Development of a thermoeconomic methodology for the optimization of biodiesel production - Part I: Biodiesel plant and thermoeconomic functional diagram

This work developed a methodology that uses the thermoeconomic functional diagram applied for allocating the cost of products produced by a biodiesel plant. The first part of this work discusses some definitions of exergy and thermoeconomy, with a detailed description of the biodiesel plant studied, identification of the system functions through Physical Diagram, calculation of the irreversibilities of the plant, construction of the Thermoeconomic Functional Diagram and determination of the expressions for the plant's exergetic functions. In order to calculate the exergetic increments and the physical exergy of certain flows in each step, the Chemical Engineering Simulation Software HYSYS 3.2 was used. The equipments that have the highest irreversibilities in the plant were identified after the exergy calculation. It was also found that the lowest irreversibility in the system refers to the process with a molar ratio of 6:1 and a reaction temperature of 60 °C in the transesterification process. In the second part of this work (Part II), it was calculated the thermoeconomic cost of producing biodiesel and related products, including the costs of carbon credits for the CO2 that is not released into the atmosphere, when a percentage of biodiesel is added to the petroleum diesel used by Brazil's internal diesel fleet (case study). © 2013 Elsevier Ltd. All rights reserved.

Development of a methodology for cost determination of wastewater treatment based on functional diagram

This work describes a methodology developed for determination of costs associated to products generated in a small wastewater treatment station for sanitary wastewater from a university campus. This methodology begins with plant component units identification, relating their fluid and thermodynamics features for each point marked in its process diagram. Following, its functional diagram is developed and its formulation is elaborated, in exergetic base, describing all equations for these points, which are the constraints for exergetic production cost problem and are used in equations to determine the costs associated to products generated in SWTS. This methodology was applied to a hypothetical system based on SWTS former parts and presented consistent results when compared to expected values based on previous exergetic expertise. (C) 2008 Elsevier Ltd. All rights reserved.

Ecological efficiency and thermoeconomic analysis of a cogeneration system at a hospital

This work aims with an approach for cogeneration plants evaluation based on thermoeconomic functional diagram analysis. The second law of thermodynamics is used to develop a methodology to analyse cogeneration systems, based on exergoeconomics evaluation. The thermoeconomic optimisation method developed is applied to allow a better configuration of the cogeneration plant associated to a university hospital. Also ecological efficiency is evaluated. The method was efficient and contributes for thermoeconomics modelling and analysis and can be applied to any sort of thermal system, especially those with combined heat and power in thermal parity. (C) 2012 Elsevier Ltd. All rights reserved.

Thermoeconomic functional analysis applied in cogeneration systems associated to cellulose plants

Thermoeconomic Functional Analysis is a method developed for the analysis and optimal design of improvement of thermal systems (Frangopoulos, 1984). The purpose of this work is to discuss the cogeneration system optimization using a condensing steam turbine with two extractions. This cogeneration system is a rational alternative in pulp and paper plants in regard to the Brazilian conditions. The objective of this optimization consists of minimizing the global cost of the system acquisition and operation, based on the parametrization of actual data from a cellulose plant with a daily production of 1000 tons. Among the several possible decision variables, the pressure and temperature of live steam were selected. These variables significantly affect the energy performance of the cogeneration system. The conditions which determine a lower cost for the system are presented in conclusion.

Thermoeconomic analysis applied to an alternative wastewater treatment

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Thermoeconomic analysis method for optimization of combined heat and power systems - part II

In this paper, a thermoeconomic functional analysis method based on the Second Law of Thermodynamics and applied to analyze four cogeneration systems is presented. The objective of the developed technique is to minimize the operating costs of the cogeneration plant, namely exergetic production cost (EPC), assuming fixed rates of electricity production and process steam in exergy base. In this study a comparison is made between the same four configurations of part I. The cogeneration system consisting of a gas turbine with a heat recovery steam generator, without supplementary firing, has the lowest EPC. (C) 2004 Published by Elsevier Ltd.

Análise termoeconômica de uma mini-estação de tratamento de esgoto com auto-suficiência energética

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Aumento da oferta de eletricidade no setor sucroalcooleiro: incorporação de ciclo combinado associado à gaseificador de leito fluidizado

Pós-graduação em Engenharia Mecânica - FEG

Análise termoeconômica e ecológica da incorporação do processo de produção de hidrogênio em uma planta de produção de biodiesel

Pós-graduação em Engenharia Mecânica - FEG

Indicador de inconformidades em instalações elétricas de baixa tensão

With the progress of devices technology, generation and use of energy ways, power quality parameters start to influence more significantly the various kinds of power consumers. Currently, there are many types of devices that analyze power quality. However, there is a need to create devices, and perform measurements and calculate parameters, find flaws, suggest changes, and to support the management of the installation. In addition, you must ensure that such devices are accessible. To maintain this balance, one magnitude measuring method should be used which does not require great resources processing or memory. The work shows that application of the Goertzel algorithm, compared with the commonly used FFT allows measurements to be made using much less hardware resources, available memory space to implement management functions. The first point of the work is the research of troubles that are more common for low voltage consumers. Then we propose the functional diagram indicate what will be measured, calculated, what problems will be detected and that solutions can be found. Through the Goertzel algorithm simulation using Scilab, is possible to calculate frequency components of a distorted signal with satisfactory results. Finally, the prototype is assembled and tests are carried out by adjusting the parameters necessary for one to maintain a reliable device without increasing its cost.

Development of a thermoeconomic methodology for optimizing biodiesel production. Part II: Manufacture exergetic cost and biodiesel production cost incorporating carbon credits, a Brazilian case study

The purpose of this study is to carry on a thermoeconomic analysis at a biodiesel production plant considering the irreversibilities in each step (part I: biodiesel plant under study and functional thermoeconomic diagram [1]), making it possible to calculate the thermoeconomic cost in US$/kWh and US$/l of the biodiesel production, and the main byproduct generated, glycerin, incorporating the credits for the CO2 that is not emitted into the atmosphere (carbon credits). Assuming a sale price for both the biodiesel and the byproduct (glycerin), the annual revenue of the total investment in a plant with a capacity of 8000 t/year of biodiesel operating at 8000 h/year was calculated. The variables that directly or indirectly influence the final thermoeconomic cost include total annual biodiesel production, hours of operation, manufacturing exergy cost, molar ratio in the transesterification reaction, reaction temperature and pressure in the process. Depending on the increase or decrease in sale prices for both biodiesel and glycerin, the payback is going to significantly increase or decrease. It is evident that, in exergy terms, the sale of glycerin is of vital importance in order to reduce the biodiesel price, getting a shorter payback period for the plant under study. © 2013 Elsevier Ltd. All rights reserved.

Functional and advanced functional and causal relationship diagrams for remote condition monitoring

Analysing the condition of an asset is a big challenge as there can be many aspects which can contribute to the overall functional reliability of the asset that have to be considered. In this paper we propose a two-step functional and causal relationship diagram (FCRD) to address this problem. In the first step, the FCRD is designed to facilitate the analysis of the condition of an asset by evaluating the interdependence (functional and causal) relationships between different components of the asset with the help of a relationship diagram. This is followed by the advanced FCRD (AFCRD) which refines the information from the FCRD into a comprehensive and manageable format. This new two-step methodology for asset condition monitoring is tested and validated for the case of a water treatment plant. © IMechE 2012.

Phase diagram of vortex matter in layered superconductors with tilted columnar pinning centers

We study the vortex matter phase diagram of a layered superconductor in the presence of columnar pinning defects, tilted with respect to the normal to the layers. We use numerical minimization of the free energy written as a functional of the time-averaged vortex density of the Ramakrishnan-Yussouff form, supplemented by the appropriate pinning potential. We study the case where the pin density is smaller than the areal vortex density. At lower pin concentrations, we find, for temperatures of the order of the melting temperature of the unpinned lattice, a Bose glass type phase which at lower temperatures converts, via a first-order transition, to a Bragg glass, while, at higher temperatures, it crosses over to an interstitial liquid. At somewhat higher concentrations, no transition to a Bragg glass is found even at the lowest temperatures studied. While qualitatively the behavior we find is similar to that obtained using the same procedures for columnar pins normal to the layers, there are important and observable quantitative differences, which we discuss.

Phase diagram of a hard-sphere system in a quenched random potential: A numerical study

We report numerical results for the phase diagram in the density-disorder plane of a hard-sphere system in the presence of quenched, random, pinning disorder. Local minima of a discretized version of the Ramakrishnan-Yussouff free energy functional are located numerically and their relative stability is studied as a function of the density and the strength of disorder. Regions in the phase diagram corresponding to liquid, glassy, and nearly crystalline states are mapped out, and the nature of the transitions is determined. The liquid to glass transition changes from first to second order as the strength of the disorder is increased. For weak disorder, the system undergoes a first-order crystallization transition as the density is increased. Beyond a critical value of the disorder strength, this transition is replaced by a continuous glass transition. Our numerical results are compared with those of analytical work on the same system. Implications of our results for the field-temperature phase diagram of type-II superconductors are discussed.

Advanced density functional theory methods for materials science

In this work we chiefly deal with two broad classes of problems in computational materials science, determining the doping mechanism in a semiconductor and developing an extreme condition equation of state. While solving certain aspects of these questions is well-trodden ground, both require extending the reach of existing methods to fully answer them. Here we choose to build upon the framework of density functional theory (DFT) which provides an efficient means to investigate a system from a quantum mechanics description.

Zinc Phosphide (Zn₃P₂) could be the basis for cheap and highly efficient solar cells. Its use in this regard is limited by the difficulty in n-type doping the material. In an effort to understand the mechanism behind this, the energetics and electronic structure of intrinsic point defects in zinc phosphide are studied using generalized Kohn-Sham theory and utilizing the Heyd, Scuseria, and Ernzerhof (HSE) hybrid functional for exchange and correlation. Novel 'perturbation extrapolation' is utilized to extend the use of the computationally expensive HSE functional to this large-scale defect system. According to calculations, the formation energy of charged phosphorus interstitial defects are very low in n-type Zn₃P₂ and act as 'electron sinks', nullifying the desired doping and lowering the fermi-level back towards the p-type regime. Going forward, this insight provides clues to fabricating useful zinc phosphide based devices. In addition, the methodology developed for this work can be applied to further doping studies in other systems.

Accurate determination of high pressure and temperature equations of state is fundamental in a variety of fields. However, it is often very difficult to cover a wide range of temperatures and pressures in an laboratory setting. Here we develop methods to determine a multi-phase equation of state for Ta through computation. The typical means of investigating thermodynamic properties is via ’classical’ molecular dynamics where the atomic motion is calculated from Newtonian mechanics with the electronic effects abstracted away into an interatomic potential function. For our purposes, a ’first principles’ approach such as DFT is useful as a classical potential is typically valid for only a portion of the phase diagram (i.e. whatever part it has been fit to). Furthermore, for extremes of temperature and pressure quantum effects become critical to accurately capture an equation of state and are very hard to capture in even complex model potentials. This requires extending the inherently zero temperature DFT to predict the finite temperature response of the system. Statistical modelling and thermodynamic integration is used to extend our results over all phases, as well as phase-coexistence regions which are at the limits of typical DFT validity. We deliver the most comprehensive and accurate equation of state that has been done for Ta. This work also lends insights that can be applied to further equation of state work in many other materials.