Adhesion of nanoparticles to polymer brushes studied with the ghost tweezers method
Mechanisms of interactions between nanoparticles (NPs) and polymer brushes (PBs) are explored using dissipative particle dynamics simulations and an original "ghost tweezers" method that emulates lab experiments performed with optical or magnetic tweezers. The ghost tweezers method is empl...
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Cheng, Jianli [verfasserIn] |
|---|
| Format: |
Artikel |
|---|---|
| Sprache: |
Englisch |
| Erschienen: |
2015 |
|---|
| Schlagwörter: |
|---|
| Übergeordnetes Werk: |
Enthalten in: The journal of chemical physics - Melville, NY : AIP, 1933, 142(2015), 3 |
|---|---|
| Übergeordnetes Werk: |
volume:142 ; year:2015 ; number:3 |
| Links: |
|---|
| DOI / URN: |
10.1063/1.4905894 |
|---|
| Katalog-ID: |
OLC1965728235 |
|---|
| LEADER | 01000caa a2200265 4500 | ||
|---|---|---|---|
| 001 | OLC1965728235 | ||
| 003 | DE-627 | ||
| 005 | 20230714164312.0 | ||
| 007 | tu | ||
| 008 | 160206s2015 xx ||||| 00| ||eng c | ||
| 024 | 7 | |a 10.1063/1.4905894 |2 doi | |
| 028 | 5 | 2 | |a PQ20160617 |
| 035 | |a (DE-627)OLC1965728235 | ||
| 035 | |a (DE-599)GBVOLC1965728235 | ||
| 035 | |a (PRQ)c931-35a949e02c7b683f59efd591baacede932134a82030be28684e52b96ac6f54ec0 | ||
| 035 | |a (KEY)0048355920150000142000300000adhesionofnanoparticlestopolymerbrushesstudiedwith | ||
| 040 | |a DE-627 |b ger |c DE-627 |e rakwb | ||
| 041 | |a eng | ||
| 082 | 0 | 4 | |a 540 |a 530 |q DNB |
| 100 | 1 | |a Cheng, Jianli |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a Adhesion of nanoparticles to polymer brushes studied with the ghost tweezers method |
| 264 | 1 | |c 2015 | |
| 336 | |a Text |b txt |2 rdacontent | ||
| 337 | |a ohne Hilfsmittel zu benutzen |b n |2 rdamedia | ||
| 338 | |a Band |b nc |2 rdacarrier | ||
| 520 | |a Mechanisms of interactions between nanoparticles (NPs) and polymer brushes (PBs) are explored using dissipative particle dynamics simulations and an original "ghost tweezers" method that emulates lab experiments performed with optical or magnetic tweezers. The ghost tweezers method is employed to calculate the free energy of adhesion. Ghost tweezers represents a virtual harmonic potential, which tethers NP with a spring to a given anchor point. The average spring force represents the effective force of NP-PB interaction as a function of the NP coordinate. The free energy landscape of NP-PB interactions is calculated as the mechanical work needed to transfer NP from the solvent bulk to a particular distance from the substrate surface. With this technique, we explore the adhesion of bare and ligand-functionalized spherical NPs to polyisoprene natural rubber brush in acetone-benzene binary solvent. We examine two basic mechanisms of NP-PB interactions, NP adhesion at PB exterior and NP immersion into PB, which are governed by interplay between entropic repulsive forces and enthalpic attractive forces caused by polymer adsorption at the NP surface and ligand adsorption at the substrate. The relative free energies of the equilibrium adhesion states and the potential barriers separating these states are calculated at varying grafting density, NP size, and solvent composition. | ||
| 650 | 4 | |a Acetone - chemistry | |
| 650 | 4 | |a Butadienes - chemistry | |
| 650 | 4 | |a Pentanes - chemistry | |
| 650 | 4 | |a Hemiterpenes - chemistry | |
| 650 | 4 | |a Solvents - chemistry | |
| 650 | 4 | |a Benzene - chemistry | |
| 650 | 4 | |a Rubber - chemistry | |
| 650 | 4 | |a Polymers - chemistry | |
| 650 | 4 | |a Nanoparticles - chemistry | |
| 700 | 1 | |a Vishnyakov, Aleksey |4 oth | |
| 700 | 1 | |a Neimark, Alexander V |4 oth | |
| 773 | 0 | 8 | |i Enthalten in |t The journal of chemical physics |d Melville, NY : AIP, 1933 |g 142(2015), 3 |w (DE-627)129079049 |w (DE-600)3113-6 |w (DE-576)014411660 |x 0021-9606 |7 nnns |
| 773 | 1 | 8 | |g volume:142 |g year:2015 |g number:3 |
| 856 | 4 | 1 | |u http://dx.doi.org/10.1063/1.4905894 |3 Volltext |
| 856 | 4 | 2 | |u http://www.ncbi.nlm.nih.gov/pubmed/25612723 |
| 912 | |a GBV_USEFLAG_A | ||
| 912 | |a SYSFLAG_A | ||
| 912 | |a GBV_OLC | ||
| 912 | |a SSG-OLC-PHY | ||
| 912 | |a SSG-OLC-CHE | ||
| 912 | |a SSG-OLC-PHA | ||
| 912 | |a SSG-OLC-DE-84 | ||
| 912 | |a GBV_ILN_21 | ||
| 912 | |a GBV_ILN_59 | ||
| 912 | |a GBV_ILN_70 | ||
| 912 | |a GBV_ILN_2016 | ||
| 912 | |a GBV_ILN_2279 | ||
| 951 | |a AR | ||
| 952 | |d 142 |j 2015 |e 3 | ||
| author_variant |
j c jc |
|---|---|
| matchkey_str |
article:00219606:2015----::deinfaoatcetplmrrsesuidihhg |
| hierarchy_sort_str |
2015 |
| publishDate |
2015 |
| allfields |
10.1063/1.4905894 doi PQ20160617 (DE-627)OLC1965728235 (DE-599)GBVOLC1965728235 (PRQ)c931-35a949e02c7b683f59efd591baacede932134a82030be28684e52b96ac6f54ec0 (KEY)0048355920150000142000300000adhesionofnanoparticlestopolymerbrushesstudiedwith DE-627 ger DE-627 rakwb eng 540 530 DNB Cheng, Jianli verfasserin aut Adhesion of nanoparticles to polymer brushes studied with the ghost tweezers method 2015 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier Mechanisms of interactions between nanoparticles (NPs) and polymer brushes (PBs) are explored using dissipative particle dynamics simulations and an original "ghost tweezers" method that emulates lab experiments performed with optical or magnetic tweezers. The ghost tweezers method is employed to calculate the free energy of adhesion. Ghost tweezers represents a virtual harmonic potential, which tethers NP with a spring to a given anchor point. The average spring force represents the effective force of NP-PB interaction as a function of the NP coordinate. The free energy landscape of NP-PB interactions is calculated as the mechanical work needed to transfer NP from the solvent bulk to a particular distance from the substrate surface. With this technique, we explore the adhesion of bare and ligand-functionalized spherical NPs to polyisoprene natural rubber brush in acetone-benzene binary solvent. We examine two basic mechanisms of NP-PB interactions, NP adhesion at PB exterior and NP immersion into PB, which are governed by interplay between entropic repulsive forces and enthalpic attractive forces caused by polymer adsorption at the NP surface and ligand adsorption at the substrate. The relative free energies of the equilibrium adhesion states and the potential barriers separating these states are calculated at varying grafting density, NP size, and solvent composition. Acetone - chemistry Butadienes - chemistry Pentanes - chemistry Hemiterpenes - chemistry Solvents - chemistry Benzene - chemistry Rubber - chemistry Polymers - chemistry Nanoparticles - chemistry Vishnyakov, Aleksey oth Neimark, Alexander V oth Enthalten in The journal of chemical physics Melville, NY : AIP, 1933 142(2015), 3 (DE-627)129079049 (DE-600)3113-6 (DE-576)014411660 0021-9606 nnns volume:142 year:2015 number:3 http://dx.doi.org/10.1063/1.4905894 Volltext http://www.ncbi.nlm.nih.gov/pubmed/25612723 GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OLC-CHE SSG-OLC-PHA SSG-OLC-DE-84 GBV_ILN_21 GBV_ILN_59 GBV_ILN_70 GBV_ILN_2016 GBV_ILN_2279 AR 142 2015 3 |
| spelling |
10.1063/1.4905894 doi PQ20160617 (DE-627)OLC1965728235 (DE-599)GBVOLC1965728235 (PRQ)c931-35a949e02c7b683f59efd591baacede932134a82030be28684e52b96ac6f54ec0 (KEY)0048355920150000142000300000adhesionofnanoparticlestopolymerbrushesstudiedwith DE-627 ger DE-627 rakwb eng 540 530 DNB Cheng, Jianli verfasserin aut Adhesion of nanoparticles to polymer brushes studied with the ghost tweezers method 2015 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier Mechanisms of interactions between nanoparticles (NPs) and polymer brushes (PBs) are explored using dissipative particle dynamics simulations and an original "ghost tweezers" method that emulates lab experiments performed with optical or magnetic tweezers. The ghost tweezers method is employed to calculate the free energy of adhesion. Ghost tweezers represents a virtual harmonic potential, which tethers NP with a spring to a given anchor point. The average spring force represents the effective force of NP-PB interaction as a function of the NP coordinate. The free energy landscape of NP-PB interactions is calculated as the mechanical work needed to transfer NP from the solvent bulk to a particular distance from the substrate surface. With this technique, we explore the adhesion of bare and ligand-functionalized spherical NPs to polyisoprene natural rubber brush in acetone-benzene binary solvent. We examine two basic mechanisms of NP-PB interactions, NP adhesion at PB exterior and NP immersion into PB, which are governed by interplay between entropic repulsive forces and enthalpic attractive forces caused by polymer adsorption at the NP surface and ligand adsorption at the substrate. The relative free energies of the equilibrium adhesion states and the potential barriers separating these states are calculated at varying grafting density, NP size, and solvent composition. Acetone - chemistry Butadienes - chemistry Pentanes - chemistry Hemiterpenes - chemistry Solvents - chemistry Benzene - chemistry Rubber - chemistry Polymers - chemistry Nanoparticles - chemistry Vishnyakov, Aleksey oth Neimark, Alexander V oth Enthalten in The journal of chemical physics Melville, NY : AIP, 1933 142(2015), 3 (DE-627)129079049 (DE-600)3113-6 (DE-576)014411660 0021-9606 nnns volume:142 year:2015 number:3 http://dx.doi.org/10.1063/1.4905894 Volltext http://www.ncbi.nlm.nih.gov/pubmed/25612723 GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OLC-CHE SSG-OLC-PHA SSG-OLC-DE-84 GBV_ILN_21 GBV_ILN_59 GBV_ILN_70 GBV_ILN_2016 GBV_ILN_2279 AR 142 2015 3 |
| allfields_unstemmed |
10.1063/1.4905894 doi PQ20160617 (DE-627)OLC1965728235 (DE-599)GBVOLC1965728235 (PRQ)c931-35a949e02c7b683f59efd591baacede932134a82030be28684e52b96ac6f54ec0 (KEY)0048355920150000142000300000adhesionofnanoparticlestopolymerbrushesstudiedwith DE-627 ger DE-627 rakwb eng 540 530 DNB Cheng, Jianli verfasserin aut Adhesion of nanoparticles to polymer brushes studied with the ghost tweezers method 2015 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier Mechanisms of interactions between nanoparticles (NPs) and polymer brushes (PBs) are explored using dissipative particle dynamics simulations and an original "ghost tweezers" method that emulates lab experiments performed with optical or magnetic tweezers. The ghost tweezers method is employed to calculate the free energy of adhesion. Ghost tweezers represents a virtual harmonic potential, which tethers NP with a spring to a given anchor point. The average spring force represents the effective force of NP-PB interaction as a function of the NP coordinate. The free energy landscape of NP-PB interactions is calculated as the mechanical work needed to transfer NP from the solvent bulk to a particular distance from the substrate surface. With this technique, we explore the adhesion of bare and ligand-functionalized spherical NPs to polyisoprene natural rubber brush in acetone-benzene binary solvent. We examine two basic mechanisms of NP-PB interactions, NP adhesion at PB exterior and NP immersion into PB, which are governed by interplay between entropic repulsive forces and enthalpic attractive forces caused by polymer adsorption at the NP surface and ligand adsorption at the substrate. The relative free energies of the equilibrium adhesion states and the potential barriers separating these states are calculated at varying grafting density, NP size, and solvent composition. Acetone - chemistry Butadienes - chemistry Pentanes - chemistry Hemiterpenes - chemistry Solvents - chemistry Benzene - chemistry Rubber - chemistry Polymers - chemistry Nanoparticles - chemistry Vishnyakov, Aleksey oth Neimark, Alexander V oth Enthalten in The journal of chemical physics Melville, NY : AIP, 1933 142(2015), 3 (DE-627)129079049 (DE-600)3113-6 (DE-576)014411660 0021-9606 nnns volume:142 year:2015 number:3 http://dx.doi.org/10.1063/1.4905894 Volltext http://www.ncbi.nlm.nih.gov/pubmed/25612723 GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OLC-CHE SSG-OLC-PHA SSG-OLC-DE-84 GBV_ILN_21 GBV_ILN_59 GBV_ILN_70 GBV_ILN_2016 GBV_ILN_2279 AR 142 2015 3 |
| allfieldsGer |
10.1063/1.4905894 doi PQ20160617 (DE-627)OLC1965728235 (DE-599)GBVOLC1965728235 (PRQ)c931-35a949e02c7b683f59efd591baacede932134a82030be28684e52b96ac6f54ec0 (KEY)0048355920150000142000300000adhesionofnanoparticlestopolymerbrushesstudiedwith DE-627 ger DE-627 rakwb eng 540 530 DNB Cheng, Jianli verfasserin aut Adhesion of nanoparticles to polymer brushes studied with the ghost tweezers method 2015 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier Mechanisms of interactions between nanoparticles (NPs) and polymer brushes (PBs) are explored using dissipative particle dynamics simulations and an original "ghost tweezers" method that emulates lab experiments performed with optical or magnetic tweezers. The ghost tweezers method is employed to calculate the free energy of adhesion. Ghost tweezers represents a virtual harmonic potential, which tethers NP with a spring to a given anchor point. The average spring force represents the effective force of NP-PB interaction as a function of the NP coordinate. The free energy landscape of NP-PB interactions is calculated as the mechanical work needed to transfer NP from the solvent bulk to a particular distance from the substrate surface. With this technique, we explore the adhesion of bare and ligand-functionalized spherical NPs to polyisoprene natural rubber brush in acetone-benzene binary solvent. We examine two basic mechanisms of NP-PB interactions, NP adhesion at PB exterior and NP immersion into PB, which are governed by interplay between entropic repulsive forces and enthalpic attractive forces caused by polymer adsorption at the NP surface and ligand adsorption at the substrate. The relative free energies of the equilibrium adhesion states and the potential barriers separating these states are calculated at varying grafting density, NP size, and solvent composition. Acetone - chemistry Butadienes - chemistry Pentanes - chemistry Hemiterpenes - chemistry Solvents - chemistry Benzene - chemistry Rubber - chemistry Polymers - chemistry Nanoparticles - chemistry Vishnyakov, Aleksey oth Neimark, Alexander V oth Enthalten in The journal of chemical physics Melville, NY : AIP, 1933 142(2015), 3 (DE-627)129079049 (DE-600)3113-6 (DE-576)014411660 0021-9606 nnns volume:142 year:2015 number:3 http://dx.doi.org/10.1063/1.4905894 Volltext http://www.ncbi.nlm.nih.gov/pubmed/25612723 GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OLC-CHE SSG-OLC-PHA SSG-OLC-DE-84 GBV_ILN_21 GBV_ILN_59 GBV_ILN_70 GBV_ILN_2016 GBV_ILN_2279 AR 142 2015 3 |
| allfieldsSound |
10.1063/1.4905894 doi PQ20160617 (DE-627)OLC1965728235 (DE-599)GBVOLC1965728235 (PRQ)c931-35a949e02c7b683f59efd591baacede932134a82030be28684e52b96ac6f54ec0 (KEY)0048355920150000142000300000adhesionofnanoparticlestopolymerbrushesstudiedwith DE-627 ger DE-627 rakwb eng 540 530 DNB Cheng, Jianli verfasserin aut Adhesion of nanoparticles to polymer brushes studied with the ghost tweezers method 2015 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier Mechanisms of interactions between nanoparticles (NPs) and polymer brushes (PBs) are explored using dissipative particle dynamics simulations and an original "ghost tweezers" method that emulates lab experiments performed with optical or magnetic tweezers. The ghost tweezers method is employed to calculate the free energy of adhesion. Ghost tweezers represents a virtual harmonic potential, which tethers NP with a spring to a given anchor point. The average spring force represents the effective force of NP-PB interaction as a function of the NP coordinate. The free energy landscape of NP-PB interactions is calculated as the mechanical work needed to transfer NP from the solvent bulk to a particular distance from the substrate surface. With this technique, we explore the adhesion of bare and ligand-functionalized spherical NPs to polyisoprene natural rubber brush in acetone-benzene binary solvent. We examine two basic mechanisms of NP-PB interactions, NP adhesion at PB exterior and NP immersion into PB, which are governed by interplay between entropic repulsive forces and enthalpic attractive forces caused by polymer adsorption at the NP surface and ligand adsorption at the substrate. The relative free energies of the equilibrium adhesion states and the potential barriers separating these states are calculated at varying grafting density, NP size, and solvent composition. Acetone - chemistry Butadienes - chemistry Pentanes - chemistry Hemiterpenes - chemistry Solvents - chemistry Benzene - chemistry Rubber - chemistry Polymers - chemistry Nanoparticles - chemistry Vishnyakov, Aleksey oth Neimark, Alexander V oth Enthalten in The journal of chemical physics Melville, NY : AIP, 1933 142(2015), 3 (DE-627)129079049 (DE-600)3113-6 (DE-576)014411660 0021-9606 nnns volume:142 year:2015 number:3 http://dx.doi.org/10.1063/1.4905894 Volltext http://www.ncbi.nlm.nih.gov/pubmed/25612723 GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OLC-CHE SSG-OLC-PHA SSG-OLC-DE-84 GBV_ILN_21 GBV_ILN_59 GBV_ILN_70 GBV_ILN_2016 GBV_ILN_2279 AR 142 2015 3 |
| language |
English |
| source |
Enthalten in The journal of chemical physics 142(2015), 3 volume:142 year:2015 number:3 |
| sourceStr |
Enthalten in The journal of chemical physics 142(2015), 3 volume:142 year:2015 number:3 |
| format_phy_str_mv |
Article |
| institution |
findex.gbv.de |
| topic_facet |
Acetone - chemistry Butadienes - chemistry Pentanes - chemistry Hemiterpenes - chemistry Solvents - chemistry Benzene - chemistry Rubber - chemistry Polymers - chemistry Nanoparticles - chemistry |
| dewey-raw |
540 |
| isfreeaccess_bool |
false |
| container_title |
The journal of chemical physics |
| authorswithroles_txt_mv |
Cheng, Jianli @@aut@@ Vishnyakov, Aleksey @@oth@@ Neimark, Alexander V @@oth@@ |
| publishDateDaySort_date |
2015-01-01T00:00:00Z |
| hierarchy_top_id |
129079049 |
| dewey-sort |
3540 |
| id |
OLC1965728235 |
| language_de |
englisch |
| fullrecord |
<?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01000caa a2200265 4500</leader><controlfield tag="001">OLC1965728235</controlfield><controlfield tag="003">DE-627</controlfield><controlfield tag="005">20230714164312.0</controlfield><controlfield tag="007">tu</controlfield><controlfield tag="008">160206s2015 xx ||||| 00| ||eng c</controlfield><datafield tag="024" ind1="7" ind2=" "><subfield code="a">10.1063/1.4905894</subfield><subfield code="2">doi</subfield></datafield><datafield tag="028" ind1="5" ind2="2"><subfield code="a">PQ20160617</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-627)OLC1965728235</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-599)GBVOLC1965728235</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(PRQ)c931-35a949e02c7b683f59efd591baacede932134a82030be28684e52b96ac6f54ec0</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(KEY)0048355920150000142000300000adhesionofnanoparticlestopolymerbrushesstudiedwith</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-627</subfield><subfield code="b">ger</subfield><subfield code="c">DE-627</subfield><subfield code="e">rakwb</subfield></datafield><datafield tag="041" ind1=" " ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="082" ind1="0" ind2="4"><subfield code="a">540</subfield><subfield code="a">530</subfield><subfield code="q">DNB</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Cheng, Jianli</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Adhesion of nanoparticles to polymer brushes studied with the ghost tweezers method</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">2015</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">Text</subfield><subfield code="b">txt</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">ohne Hilfsmittel zu benutzen</subfield><subfield code="b">n</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">Band</subfield><subfield code="b">nc</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">Mechanisms of interactions between nanoparticles (NPs) and polymer brushes (PBs) are explored using dissipative particle dynamics simulations and an original "ghost tweezers" method that emulates lab experiments performed with optical or magnetic tweezers. The ghost tweezers method is employed to calculate the free energy of adhesion. Ghost tweezers represents a virtual harmonic potential, which tethers NP with a spring to a given anchor point. The average spring force represents the effective force of NP-PB interaction as a function of the NP coordinate. The free energy landscape of NP-PB interactions is calculated as the mechanical work needed to transfer NP from the solvent bulk to a particular distance from the substrate surface. With this technique, we explore the adhesion of bare and ligand-functionalized spherical NPs to polyisoprene natural rubber brush in acetone-benzene binary solvent. We examine two basic mechanisms of NP-PB interactions, NP adhesion at PB exterior and NP immersion into PB, which are governed by interplay between entropic repulsive forces and enthalpic attractive forces caused by polymer adsorption at the NP surface and ligand adsorption at the substrate. The relative free energies of the equilibrium adhesion states and the potential barriers separating these states are calculated at varying grafting density, NP size, and solvent composition.</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Acetone - chemistry</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Butadienes - chemistry</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Pentanes - chemistry</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Hemiterpenes - chemistry</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Solvents - chemistry</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Benzene - chemistry</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Rubber - chemistry</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Polymers - chemistry</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Nanoparticles - chemistry</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Vishnyakov, Aleksey</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Neimark, Alexander V</subfield><subfield code="4">oth</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">Enthalten in</subfield><subfield code="t">The journal of chemical physics</subfield><subfield code="d">Melville, NY : AIP, 1933</subfield><subfield code="g">142(2015), 3</subfield><subfield code="w">(DE-627)129079049</subfield><subfield code="w">(DE-600)3113-6</subfield><subfield code="w">(DE-576)014411660</subfield><subfield code="x">0021-9606</subfield><subfield code="7">nnns</subfield></datafield><datafield tag="773" ind1="1" ind2="8"><subfield code="g">volume:142</subfield><subfield code="g">year:2015</subfield><subfield code="g">number:3</subfield></datafield><datafield tag="856" ind1="4" ind2="1"><subfield code="u">http://dx.doi.org/10.1063/1.4905894</subfield><subfield code="3">Volltext</subfield></datafield><datafield tag="856" ind1="4" ind2="2"><subfield code="u">http://www.ncbi.nlm.nih.gov/pubmed/25612723</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_USEFLAG_A</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SYSFLAG_A</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_OLC</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OLC-PHY</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OLC-CHE</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OLC-PHA</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OLC-DE-84</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_21</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_59</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_70</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2016</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2279</subfield></datafield><datafield tag="951" ind1=" " ind2=" "><subfield code="a">AR</subfield></datafield><datafield tag="952" ind1=" " ind2=" "><subfield code="d">142</subfield><subfield code="j">2015</subfield><subfield code="e">3</subfield></datafield></record></collection>
|
| author |
Cheng, Jianli |
| spellingShingle |
Cheng, Jianli ddc 540 misc Acetone - chemistry misc Butadienes - chemistry misc Pentanes - chemistry misc Hemiterpenes - chemistry misc Solvents - chemistry misc Benzene - chemistry misc Rubber - chemistry misc Polymers - chemistry misc Nanoparticles - chemistry Adhesion of nanoparticles to polymer brushes studied with the ghost tweezers method |
| authorStr |
Cheng, Jianli |
| ppnlink_with_tag_str_mv |
@@773@@(DE-627)129079049 |
| format |
Article |
| dewey-ones |
540 - Chemistry & allied sciences 530 - Physics |
| delete_txt_mv |
keep |
| author_role |
aut |
| collection |
OLC |
| remote_str |
false |
| illustrated |
Not Illustrated |
| issn |
0021-9606 |
| topic_title |
540 530 DNB Adhesion of nanoparticles to polymer brushes studied with the ghost tweezers method Acetone - chemistry Butadienes - chemistry Pentanes - chemistry Hemiterpenes - chemistry Solvents - chemistry Benzene - chemistry Rubber - chemistry Polymers - chemistry Nanoparticles - chemistry |
| topic |
ddc 540 misc Acetone - chemistry misc Butadienes - chemistry misc Pentanes - chemistry misc Hemiterpenes - chemistry misc Solvents - chemistry misc Benzene - chemistry misc Rubber - chemistry misc Polymers - chemistry misc Nanoparticles - chemistry |
| topic_unstemmed |
ddc 540 misc Acetone - chemistry misc Butadienes - chemistry misc Pentanes - chemistry misc Hemiterpenes - chemistry misc Solvents - chemistry misc Benzene - chemistry misc Rubber - chemistry misc Polymers - chemistry misc Nanoparticles - chemistry |
| topic_browse |
ddc 540 misc Acetone - chemistry misc Butadienes - chemistry misc Pentanes - chemistry misc Hemiterpenes - chemistry misc Solvents - chemistry misc Benzene - chemistry misc Rubber - chemistry misc Polymers - chemistry misc Nanoparticles - chemistry |
| format_facet |
Aufsätze Gedruckte Aufsätze |
| format_main_str_mv |
Text Zeitschrift/Artikel |
| carriertype_str_mv |
nc |
| author2_variant |
a v av a v n av avn |
| hierarchy_parent_title |
The journal of chemical physics |
| hierarchy_parent_id |
129079049 |
| dewey-tens |
540 - Chemistry 530 - Physics |
| hierarchy_top_title |
The journal of chemical physics |
| isfreeaccess_txt |
false |
| familylinks_str_mv |
(DE-627)129079049 (DE-600)3113-6 (DE-576)014411660 |
| title |
Adhesion of nanoparticles to polymer brushes studied with the ghost tweezers method |
| ctrlnum |
(DE-627)OLC1965728235 (DE-599)GBVOLC1965728235 (PRQ)c931-35a949e02c7b683f59efd591baacede932134a82030be28684e52b96ac6f54ec0 (KEY)0048355920150000142000300000adhesionofnanoparticlestopolymerbrushesstudiedwith |
| title_full |
Adhesion of nanoparticles to polymer brushes studied with the ghost tweezers method |
| author_sort |
Cheng, Jianli |
| journal |
The journal of chemical physics |
| journalStr |
The journal of chemical physics |
| lang_code |
eng |
| isOA_bool |
false |
| dewey-hundreds |
500 - Science |
| recordtype |
marc |
| publishDateSort |
2015 |
| contenttype_str_mv |
txt |
| author_browse |
Cheng, Jianli |
| container_volume |
142 |
| class |
540 530 DNB |
| format_se |
Aufsätze |
| author-letter |
Cheng, Jianli |
| doi_str_mv |
10.1063/1.4905894 |
| dewey-full |
540 530 |
| title_sort |
adhesion of nanoparticles to polymer brushes studied with the ghost tweezers method |
| title_auth |
Adhesion of nanoparticles to polymer brushes studied with the ghost tweezers method |
| abstract |
Mechanisms of interactions between nanoparticles (NPs) and polymer brushes (PBs) are explored using dissipative particle dynamics simulations and an original "ghost tweezers" method that emulates lab experiments performed with optical or magnetic tweezers. The ghost tweezers method is employed to calculate the free energy of adhesion. Ghost tweezers represents a virtual harmonic potential, which tethers NP with a spring to a given anchor point. The average spring force represents the effective force of NP-PB interaction as a function of the NP coordinate. The free energy landscape of NP-PB interactions is calculated as the mechanical work needed to transfer NP from the solvent bulk to a particular distance from the substrate surface. With this technique, we explore the adhesion of bare and ligand-functionalized spherical NPs to polyisoprene natural rubber brush in acetone-benzene binary solvent. We examine two basic mechanisms of NP-PB interactions, NP adhesion at PB exterior and NP immersion into PB, which are governed by interplay between entropic repulsive forces and enthalpic attractive forces caused by polymer adsorption at the NP surface and ligand adsorption at the substrate. The relative free energies of the equilibrium adhesion states and the potential barriers separating these states are calculated at varying grafting density, NP size, and solvent composition. |
| abstractGer |
Mechanisms of interactions between nanoparticles (NPs) and polymer brushes (PBs) are explored using dissipative particle dynamics simulations and an original "ghost tweezers" method that emulates lab experiments performed with optical or magnetic tweezers. The ghost tweezers method is employed to calculate the free energy of adhesion. Ghost tweezers represents a virtual harmonic potential, which tethers NP with a spring to a given anchor point. The average spring force represents the effective force of NP-PB interaction as a function of the NP coordinate. The free energy landscape of NP-PB interactions is calculated as the mechanical work needed to transfer NP from the solvent bulk to a particular distance from the substrate surface. With this technique, we explore the adhesion of bare and ligand-functionalized spherical NPs to polyisoprene natural rubber brush in acetone-benzene binary solvent. We examine two basic mechanisms of NP-PB interactions, NP adhesion at PB exterior and NP immersion into PB, which are governed by interplay between entropic repulsive forces and enthalpic attractive forces caused by polymer adsorption at the NP surface and ligand adsorption at the substrate. The relative free energies of the equilibrium adhesion states and the potential barriers separating these states are calculated at varying grafting density, NP size, and solvent composition. |
| abstract_unstemmed |
Mechanisms of interactions between nanoparticles (NPs) and polymer brushes (PBs) are explored using dissipative particle dynamics simulations and an original "ghost tweezers" method that emulates lab experiments performed with optical or magnetic tweezers. The ghost tweezers method is employed to calculate the free energy of adhesion. Ghost tweezers represents a virtual harmonic potential, which tethers NP with a spring to a given anchor point. The average spring force represents the effective force of NP-PB interaction as a function of the NP coordinate. The free energy landscape of NP-PB interactions is calculated as the mechanical work needed to transfer NP from the solvent bulk to a particular distance from the substrate surface. With this technique, we explore the adhesion of bare and ligand-functionalized spherical NPs to polyisoprene natural rubber brush in acetone-benzene binary solvent. We examine two basic mechanisms of NP-PB interactions, NP adhesion at PB exterior and NP immersion into PB, which are governed by interplay between entropic repulsive forces and enthalpic attractive forces caused by polymer adsorption at the NP surface and ligand adsorption at the substrate. The relative free energies of the equilibrium adhesion states and the potential barriers separating these states are calculated at varying grafting density, NP size, and solvent composition. |
| collection_details |
GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-PHY SSG-OLC-CHE SSG-OLC-PHA SSG-OLC-DE-84 GBV_ILN_21 GBV_ILN_59 GBV_ILN_70 GBV_ILN_2016 GBV_ILN_2279 |
| container_issue |
3 |
| title_short |
Adhesion of nanoparticles to polymer brushes studied with the ghost tweezers method |
| url |
http://dx.doi.org/10.1063/1.4905894 http://www.ncbi.nlm.nih.gov/pubmed/25612723 |
| remote_bool |
false |
| author2 |
Vishnyakov, Aleksey Neimark, Alexander V |
| author2Str |
Vishnyakov, Aleksey Neimark, Alexander V |
| ppnlink |
129079049 |
| mediatype_str_mv |
n |
| isOA_txt |
false |
| hochschulschrift_bool |
false |
| author2_role |
oth oth |
| doi_str |
10.1063/1.4905894 |
| up_date |
2024-07-03T18:55:21.420Z |
| _version_ |
1803585240614043648 |
| fullrecord_marcxml |
<?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01000caa a2200265 4500</leader><controlfield tag="001">OLC1965728235</controlfield><controlfield tag="003">DE-627</controlfield><controlfield tag="005">20230714164312.0</controlfield><controlfield tag="007">tu</controlfield><controlfield tag="008">160206s2015 xx ||||| 00| ||eng c</controlfield><datafield tag="024" ind1="7" ind2=" "><subfield code="a">10.1063/1.4905894</subfield><subfield code="2">doi</subfield></datafield><datafield tag="028" ind1="5" ind2="2"><subfield code="a">PQ20160617</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-627)OLC1965728235</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-599)GBVOLC1965728235</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(PRQ)c931-35a949e02c7b683f59efd591baacede932134a82030be28684e52b96ac6f54ec0</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(KEY)0048355920150000142000300000adhesionofnanoparticlestopolymerbrushesstudiedwith</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-627</subfield><subfield code="b">ger</subfield><subfield code="c">DE-627</subfield><subfield code="e">rakwb</subfield></datafield><datafield tag="041" ind1=" " ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="082" ind1="0" ind2="4"><subfield code="a">540</subfield><subfield code="a">530</subfield><subfield code="q">DNB</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Cheng, Jianli</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Adhesion of nanoparticles to polymer brushes studied with the ghost tweezers method</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">2015</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">Text</subfield><subfield code="b">txt</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">ohne Hilfsmittel zu benutzen</subfield><subfield code="b">n</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">Band</subfield><subfield code="b">nc</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">Mechanisms of interactions between nanoparticles (NPs) and polymer brushes (PBs) are explored using dissipative particle dynamics simulations and an original "ghost tweezers" method that emulates lab experiments performed with optical or magnetic tweezers. The ghost tweezers method is employed to calculate the free energy of adhesion. Ghost tweezers represents a virtual harmonic potential, which tethers NP with a spring to a given anchor point. The average spring force represents the effective force of NP-PB interaction as a function of the NP coordinate. The free energy landscape of NP-PB interactions is calculated as the mechanical work needed to transfer NP from the solvent bulk to a particular distance from the substrate surface. With this technique, we explore the adhesion of bare and ligand-functionalized spherical NPs to polyisoprene natural rubber brush in acetone-benzene binary solvent. We examine two basic mechanisms of NP-PB interactions, NP adhesion at PB exterior and NP immersion into PB, which are governed by interplay between entropic repulsive forces and enthalpic attractive forces caused by polymer adsorption at the NP surface and ligand adsorption at the substrate. The relative free energies of the equilibrium adhesion states and the potential barriers separating these states are calculated at varying grafting density, NP size, and solvent composition.</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Acetone - chemistry</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Butadienes - chemistry</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Pentanes - chemistry</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Hemiterpenes - chemistry</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Solvents - chemistry</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Benzene - chemistry</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Rubber - chemistry</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Polymers - chemistry</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Nanoparticles - chemistry</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Vishnyakov, Aleksey</subfield><subfield code="4">oth</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Neimark, Alexander V</subfield><subfield code="4">oth</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">Enthalten in</subfield><subfield code="t">The journal of chemical physics</subfield><subfield code="d">Melville, NY : AIP, 1933</subfield><subfield code="g">142(2015), 3</subfield><subfield code="w">(DE-627)129079049</subfield><subfield code="w">(DE-600)3113-6</subfield><subfield code="w">(DE-576)014411660</subfield><subfield code="x">0021-9606</subfield><subfield code="7">nnns</subfield></datafield><datafield tag="773" ind1="1" ind2="8"><subfield code="g">volume:142</subfield><subfield code="g">year:2015</subfield><subfield code="g">number:3</subfield></datafield><datafield tag="856" ind1="4" ind2="1"><subfield code="u">http://dx.doi.org/10.1063/1.4905894</subfield><subfield code="3">Volltext</subfield></datafield><datafield tag="856" ind1="4" ind2="2"><subfield code="u">http://www.ncbi.nlm.nih.gov/pubmed/25612723</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_USEFLAG_A</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SYSFLAG_A</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_OLC</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OLC-PHY</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OLC-CHE</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OLC-PHA</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OLC-DE-84</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_21</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_59</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_70</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2016</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2279</subfield></datafield><datafield tag="951" ind1=" " ind2=" "><subfield code="a">AR</subfield></datafield><datafield tag="952" ind1=" " ind2=" "><subfield code="d">142</subfield><subfield code="j">2015</subfield><subfield code="e">3</subfield></datafield></record></collection>
|
| score |
7.3984594 |