operator, ∇

16.1.3 Algebraic Properties of ∇

16.1.4 Multiple Products Involving ∇ 16.1.4.1 Calculation of (∇ ⋅ ∇)ϕ

16.1.4.2 Calculation of (∇⋅∇)u

16.1.4.3 Calculation of ∇⋅(ϕu)

16.1.4.4 Calculation of ∇⋅(∇ × u)

16.1.4.5 Calculation of ∇⋅(ϕ∇ψ)

16.1.4.6 Calculation of ∇⋅(uu)

16.1.4.7 Calculation of ∇ × (∇ ϕ)

16.1.4.8 Calculation of ∇(∇⋅u)

16.1.4.9 Calculation of (u⋅∇)u

16.1.4.10 Calculation of ∇⋅(τ⋅u)

16.2 Cylindrical Coordinates. 16.2.1 Definition and Representation

16.2.2 Redefinition of Nabla Operator, ∇

16.3 Spherical Coordinates. 16.3.1 Definition and Representation

16.3.2 Redefinition of Nabla Operator, ∇

16.4 Curvature of Three‐dimensional Surfaces

16.5 Three‐dimensional Integration

17 Numerical Approaches to Integration

17.1 Calculation of Definite Integrals

17.1.1 Zeroth Order Interpolation

17.1.2 First‐ and Second‐Order Interpolation

17.1.2.1 Trapezoidal Rule

17.1.2.2 Simpson’s Rule

17.1.2.3 Higher Order Interpolation

17.1.3 Composite Methods

17.1.4 Infinite and Multidimensional Integrals

17.2 Integration of Differential Equations

17.2.1 Single‐step Methods

17.2.2 Multistep Methods

17.2.3 Multistage Methods

17.2.3.1 First Order

17.2.3.2 Second Order

17.2.3.3 General Order

17.2.4 Integral Versus Differential Equation

3 Basic Concepts of Statistics

18. Continuous Probability Functions

18.1 Basic Statistical Descriptors

18.2 Normal Distribution

18.2.1 Derivation

18.2.2 Justification

18.2.3 Operational Features

18.2.4 Moment‐generating Function. 18.2.4.1 Single Variable

18.2.4.2 Multiple Variables

18.2.5 Standard Probability Density Function

18.2.6 Central Limit Theorem

18.2.7 Standard Probability Cumulative Function

18.3 Other Relevant Distributions

18.3.1 Lognormal Distribution. 18.3.1.1 Probability Density Function

18.3.1.2 Mean and Variance

18.3.1.3 Probability Cumulative Function

18.3.1.4 Mode and Median

18.3.2 Chi‐square Distribution. 18.3.2.1 Probability Density Function

18.3.2.2 Mean and Variance

18.3.2.3 Asymptotic Behavior

18.3.2.4 Probability Cumulative Function

18.3.2.5 Mode and Median

18.3.2.6 Other Features

18.3.3 Student’s t‐distribution. 18.3.3.1 Probability Density Function

18.3.3.2 Mean and Variance

18.3.3.3 Asymptotic Behavior

18.3.3.4 Probability Cumulative Function

18.3.3.5 Mode and Median

18.3.4 Fisher’s F‐distribution. 18.3.4.1 Probability Density Function

18.3.4.2 Mean and Variance

18.3.4.3 Asymptotic Behavior

18.3.4.4 Probability Cumulative Function

18.3.4.5 Mode and Median

18.3.4.6 Other Features

19 Statistical Hypothesis Testing

20 Linear Regression

20.1 Parameter Fitting

20.2 Residual Characterization

20.3 Parameter Inference. 20.3.1 Multivariate Models

20.3.2 Univariate Models

20.4 Unbiased Estimation. 20.4.1 Multivariate Models

20.4.2 Univariate Models

20.5 Prediction Inference

20.6 Multivariate Correction

Further Reading

Index. a

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ANALYSIS OF ENZYME REACTOR PERFORMANCE

.....

in general – as plotted in Fig. 2.10c. Note that tangent is still a periodic function, but of smaller period, π rad, according to

(2.300)

.....

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