Sulfur dissolving and plugging removal is a common method to deal with sulfur deposition plugging in the development of high sulfur gas reservoirs.In this paper,the crystal morphology of sulfur molecules was established,and the adsorption energy between the interface of sulfur soluble main agents (dimethyl disulfide DMDS,CS2,dimethyl sulfoxide DMSO,cyclohexylamine CHA) and sulfur crystals,as well as the radial distribution function,mean orientation shift and diffusion coefficient of S8 molecules during diffusion dissolution were calculated by molecular dynamics method.The diffusion-dissolving behavior of sulfur main agent was studied.The results showed that the morphology of S8 molecular crystals obtained by direct crystal growth method (AE) was close to the actual deposited elemental sulfur particles,and the adsorption energy of sulfur and sulfur soluble main agent was-612～-1479 kJ·mol-1,resulting in a strong interaction.In the sulfur-soluble box composed of sulfur-soluble main agent molecules and sulfur molecules,the sulfur-soluble main agent molecules and S8 molecules produced strong Van der Waals force to promote diffusion-soluble sulfur.The interaction between CS2 and S8 molecules was the strongest at a distance of 0.26 nm,and physical soluble sulfur was produced.DMDS,DMSO and CHA produced hydrogen bonding at a distance of 0.23 nm,and the chemical and physical interaction cooperated to dissolve sulfur.
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