Structural and Dynamical Insights into Acetonitrile–Water Mixtures: A Molecular Dynamics Study of Self-Diffusion, Reorientational Correlation Times, and Temperature-Dependent Behavior
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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American Chemical Society
2025-08-01
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| Series: | ACS Omega |
| Online Access: | https://doi.org/10.1021/acsomega.5c05444 |
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| _version_ | 1849222088763637760 |
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| author | Salah Bouazizi Sahbi Ayachi Salah Nasr |
| author_facet | Salah Bouazizi Sahbi Ayachi Salah Nasr |
| author_sort | Salah Bouazizi |
| collection | DOAJ |
| format | Article |
| id | doaj-art-372d936262fc4ce99fc149b7c6557121 |
| institution | Kabale University |
| issn | 2470-1343 |
| language | English |
| publishDate | 2025-08-01 |
| publisher | American Chemical Society |
| record_format | Article |
| series | ACS Omega |
| spelling | doaj-art-372d936262fc4ce99fc149b7c65571212025-08-26T07:59:11ZengAmerican Chemical SocietyACS Omega2470-13432025-08-011033380923810210.1021/acsomega.5c05444Structural and Dynamical Insights into Acetonitrile–Water Mixtures: A Molecular Dynamics Study of Self-Diffusion, Reorientational Correlation Times, and Temperature-Dependent BehaviorSalah Bouazizi0Sahbi Ayachi1Salah Nasr2Laboratory of Advanced Multifunctional Materials and Technological Applications (LR24ES04), Faculty of Sciences and Technologies of SidiBouzid, University of Kairouan, Kairouan, TunisiaLaboratory of Physico-Chemistry of Materials (LR01ES19), Faculty of Sciences, University of Monastir, Monastir, TunisiaLaboratory of Physico-Chemistry of Materials (LR01ES19), Faculty of Sciences, University of Monastir, Monastir, Tunisiahttps://doi.org/10.1021/acsomega.5c05444 |
| spellingShingle | Salah Bouazizi Sahbi Ayachi Salah Nasr Structural and Dynamical Insights into Acetonitrile–Water Mixtures: A Molecular Dynamics Study of Self-Diffusion, Reorientational Correlation Times, and Temperature-Dependent Behavior ACS Omega |
| title | Structural and Dynamical Insights into Acetonitrile–Water Mixtures: A Molecular Dynamics Study of Self-Diffusion, Reorientational Correlation Times, and Temperature-Dependent Behavior |
| title_full | Structural and Dynamical Insights into Acetonitrile–Water Mixtures: A Molecular Dynamics Study of Self-Diffusion, Reorientational Correlation Times, and Temperature-Dependent Behavior |
| title_fullStr | Structural and Dynamical Insights into Acetonitrile–Water Mixtures: A Molecular Dynamics Study of Self-Diffusion, Reorientational Correlation Times, and Temperature-Dependent Behavior |
| title_full_unstemmed | Structural and Dynamical Insights into Acetonitrile–Water Mixtures: A Molecular Dynamics Study of Self-Diffusion, Reorientational Correlation Times, and Temperature-Dependent Behavior |
| title_short | Structural and Dynamical Insights into Acetonitrile–Water Mixtures: A Molecular Dynamics Study of Self-Diffusion, Reorientational Correlation Times, and Temperature-Dependent Behavior |
| title_sort | structural and dynamical insights into acetonitrile water mixtures a molecular dynamics study of self diffusion reorientational correlation times and temperature dependent behavior |
| url | https://doi.org/10.1021/acsomega.5c05444 |
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