Osmosis-Driven Water Transport through a Nanochannel: A Molecular Dynamics Simulation Study
In this work, we study a chemical method to transfer water molecules from a nanoscale compartment to another initially empty compartment through a nanochannel. Without any external force, water molecules do not spontaneously move to the empty compartment because of the energy barrier for breaking wa...
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| Format: | Article |
| Language: | English |
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MDPI AG
2020-10-01
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| Series: | International Journal of Molecular Sciences |
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| Online Access: | https://www.mdpi.com/1422-0067/21/21/8030 |
| _version_ | 1797549594712735744 |
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| author | Changsun Eun |
| author_facet | Changsun Eun |
| author_sort | Changsun Eun |
| collection | DOAJ |
| description | In this work, we study a chemical method to transfer water molecules from a nanoscale compartment to another initially empty compartment through a nanochannel. Without any external force, water molecules do not spontaneously move to the empty compartment because of the energy barrier for breaking water hydrogen bonds in the transport process and the attraction between water molecules and the compartment walls. To overcome the energy barrier, we put osmolytes into the empty compartment, and to remove the attraction, we weaken the compartment-water interaction. This allows water molecules to spontaneously move to the empty compartment. We find that the initiation and time-transient behavior of water transport depend on the properties of the osmolytes specified by their number and the strength of their interaction with water. Interestingly, when osmolytes strongly interact with water molecules, transport immediately starts and continues until all water molecules are transferred to the initially empty compartment. However, when the osmolyte interaction strength is intermediate, transport initiates stochastically, depending on the number of osmolytes. Surprisingly, because of strong water-water interactions, osmosis-driven water transport through a nanochannel is similar to pulling a string at a constant speed. Our study helps us understand what minimal conditions are needed for complete transfer of water molecules to another compartment through a nanochannel, which may be of general concern in many fields involving molecular transfer. |
| first_indexed | 2024-03-10T15:16:50Z |
| format | Article |
| id | doaj.art-60c4300d215e4d9bb9f1262865f3b201 |
| institution | Directory Open Access Journal |
| issn | 1661-6596 1422-0067 |
| language | English |
| last_indexed | 2024-03-10T15:16:50Z |
| publishDate | 2020-10-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | International Journal of Molecular Sciences |
| spelling | doaj.art-60c4300d215e4d9bb9f1262865f3b2012023-11-20T18:51:43ZengMDPI AGInternational Journal of Molecular Sciences1661-65961422-00672020-10-012121803010.3390/ijms21218030Osmosis-Driven Water Transport through a Nanochannel: A Molecular Dynamics Simulation StudyChangsun Eun0Department of Chemistry, Hankuk University of Foreign Studies, Yongin 17035, KoreaIn this work, we study a chemical method to transfer water molecules from a nanoscale compartment to another initially empty compartment through a nanochannel. Without any external force, water molecules do not spontaneously move to the empty compartment because of the energy barrier for breaking water hydrogen bonds in the transport process and the attraction between water molecules and the compartment walls. To overcome the energy barrier, we put osmolytes into the empty compartment, and to remove the attraction, we weaken the compartment-water interaction. This allows water molecules to spontaneously move to the empty compartment. We find that the initiation and time-transient behavior of water transport depend on the properties of the osmolytes specified by their number and the strength of their interaction with water. Interestingly, when osmolytes strongly interact with water molecules, transport immediately starts and continues until all water molecules are transferred to the initially empty compartment. However, when the osmolyte interaction strength is intermediate, transport initiates stochastically, depending on the number of osmolytes. Surprisingly, because of strong water-water interactions, osmosis-driven water transport through a nanochannel is similar to pulling a string at a constant speed. Our study helps us understand what minimal conditions are needed for complete transfer of water molecules to another compartment through a nanochannel, which may be of general concern in many fields involving molecular transfer.https://www.mdpi.com/1422-0067/21/21/8030molecular dynamics simulationosmosiswater transportnanochannelcarbon nanotubegraphene |
| spellingShingle | Changsun Eun Osmosis-Driven Water Transport through a Nanochannel: A Molecular Dynamics Simulation Study International Journal of Molecular Sciences molecular dynamics simulation osmosis water transport nanochannel carbon nanotube graphene |
| title | Osmosis-Driven Water Transport through a Nanochannel: A Molecular Dynamics Simulation Study |
| title_full | Osmosis-Driven Water Transport through a Nanochannel: A Molecular Dynamics Simulation Study |
| title_fullStr | Osmosis-Driven Water Transport through a Nanochannel: A Molecular Dynamics Simulation Study |
| title_full_unstemmed | Osmosis-Driven Water Transport through a Nanochannel: A Molecular Dynamics Simulation Study |
| title_short | Osmosis-Driven Water Transport through a Nanochannel: A Molecular Dynamics Simulation Study |
| title_sort | osmosis driven water transport through a nanochannel a molecular dynamics simulation study |
| topic | molecular dynamics simulation osmosis water transport nanochannel carbon nanotube graphene |
| url | https://www.mdpi.com/1422-0067/21/21/8030 |
| work_keys_str_mv | AT changsuneun osmosisdrivenwatertransportthroughananochannelamoleculardynamicssimulationstudy |