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.

Modeling and simulation of severe slugging in air-water pipeline-riser systems

A mathematical model, numerical simulations and stability and flow regime maps corresponding to severe slugging in pipeline riser systems, are presented. In the simulations air and water were used as flowing fluids. The mathematical model considers continuity equations for liquid and gas phases, with a simplified momentum equation for the mixture, neglecting inertia. A drift-flux model, evaluated for the local conditions in the riser, is used as a closure law. The developed model predicts the location of the liquid accumulation front 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 numerical procedure is convergent for different nodalizations. A comparison is made with experimental results corresponding to a catenary riser, showing very good results for slugging cycle and stability and flow regime maps. (c) 2010 Elsevier Ltd. All rights reserved.

Biomechanical modeling and simulation of the spider crab (maja brachydactyla)

Uma linha de pesquisa e desenvolvimento na área da robótica, que tem recebido atenção crescente nos últimos anos, é o desenvolvimento de robôs biologicamente inspirados. A ideia é adquirir conhecimento de seres biológicos, cuja evolução ocorreu ao longo de milhões de anos, e aproveitar o conhecimento assim adquirido para implementar a locomoção pelos mesmos métodos (ou pelo menos usar a inspiração biológica) nas máquinas que se constroem. Acredita-se que desta forma é possível desenvolver máquinas com capacidades semelhantes às dos seres biológicos em termos de capacidade e eficiência energética de locomoção. Uma forma de compreender melhor o funcionamento destes sistemas, sem a necessidade de desenvolver protótipos dispendiosos e com longos tempos de desenvolvimento é usar modelos de simulação. Com base nestas ideias, o objectivo deste trabalho passa por efectuar um estudo da biomecânica da santola (Maja brachydactyla), uma espécie de caranguejo comestível pertencente à família Majidae de artrópodes decápodes, usando a biblioteca de ferramentas SimMechanics da aplicação Matlab / Simulink. Esta tese descreve a anatomia e locomoção da santola, a sua modelação biomecânica e a simulação do seu movimento no ambiente Matlab / SimMechanics e SolidWorks.

Mathematical modeling and simulation of heat flow through pultrusion die assembly system for thermoset composites

Pultrusion is an industrial process used to produce glass fibers reinforced polymers profiles. These materials are worldwide used when performing characteristics, such as great electrical and magnetic insulation, high strength to weight ratio, corrosion and weather resistance, long service life and minimal maintenance are required. In this study, we present the results of the modelling and simulation of heat flow through a pultrusion die by means of Finite Element Analysis (FEA). The numerical simulation was calibrated based on temperature profiles computed from thermographic measurements carried out during pultrusion manufacturing process. Obtained results have shown a maximum deviation of 7%, which is considered to be acceptable for this type of analysis, and is below to the 10% value, previously specified as maximum deviation. © 2011, Advanced Engineering Solutions.

Modeling and simulation of population balances for particulate processes

This work focuses on the modeling and numerical approximations of population balance equations (PBEs) for the simulation of different phenomena occurring in process engineering. The population balance equation (PBE) is considered to be a statement of continuity. It tracks the change in particle size distribution as particles are born, die, grow or leave a given control volume. In the population balance models the one independent variable represents the time, the other(s) are property coordinate(s), e.g., the particle volume (size) in the present case. They typically describe the temporal evolution of the number density functions and have been used to model various processes such as granulation, crystallization, polymerization, emulsion and cell dynamics. The semi-discrete high resolution schemes are proposed for solving PBEs modeling one and two-dimensional batch crystallization models. The schemes are discrete in property coordinates but continuous in time. The resulting ordinary differential equations can be solved by any standard ODE solver. To improve the numerical accuracy of the schemes a moving mesh technique is introduced in both one and two-dimensional cases ...

Prediction of infant drug exposure through breastfeeding: population PK modeling and simulation of fluoxetine

BACKGROUND: Risks of significant infant drug exposurethrough breastmilk are poorly defined for many drugs, and largescalepopulation data are lacking. We used population pharmacokinetics(PK) modeling to predict fluoxetine exposure levels ofinfants via mother's milk in a simulated population of 1000 motherinfantpairs.METHODS: Using our original data on fluoxetine PK of 25breastfeeding women, a population PK model was developed withNONMEM and parameters, including milk concentrations, wereestimated. An exponential distribution model was used to account forindividual variation. Simulation random and distribution-constrainedassignment of doses, dosing time, feeding intervals and milk volumewas conducted to generate 1000 mother-infant pairs with characteristicssuch as the steady-state serum concentrations (Css) and infantdose relative to the maternal weight-adjusted dose (relative infantdose: RID). Full bioavailability and a conservative point estimate of1-month-old infant CYP2D6 activity to be 20% of the adult value(adjusted by weigth) according to a recent study, were assumed forinfant Css calculations.RESULTS: A linear 2-compartment model was selected as thebest model. Derived parameters, including milk-to-plasma ratios(mean: 0.66; SD: 0.34; range, 0 - 1.1) were consistent with the valuesreported in the literature. The estimated RID was below 10% in >95%of infants. The model predicted median infant-mother Css ratio was0.096 (range 0.035 - 0.25); literature reported mean was 0.07 (range0-0.59). Moreover, the predicted incidence of infant-mother Css ratioof >0.2 was less than 1%.CONCLUSION: Our in silico model prediction is consistent withclinical observations, suggesting that substantial systemic fluoxetineexposure in infants through human milk is rare, but further analysisshould include active metabolites. Our approach may be valid forother drugs. [supported by CIHR and Swiss National Science Foundation(SNSF)]

Prediction of Infant Drug Exposure Through Breastfeeding: Population PK Modeling and Simulation of Fluoxetine Exposure.

The likelihood of significant exposure to drugs in infants through breast milk is poorly defined, given the difficulties of conducting pharmacokinetics (PK) studies. Using fluoxetine (FX) as an example, we conducted a proof-of-principle study applying population PK (popPK) modeling and simulation to estimate drug exposure in infants through breast milk. We simulated data for 1,000 mother-infant pairs, assuming conservatively that the FX clearance in an infant is 20% of the allometrically adjusted value in adults. The model-generated estimate of the milk-to-plasma ratio for FX (mean: 0.59) was consistent with those reported in other studies. The median infant-to-mother ratio of FX steady-state plasma concentrations predicted by the simulation was 8.5%. Although the disposition of the active metabolite, norfluoxetine, could not be modeled, popPK-informed simulation may be valid for other drugs, particularly those without active metabolites, thereby providing a practical alternative to conventional PK studies for exposure risk assessment in this population.

Dosage optimization of treatments using population pharmacokinetic modeling and simulation.

Pharmacokinetic variability in drug levels represent for some drugs a major determinant of treatment success, since sub-therapeutic concentrations might lead to toxic reactions, treatment discontinuation or inefficacy. This is true for most antiretroviral drugs, which exhibit high inter-patient variability in their pharmacokinetics that has been partially explained by some genetic and non-genetic factors. The population pharmacokinetic approach represents a very useful tool for the description of the dose-concentration relationship, the quantification of variability in the target population of patients and the identification of influencing factors. It can thus be used to make predictions and dosage adjustment optimization based on Bayesian therapeutic drug monitoring (TDM). This approach has been used to characterize the pharmacokinetics of nevirapine (NVP) in 137 HIV-positive patients followed within the frame of a TDM program. Among tested covariates, body weight, co-administration of a cytochrome (CYP) 3A4 inducer or boosted atazanavir as well as elevated aspartate transaminases showed an effect on NVP elimination. In addition, genetic polymorphism in the CYP2B6 was associated with reduced NVP clearance. Altogether, these factors could explain 26% in NVP variability. Model-based simulations were used to compare the adequacy of different dosage regimens in relation to the therapeutic target associated with treatment efficacy. In conclusion, the population approach is very useful to characterize the pharmacokinetic profile of drugs in a population of interest. The quantification and the identification of the sources of variability is a rational approach to making optimal dosage decision for certain drugs administered chronically.