A duality-based optimisation approach for the reliable solution of (P, T) phase equilibrium in volume-composition space

[1]  F. Rossini Thermodynamics and physics of matter , 1955 .

[2]  Selmer M. Johnson,et al.  Chemical Equilibrium in Complex Mixtures , 1958 .

[3]  W. Stockmayer Liquids and Liquid Mixtures. , 1961 .

[4]  Anna Walsh STUDIES IN MOLECULAR DYNAMICS , 1965 .

[5]  B. Alder,et al.  Studies in Molecular Dynamics. VII. Hard‐Sphere Distribution Functions and an Augmented van der Waals Theory , 1969 .

[6]  K. E. Starling,et al.  Equation of State for Nonattracting Rigid Spheres , 1969 .

[7]  K. N. Marsh,et al.  Thermodynamic excess functions of mixtures of simple molecules according to several equations of state , 1970 .

[8]  K. E. Starling,et al.  Intermolecular repulsions and the equation of state for fluids , 1972 .

[9]  Jefferson W. Tester,et al.  Thermodynamics and its applications , 1974 .

[10]  J. E. Falk,et al.  Infinitely constrained optimization problems , 1976 .

[11]  D. W. Noid Studies in Molecular Dynamics , 1976 .

[12]  M. S. Bazaraa,et al.  Nonlinear Programming , 1979 .

[13]  W. Seider,et al.  Computation of phase and chemical equilibrium: Part I. Local and constrained minima in Gibbs free energy , 1979 .

[14]  Warren D. Seider,et al.  Computation of phase and chemical equilibrium: Part II. Phase‐splitting , 1979 .

[15]  P. H. van Konynenburg,et al.  Critical lines and phase equilibria in binary van der Waals mixtures , 1980, Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences.

[16]  I. Grossmann,et al.  Computation of phase and chemical equilibria , 1981 .

[17]  C. McDermott,et al.  Three phase flash calculations using free energy minimisation , 1982 .

[18]  Kenneth O. Kortanek,et al.  Semi-Infinite Programming and Applications , 1983, ISMP.

[19]  L. E. Baker,et al.  Gibbs energy analysis of phase equilibria , 1982 .

[20]  M. Michelsen The isothermal flash problem. Part I. Stability , 1982 .

[21]  M. Michelsen The isothermal flash problem. Part II. Phase-split calculation , 1982 .

[22]  S. Gustafson A Three-Phase Algorithm for Semi-Infinite Programs , 1983 .

[23]  H. Triebel Analysis and mathematical physics , 1986 .

[24]  George Jackson,et al.  Phase equilibria in model mixtures of spherical molecules of different sizes , 1986 .

[25]  K. Gubbins,et al.  Phase equilibria of associating fluids : spherical molecules with multiple bonding sites , 1988 .

[26]  George Jackson,et al.  SAFT: Equation-of-state solution model for associating fluids , 1989 .

[27]  Christodoulos A. Floudas,et al.  Deterministic Global Optimization , 1990 .

[28]  Angelo Lucia,et al.  Simple Process Equations, Fixed-Point Methods, and Chaos , 1990 .

[29]  George Jackson,et al.  New reference equation of state for associating liquids , 1990 .

[30]  A. S. Cullick,et al.  New strategy for phase equilibrium and critical point calculations by thermodynamic energy analysis. Part II. Critical point calculations , 1991 .

[31]  G. Jackson Theory of closed-loop liquid-liquid immiscibility in mixtures of molecules with directional attractive forces , 1991 .

[32]  Hanif D. Sherali,et al.  A new reformulation-linearization technique for bilinear programming problems , 1992, J. Glob. Optim..

[33]  George Jackson,et al.  Theory of phase equilibria for model aqueous solutions of chain molecules: water + alkane mixtures , 1992 .

[34]  George Jackson,et al.  Theory of phase equilibria and closed‐loop liquid–liquid immiscibility for model aqueous solutions of associating chain molecules: Water +alkanol mixtures , 1992 .

[35]  R. Horst,et al.  Global Optimization: Deterministic Approaches , 1992 .

[36]  C. M. Shetty,et al.  Nonlinear Programming - Theory and Algorithms, Second Edition , 1993 .

[37]  L. Biegler,et al.  Iterated linear programming strategies for non-smooth simulation: A penalty based method for vapor—liquid equilibrium applications , 1993 .

[38]  The fractal response of robust solution techniques to the stationary point problem , 1993 .

[39]  Kenneth O. Kortanek,et al.  Semi-Infinite Programming: Theory, Methods, and Applications , 1993, SIAM Rev..

[40]  Christodoulos A. Floudas,et al.  Decomposition based and branch and bound global optimization approaches for the phase equilibrium problem , 1994, J. Glob. Optim..

[41]  Christodoulos A. Floudas,et al.  Finding all solutions of nonlinearly constrained systems of equations , 1995, J. Glob. Optim..

[42]  Christodoulos A. Floudas,et al.  αBB: A global optimization method for general constrained nonconvex problems , 1995, J. Glob. Optim..

[43]  C. Floudas,et al.  Global optimization for the phase and chemical equilibrium problem: Application to the NRTL equation , 1995 .

[44]  Christodoulos A. Floudas,et al.  Global optimization for the phase stability problem , 1995 .

[45]  Christodoulos A. Floudas,et al.  Global Optimization and Analysis for the Gibbs Free Energy Function Using the UNIFAC, Wilson, and ASOG Equations , 1995 .

[46]  W. Seider,et al.  Homotopy-continuation method for stability analysis in the global minimization of the Gibbs free energy , 1995 .

[47]  A. Galindo,et al.  Predicting the High-Pressure Phase Equilibria of Water + n-Alkanes Using a Simplified SAFT Theory with Transferable Intermolecular Interaction Parameters , 1996 .

[48]  M. Stadtherr,et al.  Robust process simulation using interval methods , 1996 .

[49]  Nikolaos V. Sahinidis,et al.  BARON: A general purpose global optimization software package , 1996, J. Glob. Optim..

[50]  Mark A. Stadtherr,et al.  Reliable prediction of phase stability using an interval Newton method , 1996 .

[51]  A. Galindo,et al.  Predicting the Phase Equilibria of Mixtures of Hydrogen Fluoride with Water, Difluoromethane (HFC-32), and 1,1,1,2-Tetrafluoroethane (HFC-134a) Using a Simplified SAFT Approach , 1997 .

[52]  C. Floudas,et al.  GLOPEQ: A new computational tool for the phase and chemical equilibrium problem , 1997 .

[53]  M. Stadtherr,et al.  Enhanced Interval Analysis for Phase Stability: Cubic Equation of State Models , 1998 .

[54]  A. Neumaier,et al.  A global optimization method, αBB, for general twice-differentiable constrained NLPs — I. Theoretical advances , 1998 .

[55]  G. Jackson,et al.  Liquid crystalline phase behavior in systems of hard-sphere chains , 1998 .

[56]  K. I. M. McKinnon,et al.  A Generic Global Optimization Algorithm for the Chemical and Phase Equilibrium Problem , 1998, J. Glob. Optim..

[57]  C. Adjiman,et al.  A global optimization method, αBB, for general twice-differentiable constrained NLPs—II. Implementation and computational results , 1998 .

[58]  Michael L. Michelsen,et al.  State function based flash specifications , 1999 .

[59]  Christodoulos A. Floudas,et al.  Deterministic global optimization - theory, methods and applications , 2010, Nonconvex optimization and its applications.

[60]  Parasuram Anantharam Modelling systems , 2000, SOEN.

[61]  A. Lucia,et al.  MULTIPHASE EQUILIBRIUM FLASH CALCULATIONS , 2000 .

[62]  Phase Stability Analysis in Binary Systems , 2000 .

[63]  M. Stadtherr,et al.  Reliable Nonlinear Parameter Estimation in VLE Modeling , 2000 .

[64]  S. T. Harding,et al.  Phase stability with cubic equations of state: Global optimization approach , 2000 .

[65]  C. Floudas,et al.  Locating All Heterogeneous and Reactive Azeotropes in Multicomponent Mixtures , 2000 .

[66]  Hanif D. Sherali,et al.  Global optimization of nonconvex factorable programming problems , 2001, Math. Program..

[67]  G. P. Rangaiah Evaluation of genetic algorithms and simulated annealing for phase equilibrium and stability problems , 2001 .

[68]  Christodoulos A. Floudas,et al.  Global Optimization of Nonlinear Bilevel Programming Problems , 2001, J. Glob. Optim..

[69]  M. Stadtherr,et al.  Reliable Computation of Phase Stability and Equilibrium from the SAFT Equation of State , 2002 .

[70]  S. Gómez,et al.  Multiphase equilibria calculation by direct minimization of Gibbs free energy with a global optimization method , 2002 .

[71]  S. Gómez,et al.  Phase stability analysis with cubic equations of state by using a global optimization method , 2002 .

[72]  Lonnie Hamm,et al.  GLOBAL OPTIMIZATION METHODS , 2002 .

[73]  George Jackson,et al.  Understanding liquid-liquid immiscibility and LCST behaviour in polymer solutions with a Wertheim TPT1 description , 2003 .

[74]  R. P. Stateva,et al.  Numerical Solution of the Isothermal, Isobaric Phase Equilibrium Problem , 2004 .

[75]  Michael Locht Michelsen,et al.  Thermodynamic Modelling: Fundamentals and Computational Aspects , 2004 .

[76]  Leo Liberti,et al.  Reduction constraints for the global optimization of NLPs , 2004 .

[77]  Peter A. DiMaggio,et al.  The phase behavior of n-alkane systems , 2005, Comput. Chem. Eng..

[78]  Reginaldo Guirardello,et al.  Application of interval analysis for gibbs and helmholtz free energy global minimization in phase stability analysis , 2006 .

[79]  George Jackson,et al.  Phase equilibria of associating fluids , 2006 .

[80]  Leo Liberti,et al.  An Exact Reformulation Algorithm for Large Nonconvex NLPs Involving Bilinear Terms , 2006, J. Glob. Optim..

[81]  S. Gómez,et al.  VOLUME-BASED THERMODYNAMICS GLOBAL PHASE STABILITY ANALYSIS , 2006 .

[82]  Gade Pandu Rangaiah,et al.  A study of differential evolution and tabu search for benchmark, phase equilibrium and phase stability problems , 2007, Comput. Chem. Eng..

[83]  P. I. Barton,et al.  A dual extremum principle in thermodynamics , 2007 .

[84]  A. Galindo,et al.  Examining the effect of chain length polydispersity on the phase behavior of polymer solutions with the statistical associating fluid theory (Wertheim TPT1) using discrete and continuous distributions. , 2007, The Journal of chemical physics.

[85]  Katta G. Murty,et al.  Nonlinear Programming Theory and Algorithms , 2007, Technometrics.

[86]  Paul I. Barton,et al.  Global solution of bilevel programs with a nonconvex inner program , 2008, J. Glob. Optim..

[87]  W. Wiesemann,et al.  Global Optimisation of Pessimistic Bi-Level Problems , 2008 .

[88]  G. Jackson,et al.  Many-fluid Onsager density functional theories for orientational ordering in mixtures of anisotropic hard-body fluids. , 2008, The Journal of chemical physics.

[89]  G. Jackson,et al.  A generalisation of the Onsager trial-function approach: describing nematic liquid crystals with an algebraic equation of state , 2008 .

[90]  G. Jackson,et al.  Advances in generalised van der Waals approaches for the isotropic–nematic fluid phase equilibria of thermotropic liquid crystals–an algebraic equation of state for attractive anisotropic particles with the Onsager trial function , 2009 .

[91]  P. I. Barton,et al.  Bilevel optimization formulation for parameter estimation in vapor–liquid(–liquid) phase equilibrium problems , 2009 .

[92]  Claire S. Adjiman,et al.  Fluid phase stability and equilibrium calculations in binary mixtures: Part I: Theoretical development for non-azeotropic mixtures , 2009 .

[93]  Christodoulos A. Floudas,et al.  A review of recent advances in global optimization , 2009, J. Glob. Optim..

[94]  Claire S. Adjiman,et al.  Fluid phase stability and equilibrium calculations in binary mixtures: Part II: Application to single-point calculations and the construction of phase diagrams , 2009 .

[95]  Berç Rustem,et al.  A global optimization algorithm for generalized semi-infinite, continuous minimax with coupled constraints and bi-level problems , 2009, J. Glob. Optim..