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Twice Continuously Differentiable NLP Problems


Twice continuously differentiable NLPs represent a very broad class of problems with diverse applications in the fields of engineering, science, finance and economics. Specific problems include phase equilibrium characterization, minimum potential energy conformation of clusters and molecules, distillation sequencing, reactor network design, batch process design, VLSI chip design, protein folding, and portfolio optimization.

Test Problem 
Description
AMPL Model File
AMPL Data File
1
Adjiman-et.al.(98a)
HTD8.2.1.mod
 
2
Maranas-Floudas(94b)
HTD8.2.2.mod
 
3
Goldstein-Price(1971)
HTD8.2.3.mod
 
4
Dixon-Szego(1975) (Three-hump camelback function)
HTD8.2.4.mod
 
5
Dixon-Szego(1975)(Six-hump Camelback Function)
HTD8.2.5.mod
 
6
Dixon-Szego(1975) (Shekel Function)
HTD8.2.6.mod
 
7
Murtagh-Saunders(93) and Adjiman-et.al.(98b)
HTD8.2.7.mod
 
8
Ryoo-Sahinidis(1995)
HTD8.2.8.mod
 

Batch Plant Design Under Uncertainty

Test Problem
Description
AMPL

Model File

AMPL Data File
1
Single-Product Campaign (2 products in 3 stages with 1 scenario)
HTD8.3.3.mod
HTD8.3.3.dat
2
Single-Product Campaign (4 products in 6 stages with 3 scenarios)
HTD8.3.4.mod
HTD8.3.4.dat
3
Single-Product Campaign (5 products in 6 stages with 1 scenario)
ex8.2.3.mod
ex8.2.3.dat
4
Mixed-Product Campaign with Unlimited Intermediate Storage (2 products in 3 stages with 1 scenario)
ex8.2.4.mod
ex8.2.4.dat
5
Mixed-Product Campaign with Unlimited Intermediate Storage (4 products in 6 stages with 1 scenario)
ex8.2.5.mod
ex8.2.5.dat

Chemical Reactor Network Problems

Test Problem
Description
AMPL Model File
AMPL Data File
1
Nonisothermal Van de Vusse Reaction Case I
ex8.3.1.mod
ex8.3.1.dat
2
Isothermal Van de Vusse Case I
ex8.3.2.mod
ex8.3.2.dat
3
Isothermal Van de Vusse Case II
ex8.3.3.mod
ex8.3.3.dat
4
Isothermal Van de Vusse Case III
ex8.3.4.mod
ex8.3.4.dat
5
Isothermal Van de Vusse Case IV
ex8.3.5.mod
ex8.3.5.dat
6
Isothermal Trambouze Reaction
ex8.3.6.mod
ex8.3.6.dat
7
Isothermal Denbigh Reaction Case I
ex8.3.7.mod
ex8.3.7.dat
8
Isothermal Denbigh Reaction Case II
ex8.3.8.mod
ex8.3.8.dat
9
Isothermal Levenspiel Reaction
ex8.3.9.mod
ex8.3.9.dat
10
a-Pinene Reaction
ex8.3.10.mod
ex8.3.10.dat
11
Nonisothermal Van de Vusse Reaction Case II
ex8.3.11.mod
ex8.3.11.dat
12
Nonisothermal Naphthalene Reaction
ex8.3.12.mod
ex8.3.12.dat
13
Nonisothermal Parallel Reactions
ex8.3.13.mod
ex8.3.13.dat
14
Sulfur Dioxide Oxidation
ex8.3.14.mod
ex8.3.14.dat

Parameter Estimation Problems

Test Problem
Description
AMPL Model File
AMPL Data File
1
Linear Model
ex8.4.1.mod
ex8.4.1.dat
2
Polynomial Model
ex8.4.2.mod
ex8.4.2.dat
3
Non-linear Model
ex8.4.3.mod
ex8.4.3.dat
4
Respiratory Mechanical Model
ex8.4.4.mod
ex8.4.4.dat
5
Kowalik Problem
ex8.4.5.mod
ex8.4.5.dat
6
Pharmacokinetic Model
ex8.4.6.mod
ex8.4.6.dat
7
Steady-State CSTR
ex8.4.7.mod
ex8.4.7.dat
8
Vapor-Liquid Equilibrium Model
ex8.4.8.mod
ex8.4.8.dat

Phase and Chemical Equilibrium Problems - Equations of State

Test Problem
Description
Gams File
1
Ternary system with unstable feed solution (Van der Waals) ex8.5.1.gms
2
Ternary system with stable feed solution (Van der Waals) ex8.5.2.gms
3
Hydrogen sulfide - methane (SRK) ex8.5.3.gms
4
Methane - propane (SRK) ex8.5.4.gms
5
Carbon dioxide - methane (Peng-Robinson) ex8.5.5.gms
6
Nitrogen - methane - ethane (Peng-Robinson) ex8.5.6.gms

Clusters of Atoms and Molecules

Test Problem
Description
Gams File
1
Lennard-Jones Potential ex8.6.1.gms
2
Morse Potential ex8.6.2.gms
3
Tersoff Potential .gms
4
Brenner Potential .gms
5
Bolding-Andersen Potential .gms

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