Amanda Lemette Brandao

Pontifical Catholic University of Rio de Janeiro · Departamento de Engenharia Quimica e de Materiais - DEQM

In the present study, a dynamic Monte Carlo (MC) model is applied for predicting the dynamic evolution of monomer Droplet Size Distribution (DSD) and polymer Particle Size Distribution (PSD) within the presence of an inventive time step in the MC algorithm for both non‐reactive (liquid–liquid dispersion) and reactive systems. Besides, a combining a...

Automating infrared spectra interpretation in microplastic identification is of interest since most current methodologies are conducted manually or semi-automatically, which requires substantial processing time and presents a higher accuracy limited to single-polymer materials. Furthermore, when it comes to multicomponent or weathered polymeric mat...

The Data shows how differently the system behaves with and without lubrication: temperature (29.91%), effective power (42.54%), structure-borne sound (62.55%) Ø Best type and point of measurement to predict the condition Ø Accurate prediction of the lubrication condition of 97.23% Ø Applying such a model leads to the optimal use of lubricants. Redu...

The greatest value for plant operators is a rapidly available, properly classified, and designated documentation. For a normal power plant, for example, over 100,000 single files need to be classified by professionals in a manual way, which takes approximately 5 minutes per file. The documents are often stored in different formats and lack any unif...

Monte Carlo simulations are a useful and easy way to understand a polymerization reaction process properly. However, achieving reliable results with Monte Carlo simulations can also lead to prohibitive computational times and a considerable amount of data to be processed afterward. The present study analyzes the Monte Carlo simulation of a steady‐s...

This article proposes a workflow to design fiber-reinforced shotcrete (FRS) for tunnel linings. The workflow is divided into two major stages: artificial neural network (ANN) development for predicting the composite toughness, and tunnel lining design through numerical modeling. First, an artificial neural network was developed to predict FRS tough...

Polystyrene chemical recycling via pyrolysis constitutes an appropriate route for disposal of post-consumption material as high styrene amounts can be obtained and used for the production of recycled styrene-based materials, avoiding the use of virgin fossil feedstocks. However, although significant amounts of experimental polystyrene pyrolysis dat...

The temperature behavior in very high cycle fatigue (VHCF) testing as well as the influence of the intermittent loading is not completely understood. In many cases the high frequency causes the specimens to heat up and may interfere in the material's fatigue performance. In order to address this issue, this study proposed an experimental test with...

GRP Pipelines Durability and Fracture

Modelling a process or equipment is a profitable strategy to build better control strategies, predict fault conditions, and optimize the processes. Different approaches could be explored to achieve the development of better models. This paper investigates the use of experimental data generated by a central composite rotatable design (CCRD) to devel...

RESUMO-A indústria 4.0 já é realidade nas indústrias de engenharia química. Implementar o monitoramento online e as estratégias de controle de processo e executá-las por acesso remoto tornou-se hoje em dia um conhecimento diferencial dentre os engenheiros na busca de oportunidades no mercado de trabalho. O presente projeto trabalha com as estratégi...

RESUMO-O trabalho teve por objetivo simular no software Aspen HYSYS ® uma planta de produção de propileno, mais especificamente, através da reação de desidrogenação do propano com a utilização de CO 2 , bem como otimizá-la. Esse processo foi selecionado devido ao seu alto grau de expansão no campo de produção do propileno. Atualmente, a utilização...

O uso de matérias-primas oriundas de fontes não renováveis na produção de monômeros ainda é muito recorrente, sendo o petróleo a principal. Avaliando esta problemática, este trabalho teve como objetivo principal modelar, simular e avaliar preliminarmente a viabilidade do processo de produção de 1,3-butadieno a partir do bioetanol. Para isso, foi ut...

RESUMO-A indústria da borracha sintética é de grande importância e está presente no cotidiano da sociedade mundial. A borracha de butadieno ou polibutadieno (BR) é um dos polímeros mais utilizados nesse campo, principalmente para a produção de pneus. Dessa forma, o controle das condições operacionais e das propriedades finais do polímero formado sã...

The work in hand proposes Artificial Neural Networks (ANN) to predict the residual strength of fiber reinforced concrete under bending load. A database containing experimental and synthetic data was constructed with 400 datasets, providing the following input data: fiber aspect ratio, matrix compressive strength, and steel fiber volumetric fraction...

Worldwide, there is a current need for new sources of vegetable oils. The natural content of total carotenoids in Acrocomia aculeata palm oil (up to 378 µg.g-1) surpasses that of many other tropical fruits, making it one of its main compositional characteristics. As far as can be verified, there is no available information on the degradation kineti...

The present work investigates the modeling of bulk step-growth polymerization of ethylene glycol (EG) and 2,5-furandicarboxylic acid (FDCA) for production of poly(ethylene-2,5-furandicarboxylate) (PEF), using the method of moments. The kinetic model is validated with experiments performed at distinct reaction temperatures and nitrogen flowrates. Th...

The synthetic rubber industry is of great importance and it is present in the daily life of world society. Butadiene rubber or polybutadiene is one of the most used polymers in this field, mainly in tire production. Therefore, the control of operational conditions and final properties of the polymer formed are important points to be studied as they...

Polycondensation polymers are normally produced through bulk and solution polymerization processes, which are characterized by significant mass and heat transfer constraints and difficult polymer purification (when prepared in solution). Therefore, it is desirable to develop industrial processes that can circumvent some of these limitations. Recent...

Kinetic Monte Carlo is the main stochastic strategy used to simulate polymerization systems, as it gives good results with simple formulation. Normally, the algorithm used in this method presents high computational times, being necessary to choose suitable control volume sizes, which gives reliable results in moderate simulation times. The use of h...

The evaluation of faults in a multipurpose pharmaceutical pilot plant used for production of polymer particles was performed, integrating traditional Fault Tree Analyses (FTA) and Monte Carlo procedures and employing tools of the quality risk management methodology for production of medicines. The plant was divided into four basic processes: (i) re...

The present work analyzes whether discrimination of chain branching models is possible in addition diene polymerizations, based solely on average molecular weights and monomer conversions monitored during the reaction course, as usually performed in most quality control labs of industrial plants. In addition, it is verified whether the analyzed mod...

The search for more adherent and resistant synthetic elastomers has occurred intensely since the time of the First and Second World Wars with the aim of replacing the natural rubber, derived from the sap of rubber tree, due to its high price. In response to this demand, one of the best polymers that plays this role today is the high cis-polybutadie...

In pursuance of improving polymerization simulations, a diffusion-based model for free-radical polymerization was studied. The proposed model is based on the Diffusion-Control mechanism presented by Achilias and Kiparissides [1] with changes that adjusted the monomer conversion to better represent the experimental data. The main modifications inclu...

As most of recent researches tend to use probabilistic estimation algorithms for polymerization kinetic parameters without any previous evaluation, this study aims to analyze the possibility of deterministic approaches for this matter and to compare their efficiencies to the particle swarm optimization method. To better evaluate the subject, five d...

Polystyrene is a polymer with a large range application since packing, civil construction and toys industries. But their production with high quality is complex due to variations of the energy release, conversion and molecular weights. Computational modeling and simulation have been indicated as fundamental tools to study and/or design experiments...

Due to the environmental impacts caused by conventional polymer materials and processes, research on renewable polymers has increased in the last years. In this context, the present work explores the modeling of the step-growth modeling of polymerization of poly(ethylene 2,5-furandicarboxylate), PEF, using the method of moments approach.. The kinet...

Resumo: Ao longo das últimas décadas, o posto ocupado pelos materiais poliméricos dentro da indústria tem-se gradualmente transformado, deixando de serem vistos apenas como materiais de uso geral, com baixo custo e de baixa tecnologia, para materiais de engenharia, altamente confiáveis e avançados. Uma das forças motrizes dessa transformação é o me...

The present study analyzes the Monte Carlo simulation of a steady state polymerization process to reduce the overall computational time. The most used sorting algorithms were compared to find the best for the polymerization process under study. The size of the vector, used to save the polymer chain lengths, was investigated and found to influence t...

Resumo: A avaliação da cinética de degradação térmica é um dos fatores significativos no aperfeiçoamento de novas rotas para reciclagem de polímeros em escala industrial. O objetivo principal deste trabalho é investigar a cinética de degradação térmica do polietileno produzido na presença do complexo catalítico heterotrinuclear Ti(IV)/Ni(II)/Ti(IV)...

Whereas increasing plastic solid waste production constitutes one of the main challenges of modern society, mainly due to the lack of suitable recycling technologies, chemical recycling represents an attractive solution for the conversion of plastic solid waste into valuable chemical intermediates. Herein, a kinetic model for the pyrolysis of a den...

The control of polymerization conditions and final properties of polybutadiene produced through solution polymerizations constitute an important industrial challenge, which can be tackled with help of mathematical models. For this reason, the present work focus on the development of a phenomenological mathematical model, and estimation of the respe...

Potassium is an essential ion for plant nutrition, usually supplied in the form of chlorides and sulphates. According to Brazilian availability and demand of agriculture fertilizers, the importation of compounds carrying this chemical element is mandatory in order to fulfil the huge demand for this nutrient. Thus, initiatives looking for alternativ...

A data-driven strategy for the online estimation of important kinetic parameters was assessed for the copolymerization of ethylene with 1,9-decadiene using a metallocene catalyst at different diene concentrations and reaction temperatures. An initial global sensitivity analysis selected the significant kinetic parameters of the system. The retrospe...

Due to the increasing environmental concerns, different issues related to green chemistry and waste management are being discussed and studied. In the polymerization industry, most of the products are still petroleum derived. In this context, alternative sources of monomers have been investigated. Cashew nut shell liquid (CNSL) is a by-product of c...

In the chemical industry it is important to have controlled process in order to guarantee the quality and repeatability of the final product. The use of sensors in the industrial plant allows a large volume of data to be captured regarding the process. These collected data can be used in the construction of models capable of predicting the characte...

This work deals with the production process of ethylene from fossil feedstock, specifically from shale natural gas. Ethylene, also known by its IUPAC official name, ethene, is one of the most important industrial chemical products. It is also the basic reactant for the synthesis of many polymers. Generally, ethylene is obtained from oil derivates,...

As the market of higher alcohols is expected to grow in the short-term future, the goal of this project is to design a feasible technically and economically chemical plant to produce linear higher alcohols (n-butanol, n-hexanol and n-octanol) from bioethanol. The process is based on a set of three reactions catalyzed by hydroxyapatite and carried o...

A quarta revolução industrial tem se mostrado cada vez mais evidente na última década e é caracterizada por seis princípios: orientação de serviço, capacidade em tempo real, modularidade, descentralização, virtualização e interoperabilidade. Entretanto, estes conceitos ainda se mostram nascentes na indústria brasileira e, por isso, é de interesse a...

The present manuscript investigates the bulk copolymerization of styrene and cardanol from cashew nut shell liquid. A kinetic mechanism is proposed and a mathematical model is derived. The model parameters are estimated in order to allow for appropriate description of monomer conversions, average molecular weights, and copolymer compositions of the...

Polyisobutylene (PIB) is widely used as a lubricant and fuel oil additive due to its dispersant properties and resistance to thermal degradation. Heat released in engine can promote detachment of water droplets in lubricant or gasoline. These water droplets tend to coalesce and form larger droplets, which can accumulate impurities and form sludge....

The synthetic rubber industry has been developing and investing on the manufacture of new elastomers and vulcanized compounds. Polybutadiene (BR) is the second most produced rubber worldwide and 70% of this production is for the tire industry. However, to the best of our knowledge, there is scarce information about the mathematical modelling of pol...

Due to an increase on environmental concerns, many renewable sources are being using. One of them is cashew nut shell liquid (CNSL) which is a mixture of phenolic compounds obtained from the fruit of the cashew tree. Although it has been applied on many industrial applications like brake linings, surface coating, paints and varnishes; it’s still co...

The present study considered prediction abilities that have emerged the use of specific kinetic data and procedures to understand thermal processing as an essential unity operation on food context. The overall degradation of all-trans β-carotene and β-cryptoxanthin forms were studied to represent the intensity of the carotenoids oxidative reactions...

This work investigates the application of Nonlinear Model Predictive Control (NMPC) using Hammerstein Models in an offshore oil production well with gas-lift. The problem is especially challenging from the control point of view because it presents regions with gain sign inversion. This reversion of the gain direction makes this problem difficult to...

Polycondensation polymers are mainly synthesized through bulk or solution polymerization processes which present problems of mass and heat transfers and in the polymer separation. Therefore, the development of an industrial process capable to overcome these limitations is well desirable. Suspension polycondensation process can simplify the industri...

In the present work, the adaptive orthogonal collocation method and a Monte Carlo technique were used to compute the molecular weight distributions (MWD) of ethylene/ 1,9-decadiene copolymers synthesized by a CGC catalyst. Model predictions were compared to each other and to experimental MWD data. The simulated results allowed for comparative evalu...

In the present work, adaptive orthogonal collocation and a Monte Carlo method are used to compute the molecular weight distributions (MWD) of ethylene/1,9-decadiene copolymers produced with a constrained geometry catalyst. Predictions from each model are compared to each other and to the experimental MWDs, allowing for the evaluation of relative st...

Poly(ethylene 2,5-furandicarboxylate), PEF, has been frequently mentioned as a promising polyester due to the structural similarity to poly(ethylene terephthalate) and the use of renewable raw materials as monomers during the polymerization step [1-4]. The present work presents a mathematical model to describe the step-growth polymerization of PEF,...

Poly(ethylene 2,5-furandicarboxylate), PEF, has been frequently mentioned as a promising polyester due to the structural similarity to poly(ethylene terephthalate) and the use of renewable raw materials as monomers during the polymerization step [1-4]. The present work presents a mathematical model to describe the step-growth polymerization of PEF,...

The production of polymers from renewable materials has arisen increasing interest because of the environmental impacts caused by conventional processes. In this context, the present manuscript investigates the step-growth polymerization of poly(ethylene 2,5-furandicarboxylate), PEF, a furanic polyester with structural similarity to poly(ethylene t...

Long chain branches improve the viscoelastic properties of polyolefins and make them easier to process. The frequency of long chain branching in polyethylenes made with coordination catalysts can be substantially increased by copolymerizing ethylene with small amounts of nonconjugated dienes using an adequate catalyst. In this work, the kinetics of...

In this work, Monte Carlo methods were used to simulate olefin polymerization with coordination catalysts: the Direct method (DM), the First Reaction method (FRM), the Next Reaction method (NRM), and the τ-Leaping method. The first three methods are exact stochastic simulation algorithms (SSA), while the τ-Leaping is an approximate method with fast...

Monte Carlo methods are heuristic algorithms that use probabilities to select an outcome among several possible events in a given process. Monte Carlo methods are useful in polymer reaction engineering because they can predict the molecular architecture of polymers with details that cannot be easily captured by any other modeling technique. One of...

This work starts presenting a basic characterisation of a chalcopyrite bearing sulfi de concentrate. Then, some thermodynamics and stoichiometric considerations are discussed in terms of the possible formed products, such as copper and iron sulfates and oxides, during the roasting reaction of chalcopyrite with oxygen. The experimental work was carr...