A methodology for solving chemical equilibrium systems
From MaRDI portal
This paper describes a methodology for solving chemical equilibrium systems. The methodology is especially appropriate when many systems with the same structure must be solved quickly, as in finite-difference models of fluid flow and combustion. The approach features identifying a canonical form for such systems and exploiting this canonical form to effect a preliminary algebraic reduction. Then numerical scaling and iterative solution techniques are evoked. Both homotopy continuation and a variant of Newton's method are effective solution methods. This methodology is a significant advance over previous approaches to solving chemical equilibrium systems. The problem of solving such systems has heretofore been regarded as challenging; solution techniques have tended to emphasize case-by-case analyses and hit-or-miss numerical methods. We show that the problem can be solved by a unified approach, quickly and reliably.
Recommendations
- Another Way to Solve Complex Chemical Equilibria
- scientific article; zbMATH DE number 4199489
- Enumeration approach to computing chemical equilibria
- OR Practice—Solving Complex Chemical Equilibria Using a Geometric-Programming Based Technique
- Solving chemical kinetics equations by explicit methods
- scientific article; zbMATH DE number 4039705
- scientific article; zbMATH DE number 520076
- On linear programming approach for the calculation of chemical equilibrium in complex thermodynamic systems
- Computing complex chemical equilibria by generalized linear programming
Cites work
- A homotopy for solving polynomial systems
- A transformation to avoid solutions at infinity for polynomial systems
- An Approach to Homotopy and Degree Theory
- Determining All Solutions to Certain Systems of Nonlinear Equations
- Finding All Solutions to a System of Polynomial Equations
- Finding all solutions to polynomial systems and other systems of equations
- scientific article; zbMATH DE number 3809326 (Why is no real title available?)
- scientific article; zbMATH DE number 3666091 (Why is no real title available?)
- scientific article; zbMATH DE number 3721987 (Why is no real title available?)
- scientific article; zbMATH DE number 50337 (Why is no real title available?)
- scientific article; zbMATH DE number 862514 (Why is no real title available?)
- scientific article; zbMATH DE number 3248502 (Why is no real title available?)
- scientific article; zbMATH DE number 3381785 (Why is no real title available?)
- scientific article; zbMATH DE number 3050844 (Why is no real title available?)
- On the Number of Solutions to Polynomial Systems of Equations
- OR Practice—Solving Complex Chemical Equilibria Using a Geometric-Programming Based Technique
- Performance of algorithms for calculating the equilibrium composition of a mixture of gases
- Simplicial and Continuation Methods for Approximating Fixed Points and Solutions to Systems of Equations
Cited in
(only showing first 100 items - show all)- Performance of algorithms for calculating the equilibrium composition of a mixture of gases
- A homotopy for solving general polynomial systems that respects m- homogeneous structures
- Computing all solutions to polynomial systems using homotopy continuation
- Coefficient-parameter polynomial continuation
- Computing complex chemical equilibria by generalized linear programming
- A power series method for computing singular solutions to nonlinear analytic systems
- Computing singular solutions to polynomial systems
- Convergence of the equilibrium code SOLGASMIX
- Homotopies for solving polynomial systems within a bounded domain
- Toric Newton method for polynomial homotopies
- Comparison of linear solvers for equilibrium geochemistry computations
- An efficient three-term conjugate gradient method for nonlinear monotone equations with convex constraints
- A globally convergent matrix-free method for constrained equations and its linear convergence rate
- Levenberg-Marquardt methods with strong local convergence properties for solving nonlinear equations with convex constraints
- A calculus of chemical systems
- An affine scaling trust-region approach to bound-constrained nonlinear systems
- Constrained dogleg methods for nonlinear systems with simple bounds
- A projection method for convex constrained monotone nonlinear equations with applications
- A modified scaled spectral-conjugate gradient-based algorithm for solving monotone operator equations
- FR-type algorithm for finding approximate solutions to nonlinear monotone operator equations
- On solving double direction methods for convex constrained monotone nonlinear equations with image restoration
- A method with inertial extrapolation step for convex constrained monotone equations
- A modified PRP-type conjugate gradient projection algorithm for solving large-scale monotone nonlinear equations with convex constraint
- Projection method with inertial step for nonlinear equations: application to signal recovery
- An efficient conjugate gradient-based algorithm for unconstrained optimization and its projection extension to large-scale constrained nonlinear equations with applications in signal recovery and image denoising problems
- Modified optimal Perry conjugate gradient method for solving system of monotone equations with applications
- A hybrid approach for finding approximate solutions to constrained nonlinear monotone operator equations with applications
- An efficient DY-type spectral conjugate gradient method for system of nonlinear monotone equations with application in signal recovery
- An efficient gradient-free projection algorithm for constrained nonlinear equations and image restoration
- Solving nonlinear monotone operator equations via modified SR1 update
- New hybrid three-term spectral-conjugate gradient method for finding solutions of nonlinear monotone operator equations with applications
- A modified Dai-Kou-type method with applications to signal reconstruction and blurred image restoration
- A modified Liu-Storey-conjugate descent hybrid projection method for convex constrained nonlinear equations and image restoration
- A note on the spectral gradient projection method for nonlinear monotone equations with applications
- A new conjugate gradient projection method for convex constrained nonlinear equations
- Global convergence via descent modified three-term conjugate gradient projection algorithm with applications to signal recovery
- A family of modified spectral projection methods for nonlinear monotone equations with convex constraint
- PRP-like algorithm for monotone operator equations
- Two spectral gradient projection methods for constrained equations and their linear convergence rate
- Spectral gradient projection method for monotone nonlinear equations with convex constraints
- A class of derivative-free CG projection methods for nonsmooth equations with an application to the LASSO problem
- Self adaptive spectral conjugate gradient method for solving nonlinear monotone equations
- Some variants of Halley's method with memory and their applications for solving several chemical problems
- A derivative-free iterative method for nonlinear monotone equations with convex constraints
- Multivariate spectral DY-type projection method for convex constrained nonlinear monotone equations
- A scaled derivative-free projection method for solving nonlinear monotone equations
- Global optimization by continuous grasp
- Chemical equation balancing: an integer programming approach
- Finding all steady state solutions of chemical kinetic models
- Signal recovery with convex constrained nonlinear monotone equations through conjugate gradient hybrid approach
- A new inertial-based method for solving pseudomonotone operator equations with application
- Majorization-minimization-based Levenberg-Marquardt method for constrained nonlinear least squares
- A modified inertial three-term conjugate gradient projection method for constrained nonlinear equations with applications in compressed sensing
- On the modified trust region algorithm for nonlinear equations
- On solutions to equilibrium problems for systems of stiffened gases
- Software for the Gale transform of fewnomial systems and a Descartes rule for fewnomials
- scientific article; zbMATH DE number 5619588 (Why is no real title available?)
- scientific article; zbMATH DE number 4195120 (Why is no real title available?)
- New hybrid conjugate gradient projection method for the convex constrained equations
- scientific article; zbMATH DE number 4199489 (Why is no real title available?)
- Modified Hager–Zhang conjugate gradient methods via singular value analysis for solving monotone nonlinear equations with convex constraint
- Efficient matrix-free direction method with line search for solving large-scale system of nonlinear equations
- OR Practice—Solving Complex Chemical Equilibria Using a Geometric-Programming Based Technique
- A superlinearly convergent hybrid algorithm for systems of nonlinear equations
- Rate-controlled constrained-equilibrium method using constraint potentials
- scientific article; zbMATH DE number 1534377 (Why is no real title available?)
- Uniqueness of equilibrium in the haber synthesis of ammonia
- A spectral conjugate gradient projection algorithm to solve the large-scale system of monotone nonlinear equations with application to compressed sensing
- Modification of the double direction approach for solving systems of nonlinear equations with application to Chandrasekhar's integral equation
- A modified Hager-Zhang conjugate gradient method with optimal choices for solving monotone nonlinear equations
- A derivative-free three-term Hestenes–Stiefel type method for constrained nonlinear equations and image restoration
- A descent Dai-Liao projection method for convex constrained nonlinear monotone equations with applications
- A three-term inertial derivative-free projection method for convex constrained monotone equations
- A derivative-free projection algorithm for solving pseudo-monotone equations with convex constraints
- An algorithm for finding all solutions of a nonlinear system
- A framework for convex-constrained monotone nonlinear equations and its special cases
- Collaborative neurodynamic optimization for solving nonlinear equations
- New three-term conjugate gradient algorithm for solving monotone nonlinear equations and signal recovery problems
- A derivative-free scaling memoryless DFP method for solving large scale nonlinear monotone equations
- An improved inertial projection method for solving convex constrained monotone nonlinear equations with applications
- A projection-based hybrid PRP-DY type conjugate gradient algorithm for constrained nonlinear equations with applications
- Another hybrid approach for solving monotone operator equations and application to signal processing
- A modified spectral gradient projection-based algorithm for large-scale constrained nonlinear equations with applications in compressive sensing
- A unified convergence analysis of the derivative-free projection-based method for constrained nonlinear monotone equations
- Modified Dai-Zuan iterative scheme for nonlinear systems and its application
- A derivative‐free projection method for nonlinear equations with non‐Lipschitz operator: Application to LASSO problem
- Comment on: ``A derivative-free iterative method for nonlinear monotone equations with convex constraints
- On a scaled symmetric Dai-Liao-type scheme for constrained system of nonlinear equations with applications
- Global convergence via modified self-adaptive approach for solving constrained monotone nonlinear equations with application to signal recovery problems
- On the Hybridization of the Double Step Length Method for Solving System of Nonlinear Equations
- Modified three-term derivative-free projection method for solving nonlinear monotone equations with application
- On two symmetric Dai-Kou type schemes for constrained monotone equations with image recovery application
- Sparse signal reconstruction via Hager–Zhang-type schemes for constrained system of nonlinear equations
- A new three-term conjugate gradient-based projection method for solving large-scale nonlinear monotone equations
- A hybrid BFGS-like method for monotone operator equations with applications
- Stabilized BB projection algorithm for large-scale convex constrained nonlinear monotone equations to signal and image processing problems
- A new hybrid CGPM-based algorithm for constrained nonlinear monotone equations with applications
- An effective inertial-relaxed CGPM for nonlinear monotone equations
- A sufficient descent LS-PRP-BFGS-like method for solving nonlinear monotone equations with application to image restoration
- Three-term Hager-Zhang projection method for monotone nonlinear equations
This page was built for publication: A methodology for solving chemical equilibrium systems
Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q1821509)
