Abstract
Surfactants are often used to stabilize aqueous dispersions. For example, surfactants can be used to prevent hydrate particles from forming large plugs that can clog, and sometimes rupture pipelines. Changes in oil composition, however dramatically affect the performance of said surfactants. In this work we demonstrate that aromatic compounds, dissolved in the hydrocarbon phase, can have both synergistic and antagonistic effects, depending on their molecular structure, with respect to surfactants developed to prevent hydrate agglomerations. While monocyclic aromatics such as benzene were found to disrupt the structure of surfactant films at low surfactant density, they are expelled from the interfacial film at high surfactant density. On the other hand, polycyclic aromatics, in particular pyrene, are found to induce order and stabilize the surfactant films both at low and high surfactant density. Based on our simulation results, polycyclic aromatics could behave as natural anti-agglomerants and enhance the performance of the specific surfactants considered here, while monocyclic aromatics could, in some cases, negatively affect performance. Although limited to the conditions chosen for the present simulations, the results, explained in terms of molecular features, could be valuable for better understanding synergistic and antagonistic effects relevant for stabilizing aqueous dispersions used in diverse applications, ranging from foodstuff to processing of nanomaterials and advanced manufacturing.
Highlights
Dispersions are found in a variety of applications, from foodstuff to minerals processing, from biotechnology to nanotechnology, from 3D printing to advanced manufacturing
We employ classic molecular dynamics (MD) simulations to quantify how selected aromatic compounds could act as natural AAs, as well as how they might affect the performance of synthetic AAs
Effective repulsive interactions are assumed to positively correlate with the stability of hydrate dispersions. Those aromatics that enhance the order of AAs film were found to promote stronger hydrate-hydrate repulsions, while those that negatively affect AAs films order decreased the effective repulsion between two approaching hydrates. These results could help design AAs formulations that are effective in various crude oils, could provide important evidence to explain the performance of asphaltenes in preventing gas hydrate agglomeration, and could help the community further the fundamental understanding of the diverse mechanisms that are responsible for the stabilization of dispersions
Summary
Dispersions are found in a variety of applications, from foodstuff to minerals processing, from biotechnology to nanotechnology, from 3D printing to advanced manufacturing. Effective repulsive interactions are assumed to positively correlate with the stability of hydrate dispersions Those aromatics that enhance the order of AAs film were found to promote stronger hydrate-hydrate repulsions, while those that negatively affect AAs films order decreased the effective repulsion between two approaching hydrates. These results could help design AAs formulations that are effective in various crude oils, could provide important evidence to explain the performance of asphaltenes in preventing gas hydrate agglomeration, and could help the community further the fundamental understanding of the diverse mechanisms that are responsible for the stabilization of dispersions
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