Integration of modular process simulators under the Generalized Disjunctive Programming framework for the structural flowsheet optimization

The optimization of chemical processes where the flowsheet topology is not kept fixed is a challenging discrete-continuous optimization problem. Usually, this task has been performed through equation based models. This approach presents several problems, as tedious and complicated component properties estimation or the handling of huge problems (with thousands of equations and variables). We propose a GDP approach as an alternative to the MINLP models coupled with a flowsheet program. The novelty of this approach relies on using a commercial modular process simulator where the superstructure is drawn directly on the graphical use interface of the simulator. This methodology takes advantage of modular process simulators (specially tailored numerical methods, reliability, and robustness) and the flexibility of the GDP formulation for the modeling and solution. The optimization tool proposed is successfully applied to the synthesis of a methanol plant where different alternatives are available for the streams, equipment and process conditions.Spanish Ministry of Science and Innovation (CTQ2012-37039-C02-02)

A new technique for recovering energy in thermally coupled distillation using vapor recompression cycles

Even though it has been proved that a fully thermally coupled distillation (TCD) system minimizes the energy used by a sequence of columns, it is well-known that vapor/liquid transfers between different sections produce an unavoidable excess of vapor (liquid) in some of them, increasing both the investment and operating costs. It is proposed here to take advantage of this situation by extracting the extra vapor/liquid and subjecting it to a direct/reverse vapor compression cycle. This new arrangement restores the optimal operating conditions of some of the affected sections with energy savings of around 20–30% compared with conventional TCD columns. Various examples, including the direct and reverse vapor recompression cycles, are presented. Furthermore, in each example, all possible modes of distillation (direct, indirect and Petlyuk distillation) with and without vapor recompression cycles (VRC) are compared to ensure that this approach delivers the best results.The authors would like to acknowledge financial support from the Spanish Ministerio de Ciencias e Innovación (PPQ, CTQ2009–14420-C02-02 and CTQ2012–37039-C02-02)

Development of a critical structure state alarm system based on the instrumentation of the Botafoc breakwater nº 8 caisson

Balearic Port Authority has developed an instrumentation system for the #8 caisson of the Botafoc breakwater that integrates 12 pressure sensors located at three surfaces, two in contact with the sea water and another with the bottom. This design was completed with an inertial system that measures the angular velocities and the accelerations over the three Cartesian axes. Consequently, the system measures actions (pressures) and reactions (movements and accelerations) experimented by the caisson, due to sea waves and/or other service loads. R+D department of the Port Authority and Polytechnic University of Madrid are working on two directions, the development of new theories on vertical breakwater design that go beyond Goda and Sainflou, and on the creation of a real-time critical structure alarm system, based on the instrumentation installed. This alarm system has two main parts: the instrumentation itself that collects data and processes it on real-time (the data processing compares the pressure law suffered by the caisson in every step process with the design critical state of the caisson, in this case the Goda pressure law for a 6.5 m wave), giving a security coefficient that points out the risk level on real-time; and the alarm system consisting of a monitoring panel located in the Port Control Center that shows the risk level and advises in case of an incidental evacuation of this critical portuary installation

Integration of different models in the design of chemical processes: Application to the design of a power plant

With advances in the synthesis and design of chemical processes there is an increasing need for more complex mathematical models with which to screen the alternatives that constitute accurate and reliable process models. Despite the wide availability of sophisticated tools for simulation, optimization and synthesis of chemical processes, the user is frequently interested in using the ‘best available model’. However, in practice, these models are usually little more than a black box with a rigid input–output structure. In this paper we propose to tackle all these models using generalized disjunctive programming to capture the numerical characteristics of each model (in equation form, modular, noisy, etc.) and to deal with each of them according to their individual characteristics. The result is a hybrid modular–equation based approach that allows synthesizing complex processes using different models in a robust and reliable way. The capabilities of the proposed approach are discussed with a case study: the design of a utility system power plant that has been decomposed into its constitutive elements, each treated differently numerically. And finally, numerical results and conclusions are presented.Spanish Ministry of Science and Innovation (CTQ2012-37039-C02-02)

An alternative disjunctive optimization model for heat integration with variable temperatures

This paper presents an alternative model to deal with the problem of optimal energy consumption minimization of non-isothermal systems with variable inlet and outlet temperatures. The model is based on an implicit temperature ordering and the “transshipment model” proposed by Papoulias and Grossmann (1983). It is supplemented with a set of logical relationships related to the relative position of the inlet temperatures of process streams and the dynamic temperature intervals. In the extreme situation of fixed inlet and outlet temperatures, the model reduces to the “transshipment model”. Several examples with fixed and variable temperatures are presented to illustrate the model's performance.The authors gratefully acknowledge financial support from the Spanish “Ministerio de Ciencia e Innovación” under project CTQ2012-37039-C02-02

Uniform and scalable SAT-sampling for configurable systems

Several relevant analyses on configurable software systems remain intractable because they require examining vast and highly-constrained configuration spaces. Those analyses could be addressed through statistical inference, i.e., working with a much more tractable sample that later supports generalizing the results obtained to the entire configuration space. To make this possible, the laws of statistical inference impose an indispensable requirement: each member of the population must be equally likely to be included in the sample, i.e., the sampling process needs to be "uniform". Various SAT-samplers have been developed for generating uniform random samples at a reasonable computational cost. Unfortunately, there is a lack of experimental validation over large configuration models to show whether the samplers indeed produce genuine uniform samples or not. This paper (i) presents a new statistical test to verify to what extent samplers accomplish uniformity and (ii) reports the evaluation of four state-of-the-art samplers: Spur, QuickSampler, Unigen2, and Smarch. According to our experimental results, only Spur satisfies both scalability and uniformity.Ministerio de Ciencia, Innovación y Universidades VITAL-3D DPI2016-77677-PMinisterio de Ciencia, Innovación y Universidades OPHELIA RTI2018-101204-B-C22Comunidad Autónoma de Madrid CAM RoboCity2030 S2013/MIT-2748Agencia Estatal de Investigación TIN2017-90644-RED

Monte Carlo Tree Search for Feature Model Analyses: a General Framework for Decision-Making

The colossal solution spaces of most configurable systems make intractable their exhaustive exploration. Accordingly, relevant anal-yses remain open research problems. There exist analyses alterna-tives such as SAT solving or constraint programming. However, none of them have explored simulation-based methods. Monte Carlo-based decision making is a simulation based method for deal-ing with colossal solution spaces using randomness. This paper proposes a conceptual framework that tackles various of those anal-yses using Monte Carlo methods, which have proven to succeed in vast search spaces (e.g., game theory). Our general framework is described formally, and its flexibility to cope with a diversity of analysis problemsis discussed (e.g., finding defective configurations, feature model reverse engineering or getting optimal performance configurations). Additionally, we present a Python implementation of the framework that shows the feasibility of our proposal. With this contribution, we envision that different problems can be ad dressed using Monte Carlo simulations and that our framework can be used to advance the state of the art a step forward.Ministerio de Economía y Competitividad RTI2018-101204-B-C22 (OPHELIA

Uniform and scalable sampling of highly configurable systems

Many analyses on confgurable software systems are intractable when confronted with colossal and highly-constrained confguration spaces. These analyses could instead use statistical inference, where a tractable sample accurately predicts results for the entire space. To do so, the laws of statistical inference requires each member of the population to be equally likely to be included in the sample, i.e., the sampling process needs to be “uniform”. SAT-samplers have been developed to generate uniform random samples at a reasonable computational cost. However, there is a lack of experimental validation over colossal spaces to show whether the samplers indeed produce uniform samples or not. This paper (i) proposes a new sampler named BDDSampler, (ii) presents a new statistical test to verify sampler uniformity, and (iii) reports the evaluation of BDDSampler and fve other state-of-the-art samplers: KUS, QuickSampler, Smarch, Spur, and Unigen2. Our experimental results show only BDDSampler satisfes both scalability and uniformity.Universidad Nacional de Educación a Distancia (UNED) OPTIVAC 096-034091 2021V/PUNED/008Ministerio de Ciencia, Innovación y Universidades RTI2018-101204-B-C22 (OPHELIA)Comunidad Autónoma de Madrid ROBOCITY2030-DIH-CM S2018/NMT-4331Agencia Estatal de Investigación TIN2017-90644-RED

Total oxidation of naphthalene using palladium nanoparticles supported on BETA, ZSM-5, SAPO-5 and alumina powders

A range of catalysts based on Pd nanoparticles supported on inorganic supports such as BETA and ZSM-5 zeolites, a silicoaluminophosphate molecular sieve (SAPO-5) and γ-alumina as a standard support have been tested for the total oxidation of naphthalene (100 ppm, total flow 50 ml/min) showing a conversion to carbon dioxide of 100% between 165 and 180 °C for all the analysed catalysts. From the combined use of zeolites with PVP polymer protected Pd based nanoparticles, enhanced properties have been found for the total abatement of naphthalene in contrast with other kinds of catalysts. A Pd/BETA catalyst has been demonstrated to have excellent activity, with a high degree of stability, as shown by time on line experiments maintaining 100% conversion to CO2 during the 48 h tested.The authors would like to thank the Spanish Ministerio de Ciencia e Innovación and PLAN E funds (Project CTQ2009-10813/PPQ) and Generalitat Valenciana and FEDER (PROMETEO/2009/047) for financial support. F.J. Varela-Gandía thanks the University of Alicante for the PhD studentship. Á. Berenguer-Murcia thanks the Spanish Ministry for Science and Innovation for a Ramon y Cajal fellowship (RyC 2009-03913)

Total oxidation of naphthalene at low temperatures using palladium nanoparticles supported on inorganic oxide-coated cordierite honeycomb monoliths

A study on the preparation of thin films of ZSM-5 and BETA zeolites, and a SAPO-5 silicoaluminophosphate, supported on cordierite honeycomb monoliths by in situ synthesis was carried out for their use as catalyst supports. Furthermore γ-Al2O3 was also coated onto a cordierite honeycomb monolith by a dip-coating method for use as a standard support. Structured monolithic catalysts were prepared by impregnation of the aforementioned coated monoliths with polymer-protected Pd nanoparticles. The monolithic catalysts have been tested for the total oxidation of naphthalene (100 ppm, GHSV 1220 h−1). From the combined use of the zeolite with polymer-protected nanoparticles, enhanced catalytic properties have been found for the total abatement of naphthalene. The Pd/MBETA and Pd/MZSM-5 catalytic monoliths have shown excellent activity with a high degree of stability, even after undergoing accelerated ageing experiments.The authors would like to thank the Spanish MINECO, Generalitat Valenciana, and FEDER (Projects CTQ2012-31762 and PROMETEO/2009/047) for financial support. F. J. Varela-Gandía thanks the University of Alicante for a PhD studentship. Á. Berenguer-Murcia thanks the Spanish Ministry for Economy and Competitiveness for a Ramón y Cajal fellowship (RyC 2009-03913)