Adsorption Mechanism of Elemental Sulfur in High-Sulfur Gas Reservoirs Based on Molecular Simulation and Monte Carlo Methods.
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| Title: | Adsorption Mechanism of Elemental Sulfur in High-Sulfur Gas Reservoirs Based on Molecular Simulation and Monte Carlo Methods. |
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| Authors: | Zhang, Mingdi1 (AUTHOR), Zhang, Guangdong2 (AUTHOR) 200631010014@swpu.edu.cn, Weng, Xuejing3 (AUTHOR), Feng, Qi4 (AUTHOR) |
| Source: | Energies (19961073). Apr2026, Vol. 19 Issue 7, p1756. 16p. |
| Subject Terms: | *Monte Carlo method, *Calcite crystals, *Physisorption, *Molecular dynamics, *Gas reservoirs |
| Abstract: | Elemental sulfur deposition in sulfur-bearing gas fields can disrupt gas well production and create safety risks, making it essential to understand its deposition mechanisms. While previous studies have examined sulfur adsorption on single minerals, the behavior in carbonate mixed minerals remains unclear. This study uses molecular simulations to investigate elemental sulfur adsorption in calcite–dolomite mixed slit models. Results show that, at the same slit size, sulfur adsorption increases with pressure and temperature, with adsorption amounts ranging from 5.95 × 10−5 to 1.08 × 10−2 mg/m2. Pressure has little effect on adsorption heat, whereas higher temperatures reduce it. At equilibrium, sulfur molecules preferentially adsorb on calcite. Increasing pressure raises sulfur adsorption on calcite, while higher temperatures enhance adsorption on both mineral surfaces. Compared with single-mineral slits, competitive adsorption in mixed systems leads to a less uniform sulfur distribution on calcite. These findings provide theoretical insights into sulfur deposition mechanisms and prevention strategies for high-sulfur gas reservoirs. [ABSTRACT FROM AUTHOR] |
| Database: | Energy & Power Source |
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| Header | DbId: enr DbLabel: Energy & Power Source An: 192959160 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Adsorption Mechanism of Elemental Sulfur in High-Sulfur Gas Reservoirs Based on Molecular Simulation and Monte Carlo Methods. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Zhang%2C+Mingdi%22">Zhang, Mingdi</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Zhang%2C+Guangdong%22">Zhang, Guangdong</searchLink><relatesTo>2</relatesTo> (AUTHOR)<i> 200631010014@swpu.edu.cn</i><br /><searchLink fieldCode="AR" term="%22Weng%2C+Xuejing%22">Weng, Xuejing</searchLink><relatesTo>3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Feng%2C+Qi%22">Feng, Qi</searchLink><relatesTo>4</relatesTo> (AUTHOR) – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Energies+%2819961073%29%22">Energies (19961073)</searchLink>. Apr2026, Vol. 19 Issue 7, p1756. 16p. – Name: Subject Label: Subject Terms Group: Su Data: *<searchLink fieldCode="DE" term="%22Monte+Carlo+method%22">Monte Carlo method</searchLink><br />*<searchLink fieldCode="DE" term="%22Calcite+crystals%22">Calcite crystals</searchLink><br />*<searchLink fieldCode="DE" term="%22Physisorption%22">Physisorption</searchLink><br />*<searchLink fieldCode="DE" term="%22Molecular+dynamics%22">Molecular dynamics</searchLink><br />*<searchLink fieldCode="DE" term="%22Gas+reservoirs%22">Gas reservoirs</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: Elemental sulfur deposition in sulfur-bearing gas fields can disrupt gas well production and create safety risks, making it essential to understand its deposition mechanisms. While previous studies have examined sulfur adsorption on single minerals, the behavior in carbonate mixed minerals remains unclear. This study uses molecular simulations to investigate elemental sulfur adsorption in calcite–dolomite mixed slit models. Results show that, at the same slit size, sulfur adsorption increases with pressure and temperature, with adsorption amounts ranging from 5.95 × 10−5 to 1.08 × 10−2 mg/m2. Pressure has little effect on adsorption heat, whereas higher temperatures reduce it. At equilibrium, sulfur molecules preferentially adsorb on calcite. Increasing pressure raises sulfur adsorption on calcite, while higher temperatures enhance adsorption on both mineral surfaces. Compared with single-mineral slits, competitive adsorption in mixed systems leads to a less uniform sulfur distribution on calcite. These findings provide theoretical insights into sulfur deposition mechanisms and prevention strategies for high-sulfur gas reservoirs. [ABSTRACT FROM AUTHOR] |
| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=enr&AN=192959160 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.3390/en19071756 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 16 StartPage: 1756 Subjects: – SubjectFull: Monte Carlo method Type: general – SubjectFull: Calcite crystals Type: general – SubjectFull: Physisorption Type: general – SubjectFull: Molecular dynamics Type: general – SubjectFull: Gas reservoirs Type: general Titles: – TitleFull: Adsorption Mechanism of Elemental Sulfur in High-Sulfur Gas Reservoirs Based on Molecular Simulation and Monte Carlo Methods. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Zhang, Mingdi – PersonEntity: Name: NameFull: Zhang, Guangdong – PersonEntity: Name: NameFull: Weng, Xuejing – PersonEntity: Name: NameFull: Feng, Qi IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 04 Text: Apr2026 Type: published Y: 2026 Identifiers: – Type: issn-print Value: 19961073 Numbering: – Type: volume Value: 19 – Type: issue Value: 7 Titles: – TitleFull: Energies (19961073) Type: main |
| ResultId | 1 |
