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Using both computational and experimental methods, the capacity of fourdifferent surfactant molecules to inhibit the agglomeration of sII hydrateparticles was assessed. The computational simulations were carried out usingboth steered and non-steered Molecular Dynamics (MD), simulating thecoalescence process of a hydrate slab and a water droplet, both covered withsurfactant molecules. The experimental work was based on rocking cellmeasurements, determining the minimum effective dose necessary to inhibitagglomeration. Overall, good agreement was obtained between the performancepredicted by the simulations and the experimental measurements. Moreover, thesimulations allowed to gain additional insights that are not directlyaccessible via experiments, such as an analysis of the mass density profiles,the diffusion coefficients, or the orientations of the long tails.

Ranking the efficiency of gas hydrate anti agglomerants through molecular dynamic simulations