María Del Mar Olaya

• University of Alicante

Similar to previous MatLab Graphical User Interfaces (GUI’s) developed to systematically check the consistency of LLE data correlation results, GMcal_TieLinesLL (v.2.2) [http://rua.ua.es/dspace/handle/10045/51725], or Boundaries_LL_NRTL [http://hdl.handle.net/10045/121471] for the analysis of the miscibility boundaries that the NRTL model present,...

TOPOLOGICAL ANALYSIS OF THE GM FUNCTION IN LIQUID-LIQUID EQUILIBRIUM CORRELATION DATA FOR TERNARY AND BINARY SYSTEMS (NEW VERSION 2.2). RUA 2022: http://hdl.handle.net/10045/51725 A single and very easy to use Graphical User Interface (GMcal_TieLinesLL) based on the topological information contained in the Gibbs energy of mixing function has bee...

In a similar way to the previous Graphical User Interface (GUI) developed to systematically check the consistency of LLE data correlation results, GMcal_TieLinesLL v.2.2 [http://rua.ua.es/dspace/handle/10045/51725], this second Graphical User Interface (Boundaries_LL_NRTL: http://hdl.handle.net/10045/121471) has been developed as a friendly tool fo...

Ionic liquids are being proposed for the improvement of many refinery-related applications where water and oil coexist. However, the lack of relevant thermodynamic data on equilibrium processes involving water, oil and an ionic liquid is a stumbling block. Phase diagrams of these systems are complex, with many different regions, especially when the...

The necessity of using a pressure (P) or temperature (T) dependence in the Gibbs energy of mixing of the liquid phase (g M,L ) for some isothermal (or isobaric) VLE data sets, respectively, is discussed in this paper. A graphical representation, directly obtained from the experimental data, is proposed as a method to clearly classify the behaviour...

Running vapor-liquid equilibrium (VLE) data correlation with interaction parameters independent of temperature is a common practice that may lead to incongruous situations, which may remain unnoticed. A non-negligible number of VLE data sets for binary systems appear very poorly correlated in literature by using any of the existing models with cons...

The correlation of experimental equilibrium data by using any thermodynamic model is an essential task in order to allow the optimal design or simulation of the equipment or processess where that equilibrium is present. In this sense, the quality of the calculations made, especially in liquid-liquid equilibrium systems, depends strongly on the accu...

http://hdl.handle.net/10045/5990 El presente trabajo pretende mostrar la utilización de una herramienta gráfica para consolidar, por ejemplo en estudios de Ingeniería Química y Química, los aspectos fundamentales del cálculo del equilibrio entre fases condensadas y el criterio de isoactividad, necesarios para la correcta utilización de cualquier mo...

The review of a representative number of papers published in recent years that include the correlation of experimental liquid-liquid equilibrium (LLE) data has been carried out, after detecting serious inconsistencies in some of the parameters recently published. The result of this analysis shows that surprisingly many published parameters and calc...

The difficulty in achieving a good thermodynamic description of phase equilibria is finding a model that can be extended to a large variety of chemical families and conditions. This problem worsens in the case of systems containing more than two phases or involving complex compounds such as ionic liquids. However, there are interesting applications...

The analysis has been carried out of the possible theoretical types of ternary systems regarding the distillation boundaries, for systems involving up to three binary azeotropes and one ternary azeotrope. The study reveals that there are some of these theoretical behaviors that classical activity coefficient models such as NRTL cannot predict. The...

Simultaneous correlation of vapour–liquid–liquid equilibrium (VLLE) data is hardly ever attempted in literature with one common set of parameters for all the equilibrium regions present in the systems. It is common practice to obtain different sets of parameters for VLE, LLE and VLLE regions when experimental equilibrium data for ternary systems ar...

URI: http://hdl.handle.net/10045/50110

The thermodynamic consistency of almost 90 VLE data series, including isothermal and isobaric conditions for systems of both total and partial miscibility in the liquid phase, has been examined by means of the area and point-to-point tests. In addition, the Gibbs energy of mixing function calculated from these experimental data has been inspected,...

This work reviews the thermodynamic criteria for incipient immiscibility at the plait point in ternary systems, and also shows its application to singular LL equilibria, such as different type 3 ternary systems (Treybal classification), where an inadequate use of the criteria could yield to ambiguities.

The Open Thermodynamics Journal - Special Issue (DOI: 10.2174/1874396X01105010048) http://www.benthamscience.com/open/totherj/articles/V005/SI0016TOTHERJ/48TOTHERJ.pdf Repositorio Institucional RUA: http://hdl.handle.net/10045/19865

As it is very well known, especially when dealing with the simulation and design of distillation processes and columns, it is essential to know the limitations defined by the vapor–liquid equilibrium (VLE) of the system under consideration. This paper uses a new straightforward algorithm to calculate and completely define the distillation boundarie...

Accurate description of VLE (and VLLE) plays an essential role in many industrial separation processes. Local composition models for the activity coefficient description, such as NRTL and UNIQUAC, have contributed significantly over the past four decades toward the fitting of experimental VLE data, for example, to the design of distillation towers....

The existing commercial software packages for equilibrium data correlation, or analogous tools included in chemical process simulators, have been widely used and their extensive capabilities are well-known. Nevertheless, and as far as LLE calculations are concerned, they have been designed for the simplest equilibrium behavior. For example, for ter...

Local composition models like UNIQUAC, NRTL and the UNIFAC group contribution method are used the world over in the synthesis and design of separation processes, as well as for a large number of other applications of industrial interest. They can qualitatively describe the equilibrium behaviour of systems of different complexities but, sometimes, n...

The vapor-liquid equilibria (VLE) have been analyzed by using the Gibbs common tangent plane criterion using Excel and Matlab. The constant pressure T-x,y diagram can be obtained by calculating the bubble temperatures (T b) of the various liquid mixture compositions (x1), and also by calculating the composition of the equilibrium vapor phase (y 1)....

Repositorio Institucional RUA: http://hdl.handle.net/10045/17576 The existing commercial software packages (like Dechema Data Preparation Package (DPP) and the regression utilities of Chemical Engineering simulators like Chemcad) have been widely used and their extensive capabilities are well-known. Nevertheless, and as long as LLE calculations is...

Repositorio Institucional RUA: http://hdl.handle.net/10045/14276 In many cases, it is interesting to have the possibility of using explicit equation to calculate or reproduce the phase equilibrium compositions, particularly when dealing with optimization algorithms to simulate or design separation processes or their industrial equipment such as dis...

Equilibrium data for type 3 ternary systems comprising a liquid–liquid–liquid equilibrium region (LLLE tie-triangle) are not frequently correlated, as is evidenced by a lack of studies in the literature. In the present paper, a robust algorithm to calculate or correlate equilibrium data for this type of system is proposed. This algorithm is based o...

This paper presents the results of a liquid–liquid equilibrium data correlation for 11 ternary systems which have not been previously fitted using the NRTL model or, when they have, the results presented in the literature are inconsistent with the experimental behavior of the system. These ternary systems include mixtures with one or two partially...

Repositorio Institucional RUA: http://hdl.handle.net/10045/13316

Closed miscibility gaps in ternary liquid mixtures, at constant temperature and pressure, are obtained if phase separations occur only in the ternary region, whilst all binary mixtures involved in the system are completely miscible. This type of behaviour, although not very frequent, has been observed for a certain number of systems. Nevertheless,...

The condensed phase equilibrium behavior of water + organic solvent + salt systems, when different hydrates are formed in the solid phase, increases the number of equilibrium zones, substantially complicating the simultaneous correlation of the equilibrium data in all the existing regions. In this paper, a procedure to perform the correlation of th...

The simultaneous correlation of liquid−liquid (LL), liquid−solid (LS), and LLS equilibrium data for four water + organic solvent (alcohol or acetone) + inorganic salt (NaCl) ternary systems at 25 °C has been carried out. First, the NRTL equation was used to formulate the excess Gibbs energy (GE), assuming nondissociation of the dissolved salt in th...

An exercise to compute LLE data is presented to illustrate the problems that can arise when the isoactivity equilibrium condition is used in the LLE calculations. A much more efficient condition is obtained when isoactivity is combined with the common tangent line criterion, avoiding false solutions that correspond with very low values of the activ...

URL: http://iq.ua.es/Ponchon/

The crosslinking process of PE and EVA with different concentrations of a crosslinking agent (CA) has been studied. The extent of the crosslinking has been evaluated by gel fraction and density measurements. The different transitions involved in the thermal processing and decomposition have been studied by DSC and TGA and compared for all the mixtu...

The transitions and reactions involved in the thermal processing of binary mixtures of polyethylene and poly(ethylene-co-vinyl acetate) copolymers with different concentrations of a foaming agent (azodicarbonamide) were studied using differential scanning calorimetry (DSC). The effect of ZnO as a kicker also was discussed. The temperature at the ma...

En este trabajo se presenta una propuesta de desarrollo de materiales didácticos interactivos, en los que la utilización de las Tecnologías de la Información y la Comunicación (TIC) permita su aplicación tanto como herramienta de apoyo en la enseñanza convencional de este tipo de disciplinas, como material de autoaprendizaje que permita a los estud...

For Abstract see ChemInform Abstract in Full Text.

URL: http://iq.ua.es/McCabe-V2/

Experimental results at 25°C are reported for infinite-dilution distribution coefficients for 19 nonvolatile solutes between aqueous solution and three kinds of polymer films, and for their diffusion coefficients in the polymer matrix. The experiments were performed by coupling UV spectroscopy and gravimetric measurements with mass balances. The so...

Consistent vapour–liquid equilibrium (VLE) data for the binary system 1-propanol+1-pentanol and for the ternary system water + 1-propanol + 1-pentanol are reported at 101.3 kPa. An instrument using ultrasound to promote the emulsification of the partly miscible liquid phases have been used in the determination of the vapour–liquid–liquid equilibriu...

In this work, the catalytic decomposition of several polyethylenes (PE) over a solid acid catalyst (MCM-41) has been studied. For this study, samples of PE with different characteristics (i.e. density and melt flow index) were selected. Thermogravimetry curves have been obtained at several heating rates and using different MCM-41 percentages. The c...

Because there is no simple, general method for measuring solubilities of nonvolatile solutes in a polymer, this work presents a thermodynamic framework for estimating such solubilities from infinite-dilution distribution-coefficient data for aqueous solutions of the solute in equilibrium with the polymer. The experimental infinite-dilution distribu...

Isobaric vapor−liquid equilibrium data have been measured for the 2-propanol + methyl ethyl ketone binary system and for the 1-butanol + 2-propanol + methyl ethyl ketone ternary system at 101.3 kPa in a temperature range from 351 to 382 K. The data were found to be thermodynamically consistent according to the point to point L−W method of Wisniak....

A new procedure has been suggested and applied to the simultaneous correlation of the experimental data corresponding to all equilibrium regions in ternary systems involving a solid compound. The analysis of the form of the Gibbs energy function permits the validity of the parameters calculated with any particular model to be verified and can be us...

A new numerical method for the liquid−liquid extraction design has been developed and applied to quaternary systems. The method directly calculates the optimum number of equilibrium stages for a specified composition of the solutes in the product stream as well as the solvent flow rate, which satisfies the overall balance and the stage to stage cal...

Salting-out effect can be used to improve the extraction of some solutes by modifying the solute distribution between two liquid phases. In this work we report the results obtained for the quaternary system water+ethanol+1-pentanol+sodium chloride at 25°C. All equilibrium regions (one liquid, two liquids, one liquid+one solid and two liquids+one so...

Póster presentado en el congreso EQUIFASE 99 (Vigo, del 20 al 24 de Junio de 1999). Resumen publicado en el libro de actas del Congreso An algebraic correlation method to calculate equilibrium data for ternary vapor-liquid equilibrium and quaternary liquid-liquid equilibrium has been proposed. The proposed method allows the calculation of the conju...

Comunicación presentada en EQUIFASE 99, V Conferencia Iberoamericana sobre el Equilibrio entre Fases para el Diseño de Procesos. Resumen publicado en el libro de actas del congreso The complexity and variety of possible behaviours of the quaternary liquid-liquid, liquid-liquid-solid equilibrium at constant temperature and pressure and the ternary i...

Póster presentado en el congreso EQUIFASE 99 (Vigo, del 20 al 24 de Junio de 1999). Resumen publicado en el libro de actas del Congreso The problematic nature of the calculation of phase equilibria is very well known and much literature has been written in this respect. Different aspects have been covered and the treatment of the liquid-liquid and...

Póster presentado en el congreso EQUIFASE 99 (Vigo, del 20 al 24 de Junio de 1999). Resumen publicado en el libro de actas del Congreso A new method for the liquid-liquid extraction design has been developed and applied to quaternary systems. The method is based on the geometrical concepts of the Ponchon and Savarit method for binary systems. A cor...

The liquid−liquid−solid equilibria in the two-liquid and two-liquid + one-solid quaternary regions for the quaternary system water + ethanol + 1-butanol + potassium chloride at 25 °C have been determined. Distribution and selectivity curves are represented for this system, and they are compared with those previously obtained for the water + ethanol...

The problematic nature of the calculation of phase equilibria involving solid components is discussed. The concept of ‘the stability criterion’, as introduced, accounts for the necessity of a suitable set of parameters for any given activity coefficient model, yielding an appropriate shape of the Gibbs energy function in the whole domain of the equ...

The liquid−liquid−solid equilibria for the quaternary system water + acetone + 1-butanol + sodium chloride at 25 °C have been determined. Tie-line and tie-triangle data for this system have been correlated using a modification of the Eisen−Joffe equation.

The methodology for the study of the liquid-liquid-solid equilibrium of quaternary systems has been reviewed and applied to the water-ethanol-1-butanol-sodium chloride system at 25°C. All the equilibrium regions have been systematically studied. Tie-line data have been correlated using a modification of the Eisen-Joffe equation.