An overview of computational methods for chemical equilibrium and kinetic calculations for geochemical and reactive transport modeling

AMM Leal, DA Kulik, WR Smith… - Pure and Applied …, 2017 - degruyter.com
We present an overview of novel numerical methods for chemical equilibrium and kinetic
calculations for complex non-ideal multiphase systems. The methods we present for …

[图书][B] Nonlinear programming: concepts, algorithms, and applications to chemical processes

LT Biegler - 2010 - SIAM
Chemical engineering applications have been a source of challenging optimization
problems for over 50 years. For many chemical process systems, detailed steady state and …

On the implementation of an interior-point filter line-search algorithm for large-scale nonlinear programming

A Wächter, LT Biegler - Mathematical programming, 2006 - Springer
We present a primal-dual interior-point algorithm with a filter line-search method for
nonlinear programming. Local and global convergence properties of this method were …

[图书][B] Numerical optimization

J Nocedal, SJ Wright - 1999 - Springer
One of the most effective methods for nonlinearly constrained optimization generates steps
by solving quadratic subproblems. This sequential quadratic programming (SQP) approach …

[PDF][PDF] Numerical optimization

SJ Wright - 2006 - shuyuej.com
This is a book for people interested in solving optimization problems. Because of the wide
(and growing) use of optimization in science, engineering, economics, and industry, it is …

Interior methods for nonlinear optimization

A Forsgren, PE Gill, MH Wright - SIAM review, 2002 - SIAM
Interior methods are an omnipresent, conspicuous feature of the constrained optimization
landscape today, but it was not always so. Primarily in the form of barrier methods, interior …

Line search filter methods for nonlinear programming: Motivation and global convergence

A Wächter, LT Biegler - SIAM Journal on Optimization, 2005 - SIAM
Line search methods are proposed for nonlinear programming using Fletcher and Leyffer's
filter method [Math. Program., 91 (2002), pp. 239--269], which replaces the traditional merit …

On augmented Lagrangian methods with general lower-level constraints

R Andreani, EG Birgin, JM Martínez… - SIAM Journal on …, 2008 - SIAM
Augmented Lagrangian methods with general lower-level constraints are considered in the
present research. These methods are useful when efficient algorithms exist for solving …

An interior point algorithm for large-scale nonlinear optimization with applications in process engineering

A Wachter - 2002 - search.proquest.com
Nonlinear programming (NLP) has become an essential tool in process engineering,
leading to profit gains through improved plant designs and better control strategies. The …

Advances in simultaneous strategies for dynamic process optimization

LT Biegler, AM Cervantes, A Wächter - Chemical engineering science, 2002 - Elsevier
Following on the popularity of dynamic simulation for process systems, dynamic optimization
has been identified as an important task for key process applications. In this study, we …