Simulação molecular aplicada ao problema de formação de hidratos na extração de gás natural: uma revisão sistemática

Abstract

Natural gas plays a relevant role in the global energy landscape, standing out as the fossil energy source with the lowest environmental impact. Among its potential origins, gas hydrates constitute an unconventional resource whose estimated reserves exceed those of known conventional sources. However, before being consolidated as a safe alternative energy option, these compounds also pose operational challenges, as their formation within pipelines during oil and gas production can lead to blockages and significant risks. In this context, Molecular Simulation emerges as a computational tool capable of investigating the mechanisms of hydrate formation, growth, and mitigation in a safe and cost-effective manner, without the immediate need for laboratory experiments. Numerous studies have employed this approach to evaluate mechanisms that favor nucleation or decomposition, as well as the performance of different classes of inhibitors, such as thermodynamic, kinetic, and anti-agglomerants. Accordingly, this systematic review, conducted using the ProKnow-C method, aimed to synthesize recent advances in the field and identify remaining research gaps. The results highlight important limitations of Molecular Simulation, including divergences among water potential models used to represent hydrate-forming conditions, variations in nucleation mechanisms depending on the hydrophilic or hydrophobic nature of surfaces, and promising findings regarding the use of combined inhibitors.