Phase Equilibrium Calculation Method and Phase Equilibrium Curve Characterization of Natural Gas Hydrates Under the Action of Polymer Additives in Cement Slurry Filtrate: Based on Molecular Dynamics Simulation.
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| Title: | Phase Equilibrium Calculation Method and Phase Equilibrium Curve Characterization of Natural Gas Hydrates Under the Action of Polymer Additives in Cement Slurry Filtrate: Based on Molecular Dynamics Simulation. |
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| Authors: | Liu, Huajie1,2,3 (AUTHOR) liuhuajieupc@163.com, Lin, Wenxiang1,2 (AUTHOR), Chernyshov, Sergey E.3,4 (AUTHOR), Solling, Theis I.4,5 (AUTHOR), Zhao, Xinyue1,5 (AUTHOR), Tao, Zhiwei1 (AUTHOR) |
| Source: | Materials (1996-1944). Mar2026, Vol. 19 Issue 5, p858. 24p. |
| Subjects: | Phase equilibrium, Molecular dynamics, Cement slurry, Gas hydrates, Polymers |
| Abstract: | Polymer additives in well cement slurry filtrate would affect the stability of natural gas hydrate (NGH), which could lead to formation collapse and cause marine disasters. It is necessary to clarify the critical conditions for the stability of NGH, i.e., NGH phase equilibrium. LAMMPS software and the TIP4P model were used to develop a method for calculating NGH phase equilibrium. Based on the single functional groups and combined functional groups of polymer additives, the potential energy, angular order parameter (AOP) of water molecules, and NGH phase equilibrium temperatures under different pressures were calculated, and a phase equilibrium curve was characterized. Results show that amide groups promote NGH decomposition more strongly than carboxyl and sulfonate groups, with a 1.5% dodecylamide system causing NGH phase equilibrium temperature to decrease by 1.68–2.77 K. AM/AA promotes NGH decomposition more strongly than AA/AMPSNa, AM/AMPSNa, and AA/AMPSNa/AM, with a 1.5% AM/AA system causing NGH phase equilibrium temperature to decrease by 2.33–3.56 K. To ensure the safety of well cementing and marine environments, the contents of amide groups and carboxyl groups should be reduced when developing polymer additives for cement slurry used in NGH formation cementing. [ABSTRACT FROM AUTHOR] |
| Copyright of Materials (1996-1944) is the property of MDPI and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
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| Header | DbId: egs DbLabel: Engineering Source An: 192640130 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Phase Equilibrium Calculation Method and Phase Equilibrium Curve Characterization of Natural Gas Hydrates Under the Action of Polymer Additives in Cement Slurry Filtrate: Based on Molecular Dynamics Simulation. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Liu%2C+Huajie%22">Liu, Huajie</searchLink><relatesTo>1,2,3</relatesTo> (AUTHOR)<i> liuhuajieupc@163.com</i><br /><searchLink fieldCode="AR" term="%22Lin%2C+Wenxiang%22">Lin, Wenxiang</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Chernyshov%2C+Sergey+E%2E%22">Chernyshov, Sergey E.</searchLink><relatesTo>3,4</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Solling%2C+Theis+I%2E%22">Solling, Theis I.</searchLink><relatesTo>4,5</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Zhao%2C+Xinyue%22">Zhao, Xinyue</searchLink><relatesTo>1,5</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Tao%2C+Zhiwei%22">Tao, Zhiwei</searchLink><relatesTo>1</relatesTo> (AUTHOR) – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Materials+%281996-1944%29%22">Materials (1996-1944)</searchLink>. Mar2026, Vol. 19 Issue 5, p858. 24p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Phase+equilibrium%22">Phase equilibrium</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+dynamics%22">Molecular dynamics</searchLink><br /><searchLink fieldCode="DE" term="%22Cement+slurry%22">Cement slurry</searchLink><br /><searchLink fieldCode="DE" term="%22Gas+hydrates%22">Gas hydrates</searchLink><br /><searchLink fieldCode="DE" term="%22Polymers%22">Polymers</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: Polymer additives in well cement slurry filtrate would affect the stability of natural gas hydrate (NGH), which could lead to formation collapse and cause marine disasters. It is necessary to clarify the critical conditions for the stability of NGH, i.e., NGH phase equilibrium. LAMMPS software and the TIP4P model were used to develop a method for calculating NGH phase equilibrium. Based on the single functional groups and combined functional groups of polymer additives, the potential energy, angular order parameter (AOP) of water molecules, and NGH phase equilibrium temperatures under different pressures were calculated, and a phase equilibrium curve was characterized. Results show that amide groups promote NGH decomposition more strongly than carboxyl and sulfonate groups, with a 1.5% dodecylamide system causing NGH phase equilibrium temperature to decrease by 1.68–2.77 K. AM/AA promotes NGH decomposition more strongly than AA/AMPSNa, AM/AMPSNa, and AA/AMPSNa/AM, with a 1.5% AM/AA system causing NGH phase equilibrium temperature to decrease by 2.33–3.56 K. To ensure the safety of well cementing and marine environments, the contents of amide groups and carboxyl groups should be reduced when developing polymer additives for cement slurry used in NGH formation cementing. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Materials (1996-1944) is the property of MDPI and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.3390/ma19050858 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 24 StartPage: 858 Subjects: – SubjectFull: Phase equilibrium Type: general – SubjectFull: Molecular dynamics Type: general – SubjectFull: Cement slurry Type: general – SubjectFull: Gas hydrates Type: general – SubjectFull: Polymers Type: general Titles: – TitleFull: Phase Equilibrium Calculation Method and Phase Equilibrium Curve Characterization of Natural Gas Hydrates Under the Action of Polymer Additives in Cement Slurry Filtrate: Based on Molecular Dynamics Simulation. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Liu, Huajie – PersonEntity: Name: NameFull: Lin, Wenxiang – PersonEntity: Name: NameFull: Chernyshov, Sergey E. – PersonEntity: Name: NameFull: Solling, Theis I. – PersonEntity: Name: NameFull: Zhao, Xinyue – PersonEntity: Name: NameFull: Tao, Zhiwei IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 03 Text: Mar2026 Type: published Y: 2026 Identifiers: – Type: issn-print Value: 19961944 Numbering: – Type: volume Value: 19 – Type: issue Value: 5 Titles: – TitleFull: Materials (1996-1944) Type: main |
| ResultId | 1 |
