Molecular mechanism of elemental sulfur dissolution in H2S under stratal conditions

Author:

Yuan Sheng1,Wan Ying2,Wang Li2,Li Nong2,Yang Mingli1ORCID,Yu Shengping3,Zhang Li1ORCID

Affiliation:

1. Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China

2. Research Institute of Exploration and Development, PetroChina Southwest Oil and Gasfield Company, Chengdu 610213, China

3. Key Laboratory of General Chemistry of the National Ethnic Affairs Commission, School of Chemistry and Environment, Southwest Minzu University, Chengdu 610041, China

Abstract

This work employs first-principles calculations and molecular dynamics simulations to study the dissolution of sulfur allotrope SN (N = 2, 4, 6 and 8) in H2S, aiding in controlling sulfur deposition in high-sulfur gas development.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

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