The purpose of this book is to offer readers important topics on the modeling, simulation, and optimization of distillation processes. The book is divided into four main sections: the first section is introduction to the topic, the second presents work related to distillation process modeling, the third deals with the modeling of phase equilibrium, one of the most important steps of distillation process modeling, and the the fourth looks at the reactive distillation process, a process that has been applied successfully to a number of applications and has been revealed as a promising strategy for a number of recent challenges.