Estudo do processo de drenagem gravitacional do óleo assistido com injeção de vapor e solvente

Como os recursos de hidrocarbonetos convencionais estão se esgotando, a crescente demanda mundial por energia impulsiona a indústria do petróleo para desenvolver mais reservatórios não convencionais. Os recursos mundiais de betume e óleo pesado são estimados em 5,6 trilhões de barris, dos quais 80% estão localizados na Venezuela, Canadá e EUA. Um dos métodos para explorar estes hidrocarbonetos é o processo de drenagem gravitacional assistido com injeção de vapor e solvente (ES-SAGD Expanding Solvent Steam Assisted Gravity Drainage). Neste processo são utilizados dois poços horizontais paralelos e situados verticalmente um acima do outro, um produtor na base do reservatório e um injetor de vapor e solvente no topo do reservatório. Este processo é composto por um método térmico (injeção de vapor) e um método miscível (injeção de solvente) com a finalidade de causar a redução das tensões interfaciais e da viscosidade do óleo ou betume. O objetivo deste estudo é analisar a sensibilidade de alguns parâmetros operacionais, tais como: tipo de solvente injetado, qualidade do vapor, distância vertical entre os poços, porcentagem de solvente injetado e vazão de injeção de vapor sobre o fator de recuperação para 5, 10 e 15 anos. Os estudos foram realizados através de simulações concretizadas no módulo STARS (Steam Thermal, and Advanced Processes Reservoir Simulator) do programa da CMG (Computer Modelling Group), versão 2010.10, onde as interações entre os parâmetros operacionais, estudados em um modelo homogêneo com características de reservatórios semelhantes aos encontrados no Nordeste Brasileiro, foram observadas. Os resultados obtidos neste estudo mostraram que os melhores fatores de recuperação ocorreram para níveis máximos do percentual de solvente injetado e da distância vertical entre os poços. Observou-se também que o processo será rentável dependendo do tipo e do valor do solvente injetado

Estudo do processo de drenagem gravitacional do óleo assistido com injeção de vapor e solvente

Como os recursos de hidrocarbonetos convencionais estão se esgotando, a crescente demanda mundial por energia impulsiona a indústria do petróleo para desenvolver mais reservatórios não convencionais. Os recursos mundiais de betume e óleo pesado são estimados em 5,6 trilhões de barris, dos quais 80% estão localizados na Venezuela, Canadá e EUA. Um dos métodos para explorar estes hidrocarbonetos é o processo de drenagem gravitacional assistido com injeção de vapor e solvente (ES-SAGD Expanding Solvent Steam Assisted Gravity Drainage). Neste processo são utilizados dois poços horizontais paralelos e situados verticalmente um acima do outro, um produtor na base do reservatório e um injetor de vapor e solvente no topo do reservatório. Este processo é composto por um método térmico (injeção de vapor) e um método miscível (injeção de solvente) com a finalidade de causar a redução das tensões interfaciais e da viscosidade do óleo ou betume. O objetivo deste estudo é analisar a sensibilidade de alguns parâmetros operacionais, tais como: tipo de solvente injetado, qualidade do vapor, distância vertical entre os poços, porcentagem de solvente injetado e vazão de injeção de vapor sobre o fator de recuperação para 5, 10 e 15 anos. Os estudos foram realizados através de simulações concretizadas no módulo STARS (Steam Thermal, and Advanced Processes Reservoir Simulator) do programa da CMG (Computer Modelling Group), versão 2010.10, onde as interações entre os parâmetros operacionais, estudados em um modelo homogêneo com características de reservatórios semelhantes aos encontrados no Nordeste Brasileiro, foram observadas. Os resultados obtidos neste estudo mostraram que os melhores fatores de recuperação ocorreram para níveis máximos do percentual de solvente injetado e da distância vertical entre os poços. Observou-se também que o processo será rentável dependendo do tipo e do valor do solvente injetado

Modeling and simulation of severe slugging with mass transfer effects

A mathematical model and numerical simulations are presented to investigate the dynamics of gas, oil and water flow in a pipeline-riser system. The pipeline is modeled as a lumped parameter system and considers two switchable states: one in which the gas is able to penetrate into the riser and another in which there is a liquid accumulation front, preventing the gas from penetrating the riser. The riser model considers a distributed parameter system, in which movable nodes are used to evaluate local conditions along the subsystem. Mass transfer effects are modeled by using a black oil approximation. The model predicts the liquid penetration length in the pipeline and the liquid level in the riser, so it is possible to determine which type of severe slugging occurs in the system. The method of characteristics is used to simplify the differentiation of the resulting hyperbolic system of equations. The equations are discretized and integrated using an implicit method with a predictor-corrector scheme for the treatment of the nonlinearities. Simulations corresponding to severe slugging conditions are presented and compared to results obtained with OLGA computer code, showing a very good agreement. A description of the types of severe slugging for the three-phase flow of gas, oil and water in a pipeline-riser system with mass transfer effects are presented, as well as a stability map. (C) 2011 Elsevier Ltd. All rights reserved.

Modeling and simulation of fibrinogen and its adsorption behavior

In this thesis different approaches for the modeling and simulation of the blood protein fibrinogen are presented. The approaches are meant to systematically connect the multiple time and length scales involved in the dynamics of fibrinogen in solution and at inorganic surfaces. The first part of the thesis will cover simulations of fibrinogen on an all atom level. Simulations of the fibrinogen protomer and dimer are performed in explicit solvent to characterize the dynamics of fibrinogen in solution. These simulations reveal an unexpectedly large and fast bending motion that is facilitated by molecular hinges located in the coiled-coil region of fibrinogen. This behavior is characterized by a bending and a dihedral angle and the distribution of these angles is measured. As a consequence of the atomistic detail of the simulations it is possible to illuminate small scale behavior in the binding pockets of fibrinogen that hints at a previously unknown allosteric effect. In a second step atomistic simulations of the fibrinogen protomer are performed at graphite and mica surfaces to investigate initial adsorption stages. These simulations highlight the different adsorption mechanisms at the hydrophobic graphite surface and the charged, hydrophilic mica surface. It is found that the initial adsorption happens in a preferred orientation on mica. Many effects of practical interest involve aggregates of many fibrinogen molecules. To investigate such systems, time and length scales need to be simulated that are not attainable in atomistic simulations. It is therefore necessary to develop lower resolution models of fibrinogen. This is done in the second part of the thesis. First a systematically coarse grained model is derived and parametrized based on the atomistic simulations of the first part. In this model the fibrinogen molecule is represented by 45 beads instead of nearly 31,000 atoms. The intra-molecular interactions of the beads are modeled as a heterogeneous elastic network while inter-molecular interactions are assumed to be a combination of electrostatic and van der Waals interaction. A method is presented that determines the charges assigned to beads by matching the electrostatic potential in the atomistic simulation. Lastly a phenomenological model is developed that represents fibrinogen by five beads connected by rigid rods with two hinges. This model only captures the large scale dynamics in the atomistic simulations but can shed light on experimental observations of fibrinogen conformations at inorganic surfaces.

BioMet®Tools: from modeling and simulation to product design and development

BioMet®Tools is a set of software applications developed for the biometrical characterization of voice in different fields as voice quality evaluation in laryngology, speech therapy and rehabilitation, education of the singing voice, forensic voice analysis in court, emotional detection in voice, secure access to facilities and services, etc. Initially it was conceived as plain research code to estimate the glottal source from voice and obtain the biomechanical parameters of the vocal folds from the spectral density of the estimate. This code grew to what is now the Glottex®Engine package (G®E). Further demands from users in medical and forensic fields instantiated the development of different Graphic User Interfaces (GUI’s) to encapsulate user interaction with the G®E. This required the personalized design of different GUI’s handling the same G®E. In this way development costs and time could be saved. The development model is described in detail leading to commercial production and distribution. Study cases from its application to the field of laryngology and speech therapy are given and discussed.

Molecular dynamics modeling and simulation of void growth in two dimensions

The mechanisms of growth of a circular void by plastic deformation were studied by means of molecular dynamics in two dimensions (2D). While previous molecular dynamics (MD) simulations in three dimensions (3D) have been limited to small voids (up to ≈10 nm in radius), this strategy allows us to study the behavior of voids of up to 100 nm in radius. MD simulations showed that plastic deformation was triggered by the nucleation of dislocations at the atomic steps of the void surface in the whole range of void sizes studied. The yield stress, defined as stress necessary to nucleate stable dislocations, decreased with temperature, but the void growth rate was not very sensitive to this parameter. Simulations under uniaxial tension, uniaxial deformation and biaxial deformation showed that the void growth rate increased very rapidly with multiaxiality but it did not depend on the initial void radius. These results were compared with previous 3D MD and 2D dislocation dynamics simulations to establish a map of mechanisms and size effects for plastic void growth in crystalline solids.

Agent-based modeling and simulation for the design of the future european Air Traffic Management system: the experience of CASSIOPEIA

The SESAR (Single European Sky ATM Research) program is an ambitious re-search and development initiative to design the future European air traffic man-agement (ATM) system. The study of the behavior of ATM systems using agent-based modeling and simulation tools can help the development of new methods to improve their performance. This paper presents an overview of existing agent-based approaches in air transportation (paying special attention to the challenges that exist for the design of future ATM systems) and, subsequently, describes a new agent-based approach that we proposed in the CASSIOPEIA project, which was developed according to the goals of the SESAR program. In our approach, we use agent models for different ATM stakeholders, and, in contrast to previous work, our solution models new collaborative decision processes for flow traffic management, it uses an intermediate level of abstraction (useful for simulations at larger scales), and was designed to be a practical tool (open and reusable) for the development of different ATM studies. It was successfully applied in three stud-ies related to the design of future ATM systems in Europe.

Modeling and Simulation of Upper Brachial Plexus Injury

This article presents the first musculoskeletal model and simulation of upper plexus brachial injury. From this model is possible to analyse forces and movement ranges in order to develop a robotic exoskeleton to improve rehabilitation. The software that currently exists for musculoskeletal modeling is varied and most have advanced features for proper analysis and study of motion simulations. Whilst more powerful computer packages are usually expensive, there are other free and open source packages available which offer different tools to perform animations and simulations and which obtain forces and moments of inertia. Among them, Musculoskeletal Modeling Software was selected to construct a model of the upper limb, which has 7 degrees of freedom and 10 muscles. These muscles are important for two of the movements simulated in this article that are part of the post-surgery rehabilitation protocol. We performed different movement animations which are made using the inertial measurement unit to capture real data from movements made by a human being. We also performed the simulation of forces produced in elbow flexion-extension and arm abduction-adduction of a healthy subject and one with upper brachial plexus injury in a postoperative state to compare the force that is capable of being produced in both cases.

Catalytic activity evaluation of industrial Pd/C catalyst via gray-box dynamic modeling and simulation of hydropurification reactor

In this paper, dynamic modeling and simulation of the hydropurification reactor in a purified terephthalic acid production plant has been investigated by gray-box technique to evaluate the catalytic activity of palladium supported on carbon (0.5 wt.% Pd/C) catalyst. The reaction kinetics and catalyst deactivation trend have been modeled by employing artificial neural network (ANN). The network output has been incorporated with the reactor first principle model (FPM). The simulation results reveal that the gray-box model (FPM and ANN) is about 32 percent more accurate than FPM. The model demonstrates that the catalyst is deactivated after eleven months. Moreover, the catalyst lifetime decreases about two and half months in case of 7 percent increase of reactor feed flowrate. It is predicted that 10 percent enhancement of hydrogen flowrate promotes catalyst lifetime at the amount of one month. Additionally, the enhancement of 4-carboxybenzaldehyde concentration in the reactor feed improves CO and benzoic acid synthesis. CO is a poison to the catalyst, and benzoic acid might affect the product quality. The model can be applied into actual working plants to analyze the Pd/C catalyst efficient functioning and the catalytic reactor performance.

MODELING AND SIMULATION OF HYDRODYNAMIC INTERACTION OF DNA IN A MICRO-FLUIDIC CHANNEL

The motion of DNA (in the bulk solution) and the non-Newtonian effective fluid behavior are considered separately and self-consistently with the fluid motion satisfying the no-slip boundary condition on the surface of the confining geometry in the presence of channel pressure gradients. A different approach has been developed to model DNA in the micro-channel. In this study the DNA is assumed as an elastic chain with its characteristic Young's modulus, Poisson's ratio and density. The force which results from the fluid dynamic pressure, viscous forces and electromotive forces is applied to the elastic chain in a coupled manner. The velocity fields in the micro-channel are influenced by the transport properties. Simulations are carried out for the DNAs attached to the micro-fluidic wall. Numerical solutions based on a coupled multiphysics finite element scheme are presented. The modeling scheme is derived based on mass conservation including biomolecular mass, momentum balance including stress due to Coulomb force field and DNA-fluid interaction, and charge transport associated to DNA and other ionic complexes in the fluid. Variation in the velocity field for the non-Newtonian flow and the deformation of the DNA strand which results from the fluid-structure interaction are first studied considering a single DNA strand. Motion of the effective center of mass is analyzed considering various straight and coil geometries. Effects of DNA statistical parameters (geometry and spatial distribution of DNAs along the channel) on the effective flow behavior are analyzed. In particular, the dynamics of different DNA physical properties such as radius of gyration, end-to-end length etc. which are obtained from various different models (Kratky-Porod, Gaussian bead-spring etc.) are correlated to the nature of interaction and physical properties under the same background fluid environment.

MODELING AND SIMULATION OF A THREE-WHEELED MOBILE ROBOT ON UNEVEN TERRAINS WITH TWO-DEGREE-OF-FREEDOM SUSPENSION MECHANISMS

A wheeled mobile robot (WMR) will move on an uneven terrain without slip if its torus-shaped wheels tilt in a lateral direction. An independent two degree-of-freedom (DOF) suspension is required to maintain contact with uneven terrain and for lateral tilting. This article deals with the modeling and simulation of a three-wheeled mobile robot with torus-shaped wheels and four novel two-DOF suspension mechanism concepts. Simulations are performed on an uneven terrain for three representative pathsa straight line, a circular, and an S'-shaped path. Simulations show that a novel concept using double four-bar mechanism performs better than the other three concepts.