Prediction of critical points: A new methodology using global optimization

Henderson, Nélio; Freitas, Léa; Platt, Gustavo Mendes

doi:10.1002/aic.10119

Cited by 43 publications

(61 citation statements)

References 36 publications

(51 reference statements)

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…It is necessary to know the thermodynamic critical properties of bioactive components for adequate design of reactors and separation equipment involved in supercritical fluid extraction (SCFE) and in enhancement of yield of the nutraceuticals. Properties like critical volume, critical pressure, critical temperature, melting point, boiling point, compressibility factor and acentric factor are of practical importance as they are the basis for the estimation of solubility of pure component or mixture in supercritical fluid (SCF) by equation of state (Henderson et al 2004). Commercial feasibility of most of the SCFE extraction process depends on solubility of the desired component in the supercritical fluid.…”

Section: Introductionmentioning

confidence: 99%

Modelling solubility of phenolics of mango ginger extract in supercritical carbon dioxide using equation of state and empirical models

Murthy

Manohar

2014

J Food Sci Technol

View full text Add to dashboard Cite

Solubility of phenolics of mango ginger extract in supercritical carbon dioxide was studied at 40-60°C and 100-350 bar. Critical temperature, critical pressure and critical volume of caffeic acid, the principal component of the extract were calculated using group contribution methods and compared with the values obtained by CHEMDRAW®. Vapor pressure of caffeic acid was predicted by Reidel method. Solubility prediction in supercritical carbon dioxide was studied using two different equation of states (EOS) models and eight empirical models. Peng-Robinson EOS predicted the solubility very well with average deviation of 0.68 % from the experimental solubility. Empirical equations based on the simple error minimization using non-linear regression method which do not require complex physiochemical properties was also found suitable to predict the solubility at different extraction conditions. Jouyban et al. model showed very less deviation (2.25 %) for predicted solubility values from the experiment.

show abstract

Section: Introductionmentioning

confidence: 99%

Modelling solubility of phenolics of mango ginger extract in supercritical carbon dioxide using equation of state and empirical models

Murthy

Manohar

2014

J Food Sci Technol

View full text Add to dashboard Cite

show abstract

“…There are also other similar repulsion techniques presented in [8] and [12]- [14]. In this paper, we only use the abovementioned three repulsion techniques; other repulsion techniques are not described to save space.…”

Section: A Repulsion Techniques For Nessmentioning

confidence: 99%

“…As mentioned in Section II-A, the repulsion techniques are able to construct the areas of repulsion around the found roots. Based on the repulsion techniques, different methods are designed to find multiple roots of NESs, such as continuous GRASP [7], two-phase root-finder using IWO [9], improved harmony search (I-HS) algorithm [11], multistart simulated annealing [12], Nelder-Mead (N-M)-based repulsion algorithm [14], and biased random-key GA [35].…”

Section: A Related Workmentioning

confidence: 99%

Finding Multiple Roots of Nonlinear Equation Systems via a Repulsion-Based Adaptive Differential Evolution

Gong

Wang

Cai

et al. 2020

IEEE Trans. Syst. Man Cybern, Syst.

View full text Add to dashboard Cite

Abstract-Finding multiple roots of nonlinear equation systems (NESs) in a single run is one of the most important challenges in numerical computation. We tackle this challenging task by combining the strengths of the repulsion technique, diversity preservation mechanism, and adaptive parameter control. First, the repulsion technique motivates the population to find new roots by repulsing the regions surrounding the previously found roots. However, to find as many roots as possible, algorithm designers need to address a key issue: how to maintain the diversity of the population. To this end, the diversity preservation mechanism is integrated into our approach, which consists of the neighborhood mutation and the crowding selection. In addition, we further improve the performance by incorporating the adaptive parameter control. The purpose is to enhance the search ability and remedy the trial-and-error tuning of the parameters of differential evolution (DE) for different problems. By assembling the above three aspects together, we propose a repulsion-based adaptive DE, called RADE, for finding multiple roots of NESs in a single run. To evaluate the performance of RADE, 30 NESs with diverse features are chosen from the literature as the test suite. Experimental results reveal that RADE is able to find multiple roots simultaneously in a single run on all the test problems. Moreover, RADE is capable of providing better results than the compared methods in terms of both root rate and success rate.

show abstract

“…Benito et al (2001) also used the Heidmann and Khalil criteria for critical points of binary and ternary system in conjunction with a numerical technique based on the interval Newton analysis method. Henderson et al (2004) formulated the critical points as an optimization problem, which was solved by the simulated annealing algorithm. In their method, the independent variables are the pressure and temperature.…”

Section: Introductionmentioning

confidence: 99%

Computation of liquid-vapor critical points for multi-component mixtures

Jia¹

2012

Int. J. Thermo

View full text Add to dashboard Cite

Liquid-vapor critical point for a thermodynamic mixture is an important parameter for the design of mixture transportation and processing. The classical critical points model for the multicomponent mixture is based on the tangent plane distance in terms of the Helmholtz energy. In this work, we have applied the damped Newton-Raphson scheme to solve the model using the critical temperature, critical specific volume and change in mole fraction of each component as independent variables. According to numerical experiments, the convergence criteria, initial guesses of variables and damped factor formulation were determined. The method was tested on twenty five mixtures containing two to eleven components using the SRK and PR equation of state. Comparisons between the calculated critical parameters and experimental values illustrated the overall accuracy of the solution method is satisfactory. This method can solve all the variables simultaneously using the whole iteration, which is more reliable than the nested two-singe variable loops method proposed by Heidemann and Khalil. Thus it can be used for practical purposes of locating the liquid-vapor critical points of multi-component mixtures.

show abstract

Prediction of critical points: A new methodology using global optimization

Abstract: In the present work we develop, implement, and

Cited by 43 publications

References 36 publications

Modelling solubility of phenolics of mango ginger extract in supercritical carbon dioxide using equation of state and empirical models

Modelling solubility of phenolics of mango ginger extract in supercritical carbon dioxide using equation of state and empirical models

Finding Multiple Roots of Nonlinear Equation Systems via a Repulsion-Based Adaptive Differential Evolution

Computation of liquid-vapor critical points for multi-component mixtures

Contact Info

Product

Resources

About