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.

part I|96 pages


chapter 21|4 pages

What to Expect in This Book?

chapter 2|48 pages

Calculus and Linear Algebra Essentials

chapter 3|42 pages

Probability Essentials

part II|30 pages

Numerics and Error Propagation

chapter 984|16 pages

Introduction to Numerical Methods

chapter 5|12 pages

Laws on Propagation of Error

part III|156 pages

Various Types of Models and Their Estimation

chapter 1286|52 pages

Measurement Models for a Chemical Quantity

chapter 7|28 pages

Linear Models

chapter 8|36 pages

Non-linear Models

chapter 9|20 pages

Chemodynamics and Stoichiometry

chapter 10|18 pages

Multivariate Exploration

part IV|68 pages

Analysis of Designed Experiments

chapter 28411|42 pages

Analysis of Data from Designed Experiments

chapter 12|24 pages

Robust Analysis of Models