Gloria Costa - Academia.edu (original) (raw)

Papers by Gloria Costa

Research paper thumbnail of Estudio descriptivo del cribado de cromosomopatías en el primer trimestre de la gestación, en el Hospital Clínico San Carlos de Madrid, España

Revista chilena de obstetricia y ginecología, 2011

Research paper thumbnail of Measurement and modelling of binary (solid+liquid+vapour) equilibria involving lipids and CO2

The Journal of Chemical Thermodynamics, 2014

The development of solid lipid nanoparticles (SLN) using supercritical fluid at room temperature ... more The development of solid lipid nanoparticles (SLN) using supercritical fluid at room temperature is an innovative alternative compared to traditional pharmaceutical methods and the safety and drug efficacy of SLN made using supercritical CO 2 is increased. One of the micronization techniques which have provided the best results in the production of SLN is particles from gas-saturated solution (PGSS). The solid-liquid-vapour coexistence curve of a solid in a compressed gas is of primary importance in assessing the feasibility of PGSS and the selection of appropriate operating conditions. The objectives of this work are to perform experimental measurements using a high pressure differential scanning calorimeter (DSC) to obtain melting properties as a function of composition and develop a simplified approach to model multiphase equilibria of lipids in compressed CO 2. The selected lipid was tristearin. Before assessment of triestearin and CO 2 phase equilibrium, the performance of this thermodynamic model was evaluated in two other lipids which provided results with high accuracy.

Research paper thumbnail of Monte Carlo Risk Assessment of Formation Damage Caused by Asphaltene Deposition

SPE Production & Operations, 2021

Summary Uncertainties regarding the factors that influence asphaltene deposition in porous media ... more Summary Uncertainties regarding the factors that influence asphaltene deposition in porous media (e.g., those resulting from oil composition, rock properties, and rock/fluid interaction) strongly affect the prediction of important variables, such as oil production. Besides, some aspects of these predictions are stochastic processes, such as the aggregation phenomenon of asphaltene precipitates. For this reason, a well-defined output from an asphaltene-deposition model might not be feasible. Instead of this, obtaining the probability distribution of important outputs (e.g., permeability reduction and oil production) should be the objective of rigorous modeling of this phenomenon. This probability distribution would support the design of a risk-based policy for the prevention and mitigation of asphaltene deposition. In this paper we aim to present a new approach to assessing the risk of formation damage caused by asphaltene deposition using Monte Carlo simulations. Using this approach...

Research paper thumbnail of Improvement of the Expanded Fluid Viscosity Model for Crude Oils: Effects of the Plus-Fraction Characterization Method and Density

Energy & Fuels, 2018

The expanded fluid (EF) model is known for its capacity to calculate the viscosity of crude oil a... more The expanded fluid (EF) model is known for its capacity to calculate the viscosity of crude oil and its mixtures with solvents at high pressure and temperature, using a cubic equation of state (CEOS) with a minimum amount of experimental data. The main drawback of the EF model is usually the requirement of a proper plus-fraction characterization and accurate density input data. In this study, the sensitivity of the EF model related to the characterization methods and the density of the oils was evaluated against viscosity data of reservoir fluids. Oil viscosity was calculated above and below the saturation pressure in order to compare the EF model with other viscosity models available in the literature. The results confirmed that viscosity strongly depends on the quality of density predictions as well as on a good description of phase behavior below the saturation pressure. This demonstrates that a proper characterization is needed to calculate the oil viscosity accurately. Furthermore, a new tuning method with minimum experimental data improved the viscosity prediction as a function of pressure.

Research paper thumbnail of Prediction of Thermodynamic Properties of CO2 by Cubic and Multiparameter Equations of State for Fluid Dynamics Applications

Journal of Chemical & Engineering Data, 2019

This paper makes a comprehensive analysis of equations of state (EOS) for the prediction of therm... more This paper makes a comprehensive analysis of equations of state (EOS) for the prediction of thermodynamic properties of CO 2 which play a key role in fluid dynamics calculations: molar volume, throttling temperature, inversion curve, and velocity of sound. The cubic EOS Peng−Robinson and Soave−Redlich−Kwong are compared with the multiparameter Huang and Sterner and Pitzer EOS. We further propose a method to compute the throttling temperature, which relies on the residual property, unlike the usual practice which solely computes the Joule-Thomson coefficient or the inversion curve. The predicted properties are compared with experimental data from literature to verify the best EOS at different temperatures and pressure conditions for each investigated property. The Huang EOS is the best at predicting the molar volume, especially in supercritical conditions, and the inversion curve. The cubic EOS predict the throttling temperature with greater accuracy. The Sterner and Pitzer EOS outperforms the others when predicting the velocity of sound, especially in conditions near and above the critical point. These multiparameter EOS seem to balance the trade-off between complexity and accuracy. These findings might be useful for designing and monitoring processes that use CO 2 over a wide range of temperature and pressure conditions.

Research paper thumbnail of Calculation of Bubble Pressure for Crude Oils: The Effect of q-Weibull Distribution for Splitting the Heavy Fraction

Journal of Chemical & Engineering Data, 2019

Thermodynamic calculations involving crude oils require a proper characterization of the heavy-fr... more Thermodynamic calculations involving crude oils require a proper characterization of the heavy-fraction in order to describe the phase behavior. Bubble pressure is a key property, and its calculation depends on splitting the heavyfraction of the crude oil through a distribution function to obtain properties such as molecular weight and specific gravity. Small changes in these properties can significantly affect phase behavior calculations. The exponential and gamma distributions are the most used for splitting but they fail in characterizing many oils. Alternatively, the q-Weibull distribution is proposed to the splitting step instead of the exponential and gamma distributions in order to calculate the molecular weight and specific gravity. These three distributions are critically tested and compared for 13 oils with extended composition selected from the literature, stressing the effect of the characterization methods on the calculation of bubble pressure for reservoir fluids.

Research paper thumbnail of Modeling of the Asphaltene Onset Pressure from Few Experimental Data: A Comparative Evaluation of the Hirschberg Method and the Cubic-Plus-Association Equation of State

Energy & Fuels, 2018

Asphaltene onset pressure (AOP) is a key parameter to determine flow assurance of live oils. In t... more Asphaltene onset pressure (AOP) is a key parameter to determine flow assurance of live oils. In this study the capabilities of the Cubic-Plus-Association (CPA) equation of state (EoS) and the Hirschberg method of calculating the AOP of five oils are compared with a new approach using few experimental data. Two experimental data points of AOP and only one of bubble pressure (BP) are required for adequate parameterization of both models. The number of non-zero binary interaction parameters needed for the CPA EoS is reduced to only four binary pairs. In the Hirschberg method the BP calculations were performed with Soave-Redlich-Kwong EoS. For all oils, the CPA EoS provided lower deviations for both AOP and BP. To achieve a good correlation, the Hirschberg method requires the use of AOP experimental data to calculate the difference between the liquid phase solubility parameter and the asphaltene solubility parameter. Similarly,

Research paper thumbnail of High-Pressure Modeling of Asphaltene Precipitation during Oil Depletion Based on the Solid Model

Energy & Fuels, 2017

Asphaltene precipitation is a complex and serious problem in all sectors of the oil industry beca... more Asphaltene precipitation is a complex and serious problem in all sectors of the oil industry because it has a severe and detrimental impact on oil production. Thus, it is crucial to investigate under which conditions asphaltenes precipitate in order to prevent or mitigate the effects. Several approaches have been reported in the literature regarding the modeling of asphaltene precipitation during oil production. The simplest one is the single-component solid model in which the precipitated asphaltene is considered a pure solid and the oil and gas phases are described by a cubic equation of state (EOS). These are the basic assumptions of the Nghiem and Coombe's model. In this paper, based on this model, we make numerous improvements and simplifications such as reducing the number of parameters to be estimated and considering that the number of asphaltene fractions can vary according to the oil characteristics. The characterization method is performed using the exponential distribution and only the binary interaction parameter is fitted to the experimental oil saturation pressure data. The reference pressure is calculated according to de Boer's method instead of only extrapolating precipitation

Research paper thumbnail of Evaluation and Improvement of Screening Methods Applied to Asphaltene Precipitation

Energy & Fuels, 2017

9 10 This study aims to evaluate the performance of the four most known screening methods 11 used... more 9 10 This study aims to evaluate the performance of the four most known screening methods 11 used to predict the risk of asphaltene precipitation in crude oil employing a large 12 database from literature. The selection of these methods was based on the amount of 13 property data required for their application. Most methods reported in literature use 14 SARA analysis as the property to monitor the stability of the oil with respect to 15 asphaltene precipitation. Other methods require temperature, pressure and oil density 16 data to indicate the risk of asphaltene precipitation. Results showed inconsistency for 17 two of the four screening methods selected and improvements were proposed and 18 successfully validated. 19 20

Research paper thumbnail of Computational Aspects for Optimization of High Pressure Phase Equilibrium for Polymer Industrial Systems

Computer Aided Chemical Engineering, 2009

... 10th International Symposium on Process Systems Engineering - PSE2009 Rita Maria de Brito Alv... more ... 10th International Symposium on Process Systems Engineering - PSE2009 Rita Maria de Brito Alves, Claudio Augusto Oller do Nascimento and Evaristo Chalbaud Biscaia Jr. ... Polymer Industrial Systems Gloria MN Costa,a,* Yuri Guerrieri,b Simão Kislansky,b Silvio AB Vieira ...

Research paper thumbnail of Computation of Crossover Pressure for Synthesis of Supercritical Fluid Separation Systems

Computer Aided Chemical Engineering, 2009

... PSE2009 Rita Maria de Brito Alves, Claudio Augusto Oller do Nascimento and Evaristo Chalbaud ... more ... PSE2009 Rita Maria de Brito Alves, Claudio Augusto Oller do Nascimento and Evaristo Chalbaud Biscaia Jr. (Editors) © 2009 Elsevier BV All rights reserved. Computation of Crossover Pressure for Synthesis of Supercritical Fluid Separation Systems Silvio AB Vieira de Melo, a ...

Research paper thumbnail of Solubility of l-Dopa in supercritical carbon dioxide: prediction using a cubic equation of state

The Journal of Supercritical Fluids, 2005

An alternative way is presented to evaluate the possibility of supercritical fluid extraction of ... more An alternative way is presented to evaluate the possibility of supercritical fluid extraction of a solute when no experimental data on solubility is available. To predict the solubility of l-Dopa (a drug commonly used for the treatment of Parkinson's disease) in supercritical CO 2 , the Peng-Robinson equation of state is applied in a fully predictive way with UNIFAC group contribution activity coefficient model incorporated in its mixing rules using the linear combination of Vidal and Michelsen (LCVM) procedure. Experimental solubility data of caffeic acid in SC-CO 2 is used as the reference basis for this methodology and the results for l-Dopa solubility suggest further experimental studies.

Research paper thumbnail of Modeling the Saturation Pressure of Systems Containing Crude Oils and CO2Using the SRK Equation of State

Journal of Chemical & Engineering Data, 2019

Research paper thumbnail of Análise Da Influência Da Densidade Da Mistura Na Modelagem Da Expansão Volumétrica De Solventes Orgânicos Usando CO2 a Alta Pressão

Anais do XX Congresso Brasileiro de Engenharia Química, 2015

RESUMO-A análise da influência da densidade da mistura na modelagem da expansão volumétrica para ... more RESUMO-A análise da influência da densidade da mistura na modelagem da expansão volumétrica para quatro solventes orgânicos expandidos por CO 2 a alta pressão é o foco desse trabalho. O comportamento da expansão volumétrica é observado através de termos calculados em função da densidade, para se determinarem quais são os pontos onde o erro da expansão vai ser maior ou menor, bem como se esse erro tem uma tendência crescente ou decrescente. Os resultados obtidos são de grande utilidade para o dimensionamento dos vasos de precipitação em processos que utilizam solventes orgânicos expandidos por CO 2 denso.

Research paper thumbnail of An improved method for calculating CO2 minimum miscibility pressure based on solubility parameter

Journal of Petroleum Science and Engineering, 2012

Research paper thumbnail of Solubility of solids in supercritical fluids using equations of state--excess Gibbs free energy models

Process Technology Proceedings, 1996

Solubilities of several organic solids in four supercritical fluids are calculated with Soave and... more Solubilities of several organic solids in four supercritical fluids are calculated with Soave and Peng-Robinson equations of state, incorporating excess Gibbs free energy into the mixing rules, with Heidemann-Kokal, Wong-Sandler and MHV2 procedures. Three excess Gibbs free energy models are used in the mixing rules: NRTL, UNIQUAC and UNIFAC. Furthermore, a comparison between these mixing rules and conventional two-binary-parameter form and modification of the excluded volume parameter in the MHV2 procedure is also presented. The best result were obtained with NRTL model and the Wong-Sandler mixing rule.

Research paper thumbnail of A Survey of Equations of State for Polymers

Polymerization, 2012

Cubic Equations of State [Huron and Vidal (HV) Mixing Rule (MR); Sako-Wu-Prausnitz (SWP) Equation... more Cubic Equations of State [Huron and Vidal (HV) Mixing Rule (MR); Sako-Wu-Prausnitz (SWP) Equation; Wong and Sandler (WS) MR; vdW Applied to Polymer Solutions (vdW-P) by Kontogeorgis, Harismiadis, Fredeslund and Tassios; Linear Combination of Vidal and Michelsen (LCVM) Mixing Rules by Boukouvalas, Spiliots, Coutsikos, Tzouvaras and Tassios; Zhong and Masuoka (ZM) MR]  Lattice Models [Flory-Huggins (FH); Sanchez and Lacombe (SL) equation; key Modifications and Applications (MA) of SL by KIeintjens and

Research paper thumbnail of Modeling high pressure vapor-liquid equilibrium of ternary systems containing supercritical CO2 and mixed organic solvents using Peng-Robinson equation of state

The Journal of Supercritical Fluids, 2014

High pressure vapor-liquid equilibrium (VLE) of CO 2-expanded organic solvents was investigated u... more High pressure vapor-liquid equilibrium (VLE) of CO 2-expanded organic solvents was investigated using Peng-Robinson-LCVM-UNIFAC equation of state. Bubble pressure of several ternary mixtures was predicted using this model and correlations were developed based only on binary experimental data. A sensitivity study of the LCVM parameter numerical value was done by considering the coherence between the mathematical features of the mixing rule and the quality of the simulation. The results provided by PR-LCVM-UNIFAC were compared with those ones given by Peng-Robinson equation of state using the classical quadratic mixing rules (PR-CMR). Despite the use of two adjustable parameters for each binary system, PR-CMR is not able to provide good results when applied to ternary systems. The capability of PR-LCVM-UNIFAC model to predict liquid mixture density for ternary systems using parameters regressed only from bubble pressure experimental data was also investigated. Due to the lack of liquid density experimental data, it was possible to perform only a qualitative assessment of the density curves calculated by this equation of state.

Research paper thumbnail of Estudio descriptivo del cribado de cromosomopatías en el primer trimestre de la gestación, en el Hospital Clínico San Carlos de Madrid, España

Revista chilena de obstetricia y ginecología, 2011

Research paper thumbnail of Measurement and modelling of binary (solid+liquid+vapour) equilibria involving lipids and CO2

The Journal of Chemical Thermodynamics, 2014

The development of solid lipid nanoparticles (SLN) using supercritical fluid at room temperature ... more The development of solid lipid nanoparticles (SLN) using supercritical fluid at room temperature is an innovative alternative compared to traditional pharmaceutical methods and the safety and drug efficacy of SLN made using supercritical CO 2 is increased. One of the micronization techniques which have provided the best results in the production of SLN is particles from gas-saturated solution (PGSS). The solid-liquid-vapour coexistence curve of a solid in a compressed gas is of primary importance in assessing the feasibility of PGSS and the selection of appropriate operating conditions. The objectives of this work are to perform experimental measurements using a high pressure differential scanning calorimeter (DSC) to obtain melting properties as a function of composition and develop a simplified approach to model multiphase equilibria of lipids in compressed CO 2. The selected lipid was tristearin. Before assessment of triestearin and CO 2 phase equilibrium, the performance of this thermodynamic model was evaluated in two other lipids which provided results with high accuracy.

Research paper thumbnail of Monte Carlo Risk Assessment of Formation Damage Caused by Asphaltene Deposition

SPE Production & Operations, 2021

Summary Uncertainties regarding the factors that influence asphaltene deposition in porous media ... more Summary Uncertainties regarding the factors that influence asphaltene deposition in porous media (e.g., those resulting from oil composition, rock properties, and rock/fluid interaction) strongly affect the prediction of important variables, such as oil production. Besides, some aspects of these predictions are stochastic processes, such as the aggregation phenomenon of asphaltene precipitates. For this reason, a well-defined output from an asphaltene-deposition model might not be feasible. Instead of this, obtaining the probability distribution of important outputs (e.g., permeability reduction and oil production) should be the objective of rigorous modeling of this phenomenon. This probability distribution would support the design of a risk-based policy for the prevention and mitigation of asphaltene deposition. In this paper we aim to present a new approach to assessing the risk of formation damage caused by asphaltene deposition using Monte Carlo simulations. Using this approach...

Research paper thumbnail of Improvement of the Expanded Fluid Viscosity Model for Crude Oils: Effects of the Plus-Fraction Characterization Method and Density

Energy & Fuels, 2018

The expanded fluid (EF) model is known for its capacity to calculate the viscosity of crude oil a... more The expanded fluid (EF) model is known for its capacity to calculate the viscosity of crude oil and its mixtures with solvents at high pressure and temperature, using a cubic equation of state (CEOS) with a minimum amount of experimental data. The main drawback of the EF model is usually the requirement of a proper plus-fraction characterization and accurate density input data. In this study, the sensitivity of the EF model related to the characterization methods and the density of the oils was evaluated against viscosity data of reservoir fluids. Oil viscosity was calculated above and below the saturation pressure in order to compare the EF model with other viscosity models available in the literature. The results confirmed that viscosity strongly depends on the quality of density predictions as well as on a good description of phase behavior below the saturation pressure. This demonstrates that a proper characterization is needed to calculate the oil viscosity accurately. Furthermore, a new tuning method with minimum experimental data improved the viscosity prediction as a function of pressure.

Research paper thumbnail of Prediction of Thermodynamic Properties of CO2 by Cubic and Multiparameter Equations of State for Fluid Dynamics Applications

Journal of Chemical & Engineering Data, 2019

This paper makes a comprehensive analysis of equations of state (EOS) for the prediction of therm... more This paper makes a comprehensive analysis of equations of state (EOS) for the prediction of thermodynamic properties of CO 2 which play a key role in fluid dynamics calculations: molar volume, throttling temperature, inversion curve, and velocity of sound. The cubic EOS Peng−Robinson and Soave−Redlich−Kwong are compared with the multiparameter Huang and Sterner and Pitzer EOS. We further propose a method to compute the throttling temperature, which relies on the residual property, unlike the usual practice which solely computes the Joule-Thomson coefficient or the inversion curve. The predicted properties are compared with experimental data from literature to verify the best EOS at different temperatures and pressure conditions for each investigated property. The Huang EOS is the best at predicting the molar volume, especially in supercritical conditions, and the inversion curve. The cubic EOS predict the throttling temperature with greater accuracy. The Sterner and Pitzer EOS outperforms the others when predicting the velocity of sound, especially in conditions near and above the critical point. These multiparameter EOS seem to balance the trade-off between complexity and accuracy. These findings might be useful for designing and monitoring processes that use CO 2 over a wide range of temperature and pressure conditions.

Research paper thumbnail of Calculation of Bubble Pressure for Crude Oils: The Effect of q-Weibull Distribution for Splitting the Heavy Fraction

Journal of Chemical & Engineering Data, 2019

Thermodynamic calculations involving crude oils require a proper characterization of the heavy-fr... more Thermodynamic calculations involving crude oils require a proper characterization of the heavy-fraction in order to describe the phase behavior. Bubble pressure is a key property, and its calculation depends on splitting the heavyfraction of the crude oil through a distribution function to obtain properties such as molecular weight and specific gravity. Small changes in these properties can significantly affect phase behavior calculations. The exponential and gamma distributions are the most used for splitting but they fail in characterizing many oils. Alternatively, the q-Weibull distribution is proposed to the splitting step instead of the exponential and gamma distributions in order to calculate the molecular weight and specific gravity. These three distributions are critically tested and compared for 13 oils with extended composition selected from the literature, stressing the effect of the characterization methods on the calculation of bubble pressure for reservoir fluids.

Research paper thumbnail of Modeling of the Asphaltene Onset Pressure from Few Experimental Data: A Comparative Evaluation of the Hirschberg Method and the Cubic-Plus-Association Equation of State

Energy & Fuels, 2018

Asphaltene onset pressure (AOP) is a key parameter to determine flow assurance of live oils. In t... more Asphaltene onset pressure (AOP) is a key parameter to determine flow assurance of live oils. In this study the capabilities of the Cubic-Plus-Association (CPA) equation of state (EoS) and the Hirschberg method of calculating the AOP of five oils are compared with a new approach using few experimental data. Two experimental data points of AOP and only one of bubble pressure (BP) are required for adequate parameterization of both models. The number of non-zero binary interaction parameters needed for the CPA EoS is reduced to only four binary pairs. In the Hirschberg method the BP calculations were performed with Soave-Redlich-Kwong EoS. For all oils, the CPA EoS provided lower deviations for both AOP and BP. To achieve a good correlation, the Hirschberg method requires the use of AOP experimental data to calculate the difference between the liquid phase solubility parameter and the asphaltene solubility parameter. Similarly,

Research paper thumbnail of High-Pressure Modeling of Asphaltene Precipitation during Oil Depletion Based on the Solid Model

Energy & Fuels, 2017

Asphaltene precipitation is a complex and serious problem in all sectors of the oil industry beca... more Asphaltene precipitation is a complex and serious problem in all sectors of the oil industry because it has a severe and detrimental impact on oil production. Thus, it is crucial to investigate under which conditions asphaltenes precipitate in order to prevent or mitigate the effects. Several approaches have been reported in the literature regarding the modeling of asphaltene precipitation during oil production. The simplest one is the single-component solid model in which the precipitated asphaltene is considered a pure solid and the oil and gas phases are described by a cubic equation of state (EOS). These are the basic assumptions of the Nghiem and Coombe's model. In this paper, based on this model, we make numerous improvements and simplifications such as reducing the number of parameters to be estimated and considering that the number of asphaltene fractions can vary according to the oil characteristics. The characterization method is performed using the exponential distribution and only the binary interaction parameter is fitted to the experimental oil saturation pressure data. The reference pressure is calculated according to de Boer's method instead of only extrapolating precipitation

Research paper thumbnail of Evaluation and Improvement of Screening Methods Applied to Asphaltene Precipitation

Energy & Fuels, 2017

9 10 This study aims to evaluate the performance of the four most known screening methods 11 used... more 9 10 This study aims to evaluate the performance of the four most known screening methods 11 used to predict the risk of asphaltene precipitation in crude oil employing a large 12 database from literature. The selection of these methods was based on the amount of 13 property data required for their application. Most methods reported in literature use 14 SARA analysis as the property to monitor the stability of the oil with respect to 15 asphaltene precipitation. Other methods require temperature, pressure and oil density 16 data to indicate the risk of asphaltene precipitation. Results showed inconsistency for 17 two of the four screening methods selected and improvements were proposed and 18 successfully validated. 19 20

Research paper thumbnail of Computational Aspects for Optimization of High Pressure Phase Equilibrium for Polymer Industrial Systems

Computer Aided Chemical Engineering, 2009

... 10th International Symposium on Process Systems Engineering - PSE2009 Rita Maria de Brito Alv... more ... 10th International Symposium on Process Systems Engineering - PSE2009 Rita Maria de Brito Alves, Claudio Augusto Oller do Nascimento and Evaristo Chalbaud Biscaia Jr. ... Polymer Industrial Systems Gloria MN Costa,a,* Yuri Guerrieri,b Simão Kislansky,b Silvio AB Vieira ...

Research paper thumbnail of Computation of Crossover Pressure for Synthesis of Supercritical Fluid Separation Systems

Computer Aided Chemical Engineering, 2009

... PSE2009 Rita Maria de Brito Alves, Claudio Augusto Oller do Nascimento and Evaristo Chalbaud ... more ... PSE2009 Rita Maria de Brito Alves, Claudio Augusto Oller do Nascimento and Evaristo Chalbaud Biscaia Jr. (Editors) © 2009 Elsevier BV All rights reserved. Computation of Crossover Pressure for Synthesis of Supercritical Fluid Separation Systems Silvio AB Vieira de Melo, a ...

Research paper thumbnail of Solubility of l-Dopa in supercritical carbon dioxide: prediction using a cubic equation of state

The Journal of Supercritical Fluids, 2005

An alternative way is presented to evaluate the possibility of supercritical fluid extraction of ... more An alternative way is presented to evaluate the possibility of supercritical fluid extraction of a solute when no experimental data on solubility is available. To predict the solubility of l-Dopa (a drug commonly used for the treatment of Parkinson's disease) in supercritical CO 2 , the Peng-Robinson equation of state is applied in a fully predictive way with UNIFAC group contribution activity coefficient model incorporated in its mixing rules using the linear combination of Vidal and Michelsen (LCVM) procedure. Experimental solubility data of caffeic acid in SC-CO 2 is used as the reference basis for this methodology and the results for l-Dopa solubility suggest further experimental studies.

Research paper thumbnail of Modeling the Saturation Pressure of Systems Containing Crude Oils and CO2Using the SRK Equation of State

Journal of Chemical & Engineering Data, 2019

Research paper thumbnail of Análise Da Influência Da Densidade Da Mistura Na Modelagem Da Expansão Volumétrica De Solventes Orgânicos Usando CO2 a Alta Pressão

Anais do XX Congresso Brasileiro de Engenharia Química, 2015

RESUMO-A análise da influência da densidade da mistura na modelagem da expansão volumétrica para ... more RESUMO-A análise da influência da densidade da mistura na modelagem da expansão volumétrica para quatro solventes orgânicos expandidos por CO 2 a alta pressão é o foco desse trabalho. O comportamento da expansão volumétrica é observado através de termos calculados em função da densidade, para se determinarem quais são os pontos onde o erro da expansão vai ser maior ou menor, bem como se esse erro tem uma tendência crescente ou decrescente. Os resultados obtidos são de grande utilidade para o dimensionamento dos vasos de precipitação em processos que utilizam solventes orgânicos expandidos por CO 2 denso.

Research paper thumbnail of An improved method for calculating CO2 minimum miscibility pressure based on solubility parameter

Journal of Petroleum Science and Engineering, 2012

Research paper thumbnail of Solubility of solids in supercritical fluids using equations of state--excess Gibbs free energy models

Process Technology Proceedings, 1996

Solubilities of several organic solids in four supercritical fluids are calculated with Soave and... more Solubilities of several organic solids in four supercritical fluids are calculated with Soave and Peng-Robinson equations of state, incorporating excess Gibbs free energy into the mixing rules, with Heidemann-Kokal, Wong-Sandler and MHV2 procedures. Three excess Gibbs free energy models are used in the mixing rules: NRTL, UNIQUAC and UNIFAC. Furthermore, a comparison between these mixing rules and conventional two-binary-parameter form and modification of the excluded volume parameter in the MHV2 procedure is also presented. The best result were obtained with NRTL model and the Wong-Sandler mixing rule.

Research paper thumbnail of A Survey of Equations of State for Polymers

Polymerization, 2012

Cubic Equations of State [Huron and Vidal (HV) Mixing Rule (MR); Sako-Wu-Prausnitz (SWP) Equation... more Cubic Equations of State [Huron and Vidal (HV) Mixing Rule (MR); Sako-Wu-Prausnitz (SWP) Equation; Wong and Sandler (WS) MR; vdW Applied to Polymer Solutions (vdW-P) by Kontogeorgis, Harismiadis, Fredeslund and Tassios; Linear Combination of Vidal and Michelsen (LCVM) Mixing Rules by Boukouvalas, Spiliots, Coutsikos, Tzouvaras and Tassios; Zhong and Masuoka (ZM) MR]  Lattice Models [Flory-Huggins (FH); Sanchez and Lacombe (SL) equation; key Modifications and Applications (MA) of SL by KIeintjens and

Research paper thumbnail of Modeling high pressure vapor-liquid equilibrium of ternary systems containing supercritical CO2 and mixed organic solvents using Peng-Robinson equation of state

The Journal of Supercritical Fluids, 2014

High pressure vapor-liquid equilibrium (VLE) of CO 2-expanded organic solvents was investigated u... more High pressure vapor-liquid equilibrium (VLE) of CO 2-expanded organic solvents was investigated using Peng-Robinson-LCVM-UNIFAC equation of state. Bubble pressure of several ternary mixtures was predicted using this model and correlations were developed based only on binary experimental data. A sensitivity study of the LCVM parameter numerical value was done by considering the coherence between the mathematical features of the mixing rule and the quality of the simulation. The results provided by PR-LCVM-UNIFAC were compared with those ones given by Peng-Robinson equation of state using the classical quadratic mixing rules (PR-CMR). Despite the use of two adjustable parameters for each binary system, PR-CMR is not able to provide good results when applied to ternary systems. The capability of PR-LCVM-UNIFAC model to predict liquid mixture density for ternary systems using parameters regressed only from bubble pressure experimental data was also investigated. Due to the lack of liquid density experimental data, it was possible to perform only a qualitative assessment of the density curves calculated by this equation of state.