Dynamic Behavior of Thermally Coupled Distillation Configurations for the Separation of Multicomponent Mixtures

Control properties of thermally coupled distillation arrangements for the separation of multicomponent mixtures were compared to those of conventional distillation sequences. Seven thermally coupled schemes were investigated. The preliminary steady – state design of complex schemes was obtained by starting from a conventional distillation sequences and then optimizing for minimum energy consumption (energy-efficient designs). The dynamic behavior of the sequences considered were obtained by using the singular value decomposition technique at zero frequency. It was found that, in general, the complex schemes present theoretical control properties similar or better to those of conventional distillation sequences. This result is significant because it lets one establish that the energy savings predicted for thermally coupled distillation sequences are achieved without introducing additional control problems

Gibbs Energy Minimization Using Simulated Annealing for Two-phase Equilibrium Calculations in Reactive Systems

Phase equilibrium calculations in systems subject to chemical reactions are involved in the design, synthesis and optimization of reactive separation processes. Until now, several methods have been developed to perform simultaneously physical and chemical equilibrium calculations. However, published methods may face numerical difficulties such as variable initialization dependence, divergence and convergence to trivial solutions or unstable equilibrium states. Besides, these methods generally use conventional composition variables and reactions extents as unknowns which directly affect the numerical implementation, reliability and efficiency of solving strategies. The objective of this work is to introduce and test an alternative approach to perform Gibbs energy minimization in phase equilibrium problems for reactive systems. Specifically, we have employed the transformed composition variables of Ung and Doherty and the stochastic optimization method Simulated Annealing for two-phase equilibrium calculations in reacting systems. Performance of this strategy has been tested using several benchmark problems and results show that proposed approach is generally suitable for the global minimization of transformed Gibbs energy in reactive systems with two-phase equilibrium

Gibbs Energy Minimization Using Simulated Annealing for Two-phase Equilibrium Calculations in Reactive Systems

Phase equilibrium calculations in systems subject to chemical reactions are involved in the design, synthesis and optimization of reactive separation processes. Until now, several methods have been developed to perform simultaneously physical and chemical equilibrium calculations. However, published methods may face numerical difficulties such as variable initialization dependence, divergence and convergence to trivial solutions or unstable equilibrium states. Besides, these methods generally use conventional composition variables and reactions extents as unknowns which directly affect the numerical implementation, reliability and efficiency of solving strategies. The objective of this work is to introduce and test an alternative approach to perform Gibbs energy minimization in phase equilibrium problems for reactive systems. Specifically, we have employed the transformed composition variables of Ung and Doherty and the stochastic optimization method Simulated Annealing for two-phase equilibrium calculations in reacting systems. Performance of this strategy has been tested using several benchmark problems and results show that proposed approach is generally suitable for the global minimization of transformed Gibbs energy in reactive systems with two-phase equilibrium

Bubble and Dew Point Calculations in Multicomponent and Multireactive Mixtures

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 equilibrium and by consequence the problem dimension is also reduced. The reliability and efficiency of three equation-solving methods are tested and compared using our equilibrium conditions: a) a simultaneous equation-solving approach using Newton method (SESN), b) an equation-decoupling approach using successive substitution method (EDSS) and c) an optimization approach using the stochastic optimization method Simulated Annealing(OSA). Our results indicated that even for simple reactive systems, bubble and dew point calculations are challenging for classical equation-solving methods and require robust strategies. We conclude that OSA and EDSS methods are reliable to locate bubble and dew points in reactive systems. EDSS is more efficient than OSA; however, OSA does not need initial guesses and is more suitable for difficult problems

Design and Control Properties of Arrangements for Distillation of Four Component Mixtures Using Less Than N-1 Columns

The design and study of dynamic properties of distillation sequences using side-stream columns with less than N-1 columns for separation of four-component mixtures were studied. Total annual cost and dynamic properties (using singular value decomposition) were used to compare properties of arrangements with less than N-1 columns to base cases with three columns (conventional case). Quaternary feeds containing four hydrocarbons were analyzed. For systems with low concentrations of one component in the feed, side-stream cascades often show significantly lower operating, capital costs and best dynamic properties compared to the base cases. Low purity requirements also favor side-stream cascades. Some rules are presented to predict which sequence will have the lowest energy consumption capital cost and better dynamic properties

Inherently Safer Design and Optimization of Intensified Separation Processes for Furfural Production

Currently furfural production has been the subject of increased interest because it is a biobased chemical able to compete with fossil-based chemicals. Furfural is characterized by flammability, explosion, and toxicity properties. Improper handling and process design can lead to catastrophic accidents. Hence it is of most importance to use inherent safety concepts during the design stage. This work is the first to present several new downstream separation processes for furfural purification, which are designed using an optimization approach that simultaneously considers safety criteria in addition to the total annual cost and the eco-indicator 99. The proposed schemes include thermally coupled configuration, thermodynamic equivalent configuration, dividing-wall column, and a heat integrated configuration. These are compared with the traditional separation process of furfural known as the Quaker Oats Process. The results show that because of a large amount of water present in the feed, similar values are obtained for total annual cost and eco-indicator 99 in all cases. Moreover, the topology of the processes has an important role in the safety criteria. The thermodynamic equivalent configuration resulted as the safest alternative with a 40% reduction of the inherent risk with respect to the Quaker Oats Process, and thus it is the safest option to purify furfural

Design and Control Properties of Arrangements for Distillation of Four Component Mixtures Using Less Than N-1 Columns

The design and study of dynamic properties of distillation sequences using side-stream columns with less than N-1 columns for separation of four-component mixtures were studied. Total annual cost and dynamic properties (using singular value decomposition) were used to compare properties of arrangements with less than N-1 columns to base cases with three columns (conventional case). Quaternary feeds containing four hydrocarbons were analyzed. For systems with low concentrations of one component in the feed, side-stream cascades often show significantly lower operating, capital costs and best dynamic properties compared to the base cases. Low purity requirements also favor side-stream cascades. Some rules are presented to predict which sequence will have the lowest energy consumption capital cost and better dynamic properties

Data treatment towards the ELT age. The ESPRESSO case

Several ambitious scientific projects are currently pushing the limits of astrophysical spectroscopy, in terms of wavelength accuracy and long-term stability. These objectives put strong constraints also on the treatment of observational data, requiring dedicated software to be developed as an integral part of the instrument. In this context, a key role will be played by ESPRESSO, an ultra-stable, high-resolution spectrograph for the VLT. ESPRESSO will be the first ESO instrument to be delivered with a dedicated tool for data analysis, in addition to data reduction. New solutions to treat ESPRESSO data have been developed in view of their application to the the next-generation spectrographs. <P /

Gaia Data Release 1: the archive visualisation service

Context. The first Gaia data release (DR1) delivered a catalogue of astrometry and photometry for over a billion astronomical sources. Within the panoplyof methods used for data exploration, visualisation is often the starting point and even the guiding reference for scientific thought. However, this is a volume of data that cannot be efficiently explored using traditional tools, techniques, and habits. Aims. We aim to provide a global visual exploration service for the Gaia archive, something that is not possible out of the box for most people. The service has two main goals. The first is to provide a software platform for interactive visual exploration of the archive contents, using common personal computers and mobile devices available to most users. The second aim is to produce intelligible and appealing visual representations of the enormous information content of the archive. Methods. The interactive exploration service follows a client-server design. The server runs close to the data, at the archive, and is responsible for hiding as far as possible the complexity and volume of the Gaia data from the client. This is achieved by serving visual detail on demand. Levels of detail are pre-computed using data aggregation and subsampling techniques. For DR1, the client is a web application that provides an interactive multi-panel visualisation workspace as well as a graphical user interface. Results. The Gaia archive Visualisation Service offers a web-based multi-panel interactive visualisation desktop in a browser tab. It currently provides highly configurable 1D histograms and 2D scatter plots of Gaia DR1 and the Tycho-Gaia Astrometric Solution (TGAS) with linked views. An innovative feature is the creation of ADQL queries from visually defined regions in plots. These visual queries are ready for use in the Gaia Archive Search/data retrieval service. In addition, regions around user-selected objects can be further examined with automatically generated SIMBAD searches. Integration of the Aladin Lite and JS9 applications add support to the visualisation of HiPS and FITS maps. The production of the all-sky source density map that became the iconic image of Gaia DR1 is described in detail. Conclusions. On the day of DR1, over seven thousand users accessed the Gaia Archive visualisation portal. The system, running on a single machine, proved robust and did not fail while enabling thousands of users to visualise and explore the over one billion sources in DR1. There are still several limitations, most noticeably that users may only choose from a list of pre-computed visualisations. Thus, other visualisation applications that can complement the archive service are examined. Finally, development plans for Data Release 2 are presented