Gas Hydrate Technology: Computational Modeling for the Hydrate Growth Stage

• Main Authors: Ferreira Filho, Ivan Ramos, da Silveira, Kelly Cristine, Silva Neto, Antônio J.
• Format: Article in Journal/Newspaper
• Language: Portuguese
• Published: Universidade Federal do Rio Grande 2021
• Subjects: Gas-hydrates; Computational-model; Hydrate formation; Hidratos-de-gás; Modelo-computacional; Formação de hidratos; Methane hydrate
• Online Access: https://periodicos.furg.br/vetor/article/view/13164

Within sustainable chemistry, gas hydrates are gaining prominence due to their innovative applications in different scientific and industrial contexts. The ability to understand and control its properties is crucial to the full development of hydrate-based technologies. In this context, based on the mathematical model published by Vlasov for methane hydrate formation, the present study seeks to develop a computational code capable of simulating the formation rate of different gas hydrates, under any thermodynamic conditions, exhibiting the advantage of reducing the number of experiments needed to evaluate its formation behavior. To assess the feasibility of simulating the formation of other gas hydrate compositions, the code was used to simulate the cyclopentane hydrate formation. The idealized computational model successfully performed the numerical reproduction of the experimental curves for the methane hydrate, presenting the biggest error of 19.73%. The results presented in this work are consistent with published works, providing means of observation of the initial experimental conditions influence until the final stage of formation. Furthermore, the computational code has a global nature, which allows the simulation of different gas hydrate compositions, with promising application in the development of hydrate-based technologies. Dentro da química sustentável, os hidratos de gás estão ganhando destaque devido às suas inovadoras aplicações, em diferentes contextos científicos e industriais. A capacidade de entender e controlar suas propriedades são cruciais para o pleno desenvolvimento de tecnologias baseadas em hidratos. Neste contexto, a partir do modelo matemático publicado por Vlasov para a formação de hidrato de metano, o presente estudo busca o desenvolvimento de um código computacional capaz de simular o grau de formação de diferentes hidratos de gás, em quaisquer condições termodinâmicas, com a vantagem de reduzir a quantidade de experimentos necessários para a avaliação do seu comportamento de ...