Rigorous design of distillation columns using surrogate models based on Kriging interpolation

The economic design of a distillation column or distillation sequences is a challenging problem that has been addressed by superstructure approaches. However, these methods have not been widely used because they lead to mixed-integer nonlinear programs that are hard to solve, and require complex initialization procedures. In this article, we propose to address this challenging problem by substituting the distillation columns by Kriging-based surrogate models generated via state of the art distillation models. We study different columns with increasing difficulty, and show that it is possible to get accurate Kriging-based surrogate models. The optimization strategy ensures that convergence to a local optimum is guaranteed for numerical noise-free models. For distillation columns (slightly noisy systems), Karush–Kuhn–Tucker optimality conditions cannot be tested directly on the actual model, but still we can guarantee a local minimum in a trust region of the surrogate model that contains the actual local minimum.

Uso de Google Calendar para la coordinación entre asignaturas del Grado en Ingeniería Química

Uno de los aspectos peor valorados por los estudiantes de las nuevas titulaciones de grado es la coordinación entre asignaturas del mismo curso en cuanto a la distribución de controles y otro tipo de pruebas objetivas a lo largo del cuatrimestre, que afecta a la carga de trabajo no presencial en determinados momentos. En la guía docente de cada asignatura aparece la información sobre las pruebas a realizar dentro de un cronograma aproximado por semanas, y está disponible antes del comienzo del curso. Sin embargo, esa distribución puede variar ligeramente una vez empezado el curso debido a diversos motivos, y no se dispone de la información para todas las asignaturas del cuatrimestre en un mismo documento, lo que facilitaría su visualización. En este trabajo se propone el uso de la herramienta Google Calendar con el objetivo de tener un mayor control de este aspecto y poder detectar y corregir conflictos que puedan surgir, aplicándolo al Grado en Ingeniería Química.

X lberoamerican Conference on Phase Equilibria and Fluid Properties for Process Design (EQUIFASE): June 28-July 1, 2015 - Alicante (Spain): Book of Abstracts

The general purpose of the EQUIFASE Conference is to promote the Scientific and Technologic exchange between people from both the academic and the industrial environment in the field of Phase Equilibria and Thermodynamic Properties for the Design of Chemical Processes. Topics: Measurement of Thermodynamic Properties. Phase Equilibria and Chemical Equilibria. Theory and Modelling. Alternative Solvents. Supercritical Fluids. Ionic Liquids. Energy. Gas and oil. Petrochemicals. Environment and sustainability. Biomolecules and Biotechnology. Product and Process Design. Databases and Software. Education.

Graphical User Interface (GUI) for the representation of GM surfaces (using the NRTL model) and curves, including tie-lines and Hessian matrix

A single and very easy to use Graphical User Interface (GUI- MATLAB) based on the topological information contained in the Gibbs energy of mixing function has been developed as a friendly tool to check the coherence of NRTL parameters obtained in a correlation data procedure. Thus, the analysis of the GM/RT surface, the GM/RT for the binaries and the GM/RT in planes containing the tie lines should be necessary to validate the obtained parameters for the different models for correlating phase equlibrium data.

Retrofit of heat exchanger networks with pressure recovery of process streams at sub-ambient conditions

This paper presents a new mathematical programming model for the retrofit of heat exchanger networks (HENs), wherein the pressure recovery of process streams is conducted to enhance heat integration. Particularly applied to cryogenic processes, HENs retrofit with combined heat and work integration is mainly aimed at reducing the use of expensive cold services. The proposed multi-stage superstructure allows the increment of the existing heat transfer area, as well as the use of new equipment for both heat exchange and pressure manipulation. The pressure recovery of streams is carried out simultaneously with the HEN design, such that the process conditions (streams pressure and temperature) are variables of optimization. The mathematical model is formulated using generalized disjunctive programming (GDP) and is optimized via mixed-integer nonlinear programming (MINLP), through the minimization of the retrofit total annualized cost, considering the turbine and compressor coupling with a helper motor. Three case studies are performed to assess the accuracy of the developed approach, including a real industrial example related to liquefied natural gas (LNG) production. The results show that the pressure recovery of streams is efficient for energy savings and, consequently, for decreasing the HEN retrofit total cost especially in sub-ambient processes.

Mineralogical analysis of ceramic tiles by FTIR: A quantitative attempt

A method for quantitative mineralogical analysis by ATR-FTIR has been developed. The method relies on the use of the main band of calcite as a reference for the normalization of the IR spectrum of a mineral sample. In this way, the molar absorptivity coefficient in the Lambert–Beer law and the components of a mixture in mole percentage can be calculated. The GAMS equation modeling environment and the NLP solver CONOPT (©ARKI Consulting and Development) were used to correlate the experimental data in the samples considered. Mixtures of different minerals and gypsum were used in order to measure the minimum band intensity that must be considered for calculations and the detection limit. Accordingly, bands of intensity lower than 0.01 were discarded. The detection limit for gypsum was about 7% (mol/total mole). Good agreement was obtained when this FTIR method was applied to ceramic tiles previously analyzed by X-ray diffraction (XRD) or mineral mixtures prepared in the lab.

Influence of the Temperature on the Liquid–Liquid–Solid Equilibria of the Water + Ethanol + 1-Undecanol Ternary System

Liquid–liquid (L–L), solid–liquid (S–L), and solid–liquid–liquid (S–L–L) equilibrium data for the water–ethanol–1-undecanol ternary system have been determined experimentally at (275.15, 278.15, 281.15, 288.15, and 298.15) K and atmospheric pressure. Different shapes of the equilibrium diagrams have been observed depending on the temperature. A region with three phases (S–L–L) is present in the temperature range between (275.15 and 281.15) K. Above 288.15 K, only a L–L region is observed.

Liquid–Liquid Equilibria of Water + Ethanol + 1-Butyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide Ternary System: Measurements and Correlation at Different Temperatures

In this work authors present the experimental liquid–liquid equilibria (LLE) data of water + ethanol + 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide ([bmim][Tf2N]) system at different temperatures. The LLE of the system was obtained in the temperature range from 283.2 to 323.2 K. The nonrandom two liquid (NRTL) and universal quasichemical (UNIQUAC) models were used to correlate ternary systems. The equilibrium compositions were successfully correlated by the interaction parameters from both models, however UNIQUAC gave a more accurate correlation. Finally, a study about the solvent capability of ionic liquid was made in order to evaluate the possibility of separating the mixture formed by ethanol and water using that ionic liquid.

A Sequential Algorithm for the Rigorous Design of Thermally Coupled Distillation Sequences

A sequential design method is presented for the design of thermally coupled distillation sequences. The algorithm starts by selecting a set of sequences in the space of basic configurations in which the internal structure of condensers and reboilers is explicitly taken into account and extended with the possibility of including divided wall columns (DWC). This first stage is based on separation tasks (except by the DWCs) and therefore it does not provide an actual sequence of columns. In the second stage the best arrangement in N-1 actual columns is performed taking into account operability and mechanical constraints. Finally, for a set of candidate sequences the algorithm try to reduce the number of total columns by considering Kaibel columns, elimination of transfer blocks or columns with vertical partitions. An example illustrate the different steps of the sequential algorithm.

Structured carbons as supports for hydrogenation hybrid catalysts prepared by the immobilization of a Rh diamine complex

A CNF-monolith sample (carbon nanofibres grown on a ceramic monolith), and a granular carbon xerogel have been used as supports for hybrid catalysts where the active species is an Rh diamine complex. The advantages of these supports are their open porous structure and their morphology, which make catalyst handling easier and avoid difficult separation processes. The obtained catalysts are noticeably more active than the homogeneous Rh complex and are stable against leaching. At first use, partial reduction of the Rh complex takes place and nanometer-sized Rh particles develop, which increases the catalyst activity. Despite the open porous structure, mass transport limitations are present, especially in the case of the carbon xerogel based catalyst. Differences in internal mass transfer limitations are essentially due to the different diffusional path lengths.

Supplementary Material: Analysis of the Connecting Zone Between Consecutive Sections in Distillation Columns Covering Multiple Feeds, Products and Heat Transfer Stages

Supplementary Material: J.A. REYES-LABARTA, M.D. SERRANO and A. MARCILLA. ANALYSIS OF THE CONNECTING ZONE BETWEEN CONSECUTIVE SECTIONS IN DISTILLATION COLUMNS COVERING MULTIPLE FEEDS, PRODUCTS AND HEAT TRANSFER STAGES. Latin American Applied Research an International Journal of Chemical Engineering. 2014, vol. 44(4), 307-312 (http://www.laar.uns.edu.ar/indexes/artic_v4404/44_04_307.pdf)

Large scale optimization of a sour water stripping plant using surrogate models

In this work, we propose a new methodology for the large scale optimization and process integration of complex chemical processes that have been simulated using modular chemical process simulators. Units with significant numerical noise or large CPU times are substituted by surrogate models based on Kriging interpolation. Using a degree of freedom analysis, some of those units can be aggregated into a single unit to reduce the complexity of the resulting model. As a result, we solve a hybrid simulation-optimization model formed by units in the original flowsheet, Kriging models, and explicit equations. We present a case study of the optimization of a sour water stripping plant in which we simultaneously consider economics, heat integration and environmental impact using the ReCiPe indicator, which incorporates the recent advances made in Life Cycle Assessment (LCA). The optimization strategy guarantees the convergence to a local optimum inside the tolerance of the numerical noise.

Coordinación para la planificación de la próxima acreditación del Grado en Ingeniería Química

El Grado en Ingeniería Química de la Universidad de Alicante, como muchas otras titulaciones, se encuentra en proceso de renovación de la acreditación nacional. La preparación para ello ha requerido un gran esfuerzo y coordinación de los profesores de la titulación, y el presente trabajo se ha desarrollado especialmente para afrontar el último tramo previo a la presentación de la documentación. Para ello, se han identificado los puntos fuertes de la titulación y los puntos con posibilidad de mejora en base a los criterios de ANECA, y se han realizado propuestas de mejora de los últimos mediante la coordinación de profesores y alumnos. Entre estas propuestas, se encuentra el uso de la herramienta Google Calendar con el objetivo de tener un mayor control de la carga de trabajo no presencial del alumnado, puesto que este aspecto es uno de los valorados con puntuación más baja en las encuestas realizadas por la Unidad Técnica de Calidad.

Evaluation of semi-passive treatment technologies for septic lagoon capacity expansion

In Canada, increases in rural development has led to a growing need to effectively manage the resulting municipal and city sewage without the addition of significant cost- and energy- expending infrastructure. Storring Septic Service Limited is a family-owned, licensed wastewater treatment facility located in eastern Ontario. It makes use of a passive waste stabilization pond system to treat and dispose of waste and wastewater in an environmentally responsible manner. Storring Septic, like many other similar small-scale wastewater treatment facilities across Canada, has the potential to act as a sustainable eco-engineered facility that municipalities and service providers could utilize to manage and dispose of their wastewater. However, it is of concern that the substantial inclusion of third party material could be detrimental to the stability and robustness of the pond system. In order to augment the capacity of the current facility, and ensure it remains a self-sustaining system with the capacity to safely accept septage from other sewage haulers, it was hypothesized that pond effluent treatment could be further enhanced through the incorporation of one of three different technology solutions, which would allow the reduction of wastewater quality parameters below existing regulatory effluent discharge limits put in place by Ontario’s Ministry of the Environment and Climate Change (MOECC). Two of these solutions make use of biofilm technologies in order to enhance the removal of wastewater parameters of interest, and the third utilizes the natural water filtration capabilities of zebra mussels. Pilot-scale testing investigated the effects of each of these technologies on treatment performance under both cold and warm weather operation. This research aimed to understand the important mechanisms behind biological filtration methods in order to choose and optimize the best treatment strategy for full-scale testing and implementation. In doing so, a recommendation matrix was elaborated provided with the potential to be used as a universal operational strategy for wastewater treatment facilities located in environments of similar climate and ecology.

Removal of antibiotic compounds by adsorption using glycerol-based carbon materials

This study is focused on the synthesis and application of glycerol-based carbon materials (GBCM200, GBCM300 and GBCM350) as adsorbents for the removal of the antibiotic compounds flumequine and tetracycline from aqueous solution. The synthesis enrolled the partial carbonization of a glycerol-sulfuric acid mixture, followed by thermal treatments under inert conditions and further thermal activation under oxidative atmosphere. The textural properties were investigated through N2 adsorption–desorption isotherms, and the presence of oxygenated groups was discussed based on zeta potential and Fourier transform infrared (FTIR) data. The kinetic data revealed that the equilibrium time for flumequine adsorption was achieved within 96 h, while for tetracycline, it was reached after 120 h. Several kinetic models, i.e., pseudo-first order, pseudo-second order, fractional power, Elovich and Weber–Morris models, were applied, finding that the pseudo-second order model was the most suitable for the fitting of the experimental kinetic data. The estimated surface diffusion coefficient values, Ds, of 3.88 and 5.06 10 14 m2 s 1, suggests that the pore diffusion is the rate limiting step of the adsorption process. Finally, as it is based on SSE values, Sips model well-fitted the experimental FLQ and TCN adsorption isotherm data, followed by Freundlich equation. The maximum adsorption capacities for flumequine and tetracycline was of 41.5 and 58.2 mg g 1 by GBCM350 activated carbon.