Optimization and homotopy methods for the Gibbs free energy of magmatic mixtures

نویسندگان

  • A. Cassioli
  • L. Consolini
  • M. Locatelli
  • A. Longo
چکیده

In this paper we consider a mathematical model for magmatic mixtures based on the Gibbs free energy. Different reformulations of the problem are presented and some theoretical results about the existence and number of solutions are derived. Finally, two homotopy methods and a global optimization one are introduced and computationally tested. One of the homotopy methods returns a single solution of the problem, while the other is able to return optimal solutions (often all of them). The global optimization method is a branch-and-reduce one with a theoretical guarantee of detecting all the solutions, although numerical difficulties may result in a loss of a few of them.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Application of Electrochemistry to Determination of Transfer Gibbs Energies and Autoprotolysis Constants for Aqueous Mixtures of Dimethyl Sulfoxide

A practical potentiometric method was applied successfully to experimental electrochemical data in order to determine the autoprotolysis constants (pKap) of water + dimethyl sulfoxide mixtures containing 0-90 % of DMSO by volume at 25° C and 0.1 M ionic strength was maintained in each mixture by NaClO4 solution. The results indicated that water-DMSO mixtures are more basic media than pure water...

متن کامل

Multi-Component-Multiphase Flash Calculations for Systems Containing Gas Hydrates by Direct Minimization of Gibbs Free Energy

The Michelsen stability and multiphase flash calculation by direct minimization of Gibbs free energy of the system at constant temperature and pressure, was used for systems containing gas hydrates. The solid hydrate phase was treated as a solid solution. The fugacities of all components of the hydrate phase were calculated as a function of compositions by the rearranged model of van der Wa...

متن کامل

Determination of the Equilibrium Parameters of Gaseous Detonations Using a Genetic Algorithm

The present work is concerned with the development of a new algorithm for determination of the equilibrium composition of gaseous detonations. The elements balance equations, and the second law of thermodynamics (i.e., the minimization of the Gibbs free energy of products), are used to determine the equilibrium composition of the detonation products. To minimize the Gibbs free energy with tradi...

متن کامل

Theoretical study of the solvent effects on the thermodynamic functions of Alanine and Valine Amino Acids

Using Gaussian 03, software the thermodynamic functions such as Gibbs free energy, G, Enthalpy, H, and Entropy, S, of Alanine and Valine amino acids were theoretically studied at different solvents. First, the Density Functional Theory (B3LYP) level with 3-21G, 6-31G and 6-31+G basis sets were employed to optimization of isolated Alanine and Valine amino acids in the gas phase. Moreover, Vib...

متن کامل

Theoretical Thermodynamic Study of Arginine and Lysine Amino Acids at different Solvents

The thermodynamic functions such as enthalpy, H°, Gibbs free energy, G°, and entropy, S°, of Arginine and Lysine amino acids were theoretically studied at different polar solvents by using ²Gaussian o3², software. First, the structural optimization of isolated Arginine and Lysine were done in the gas phase by applying the Density Functional Theory (B3LYP) level ...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:

دوره   شماره 

صفحات  -

تاریخ انتشار 2011