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An Algebraic Formulation For An Equal Area Rule To Determine Phase Compositions In Simple Reactive Systems, Gustavo A. Iglesias-Silva, Adrian Bonilla-Petriciolet, Kenneth R. Hall Jan 2006

An Algebraic Formulation For An Equal Area Rule To Determine Phase Compositions In Simple Reactive Systems, Gustavo A. Iglesias-Silva, Adrian Bonilla-Petriciolet, Kenneth R. Hall

Adrian Bonilla-Petriciolet

Equal area rules are fundamental constructs in thermodynamics for determining conditions of equilibrium. The Maxwell equal area rule (MEAR) provides saturated volumes when the two-phase isotherm/isobar cuts the van derWaals loops such that the areas above and below are equal. Another equal area rule exists for determining the phase compositions in a binary mixture when plotting the derivative of the total Gibbs energy against the composition. In this work, we show that in the determination of phase compositions in reactive systems, an equal area rule exists under the correct transformation of the mole fractions.


Cálculo De Puntos Críticos Empleando Una Estrategia De Optimización Global Estocástica, Francisco Sánchez-Mares, Adrian Bonilla-Petriciolet Jan 2006

Cálculo De Puntos Críticos Empleando Una Estrategia De Optimización Global Estocástica, Francisco Sánchez-Mares, Adrian Bonilla-Petriciolet

Adrian Bonilla-Petriciolet

The determination of critical points in multicomponent mixtures is important for both theoretical and experimental issues in the context of Chemical Engineering and related areas. In this work, we introduce a new method to perform critical point calculations which is based on the Heidemann and Khalil’s formulation and the stochastic global optimization method Simulated Annealing. Numerical performance (reliability and efficiency) of this strategy has been tested in the prediction of critical conditions of several multicomponent mixtures. Our results show that proposed method is generally robust for these calculations. However, the computational time is still significant for multicomponent systems.


Performance Of Stochastic Optimization Methods In The Calculation Of Phase Stability Analyses For Nonreactive And Reactive Mixtures, Adrian Bonilla-Petriciolet, Richard Vázquez-Román, Gustavo A. Iglesias-Silva, Kenneth R. Hall Jan 2006

Performance Of Stochastic Optimization Methods In The Calculation Of Phase Stability Analyses For Nonreactive And Reactive Mixtures, Adrian Bonilla-Petriciolet, Richard Vázquez-Román, Gustavo A. Iglesias-Silva, Kenneth R. Hall

Adrian Bonilla-Petriciolet

In this paper, we perform a comparative study of four stochastic optimization methods for calculating the phase stability of reactive and nonreactive mixtures. We have compared the algorithms: simulated annealing, very fast simulated annealing, a modified version of direct search simulated annealing, and stochastic differential equations. We test the numerical performance and reliability of these methods using several stability problems. From our results, the simulated annealing algorithm appears to be the most reliable method for minimization of the tangent plane distance function for both reactive and nonreactive mixtures.


Bubble And Dew Point Calculations In Multicomponent And Multireactive Mixtures, Adrian Bonilla-Petriciolet, Azucena Acosta-Martínez, Ulises I. Bravo-Sánchez, Juan Gabriel Segovia-Hernández Jan 2006

Bubble And Dew Point Calculations In Multicomponent And Multireactive Mixtures, Adrian Bonilla-Petriciolet, Azucena Acosta-Martínez, Ulises I. Bravo-Sánchez, Juan Gabriel Segovia-Hernández

Adrian Bonilla-Petriciolet

Bubble and dew point calculations are useful in chemical engineering and play an important role in the study of separation equipments for non-reactive and reactive mixtures. To the best of the authors’s knowledge, few methods have been proposed for these calculations in systems with several chemical reactions. The objective of this paper is to introduce new conditions for performing bubble and dew point calculations in reactive mixtures. We have developed these conditions based on the application of transformed variables of Ung and Doherty (1995). Using these transformed variables, the solution space is restricted to compositions that are already at chemical …


Dynamic Analysis Of Distillation Sequences With Thermal Coupling (With Unidirectional Flows) For The Separation Of Ternary Mixtures, Juan Gabriel Segovia-Hernández, Adrian Bonilla-Petriciolet, Luis I. Salcedo-Estrada Jan 2006

Dynamic Analysis Of Distillation Sequences With Thermal Coupling (With Unidirectional Flows) For The Separation Of Ternary Mixtures, Juan Gabriel Segovia-Hernández, Adrian Bonilla-Petriciolet, Luis I. Salcedo-Estrada

Adrian Bonilla-Petriciolet

The Petlyuk distillation system has been considered with special interest because of the high energy savings it can provide with respect to the operation of sequences based on conventional columns. The original design of the Petlyuk structure, however, shows two interconnections that seem to affect its operational and controllability properties. To overcome this problem, two alternate structures have been suggested that use unidirectional flows of the vapor or liquid interconnecting streams. In this work, a comparative analysis of the control properties of the Petlyuk column and the alternate arrangements with unidirectional interconnecting flows is presented. Through a singular value decomposition …