Outer approximation algorithm with physical domain reduction for computer-aided molecular and separation process design

An algebraic approach for simultaneous solution of process and molecular design problems

(2017) S. Bommareddy et al.   BRAZILIAN JOURNAL OF CHEMICAL ENGINEERING

The formulation of optimal mixtures with generalized disjunctive programming: A solvent design case study

(2016) Suela Jonuzaj et al.   AICHE JOURNAL

A hierarchical method to integrated solvent and process design of physical CO2absorption using the SAFT-γ Mie approach

(2015) Jakob Burger et al.   AICHE JOURNAL

Efficient optimization-based design for the separation of heterogeneous azeotropic mixtures

(2015) Mirko Skiborowski et al.   COMPUTERS & CHEMICAL ENGINEERING

Computer-aided molecular design in the continuous-molecular targeting framework using group-contribution PC-SAFT

(2015) Matthias Lampe et al.   COMPUTERS & CHEMICAL ENGINEERING

A Hybrid Evolutionary–Deterministic Optimization Approach for Conceptual Design

(2015) Mirko Skiborowski et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Impact of high pressure on high concentration carbon dioxide capture from natural gas by monoethanolamine/N-methyl-2-pyrrolidone solvent in absorption packed column

(2015) L.S. Tan et al.   International Journal of Greenhouse Gas Control

Integrated solvent and process design exemplified for a Diels-Alder reaction

(2014) Teng Zhou et al.   AICHE JOURNAL

Group contribution methodology based on the statistical associating fluid theory for heteronuclear molecules formed from Mie segments

(2014) Vasileios Papaioannou et al.   JOURNAL OF CHEMICAL PHYSICS

Optimization-based framework for computer-aided molecular design

(2013) Apurva P. Samudra et al.   AICHE JOURNAL

A Novel Methodology for Property-Based Molecular Design Using Multiple Topological Indices

(2013) Nishanth G. Chemmangattuvalappil et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Toward Optimum Working Fluid Mixtures for Organic Rankine Cycles using Molecular Design and Sensitivity Analysis

(2013) Athanasios I. Papadopoulos et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Computer-aided molecular design of solvents for accelerated reaction kinetics

(2013) Heiko Struebing et al.   Nature Chemistry

Simultaneous design of ionic liquid entrainers and energy efficient azeotropic separation processes

(2012) Brock C. Roughton et al.   COMPUTERS & CHEMICAL ENGINEERING

Group-contribution+ (GC+) based estimation of properties of pure components: Improved property estimation and uncertainty analysis

(2012) Amol Shivajirao Hukkerikar et al.   FLUID PHASE EQUILIBRIA

The HELD algorithm for multicomponent, multiphase equilibrium calculations with generic equations of state

(2011) Frances E. Pereira et al.   COMPUTERS & CHEMICAL ENGINEERING

Computer-aided biocompatible solvent design for an integrated extractive fermentation–separation process

(2010) Hou-Chieh Cheng et al.   CHEMICAL ENGINEERING JOURNAL

An equation-oriented approach for handling thermodynamics based on cubic equation of state in process optimization

(2010) Ravindra S. Kamath et al.   COMPUTERS & CHEMICAL ENGINEERING

Integrated solvent and process design using a SAFT-VR thermodynamic description: High-pressure separation of carbon dioxide and methane

(2010) F.E. Pereira et al.   COMPUTERS & CHEMICAL ENGINEERING

Continuous-Molecular Targeting for Integrated Solvent and Process Design

(2010) André Bardow et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

A systematic synthesis framework for extractive distillation processes

(2008) S. Kossack et al.   CHEMICAL ENGINEERING RESEARCH & DESIGN

A Property Based Approach for Simultaneous Process and Molecular Design

(2008) Fadwa Tahra Eljack et al.   CHINESE JOURNAL OF CHEMICAL ENGINEERING