Freezing/melting behaviour within carbon nanotubes

We report a study of the freezing and melting of fluids confined within multi-walled carbon nanotubes with an internal diameter of 5 nm, using experimental measurements and molecular simulations. Dielectric relaxation spectroscopy was used to determine the experimental melting points and relaxation...

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Published inMolecular physics Vol. 102; no. 2; pp. 223 - 234
Main Authors Hung, Francisco R., Dudziak, Grazyna, Sliwinska-Bartkowiak, Malgorzata, Gubbins, Keith E.
Format Journal Article
LanguageEnglish
Published Taylor & Francis Group 20.01.2004
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Abstract We report a study of the freezing and melting of fluids confined within multi-walled carbon nanotubes with an internal diameter of 5 nm, using experimental measurements and molecular simulations. Dielectric relaxation spectroscopy was used to determine the experimental melting points and relaxation times of nitrobenzene and carbon tetrachloride within carbon nanotubes, and parallel tempering Monte Carlo simulations in the grand canonical ensemble were performed for confined carbon tetrachloride. The simulations show that the adsorbate forms concentric layers that solidify into quasi-two-dimensional hexagonal crystals with defects; highly defective microcrystalline regions are formed in the inner layers, owing to the strong geometrical constraints. Our simulations show no formation of common three-dimensional crystalline structures (fcc, hcp, bcc, sc or icosahedral) in confinement. The results suggest the presence of inhomogeneous phases (i.e., combinations of crystalline and liquid regions) within the pore over extended temperature ranges. Our results indicate that the outer layers of adsorbate solidify at temperatures slightly higher than the bulk freezing point, whereas the inner layers freeze at lower temperatures. The simulation results are in good agreement with the experimental measurements.
AbstractList We report a study of the freezing and melting of fluids confined within multi-walled carbon nanotubes with an internal diameter of 5 nm, using experimental measurements and molecular simulations. Dielectric relaxation spectroscopy was used to determine the experimental melting points and relaxation times of nitrobenzene and carbon tetrachloride within carbon nanotubes, and parallel tempering Monte Carlo simulations in the grand canonical ensemble were performed for confined carbon tetrachloride. The simulations show that the adsorbate forms concentric layers that solidify into quasi-two-dimensional hexagonal crystals with defects; highly defective microcrystalline regions are formed in the inner layers, owing to the strong geometrical constraints. Our simulations show no formation of common three-dimensional crystalline structures (fcc, hcp, bcc, sc or icosahedral) in confinement. The results suggest the presence of inhomogeneous phases (i.e., combinations of crystalline and liquid regions) within the pore over extended temperature ranges. Our results indicate that the outer layers of adsorbate solidify at temperatures slightly higher than the bulk freezing point, whereas the inner layers freeze at lower temperatures. The simulation results are in good agreement with the experimental measurements.
Author Dudziak, Grazyna
Hung, Francisco R.
Sliwinska-Bartkowiak, Malgorzata
Gubbins, Keith E.
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Cites_doi 10.1063/1.475261
10.1063/1.1358862
10.1021/jp0036487
10.1103/PhysRevE.67.036115
10.1063/1.481742
10.1080/00268979909483070
10.1051/jp4:2000719
10.1063/1.465023
10.1021/la9814642
10.1021/jp012391p
10.1063/1.480282
10.1051/jp4:2000718
10.1021/jp993919h
10.1080/13642819908223069
10.1021/la0208474
10.1063/1.473415
10.1063/1.1329343
10.1021/jp9907692
10.1063/1.481671
10.1063/1.1488585
10.1103/PhysRevB.28.784
10.1063/1.1308516
10.1103/PhysRev.176.250
10.1063/1.481745
10.1103/PhysRevLett.89.076101
10.1063/1.1385795
10.1088/0953-8984/13/11/201
10.1021/la991659p
10.1093/oso/9780198556022.001.0001
10.1063/1.1531071
10.1039/b010086m
10.1103/PhysRevE.64.051507
10.1021/la000649h
10.1063/1.1501120
10.1088/0034-4885/62/12/201
10.1021/la015607n
10.1016/0039-6028(73)90264-1
10.1166/jnn.2002.139
10.1103/PhysRevLett.86.3807
10.1039/f29868201789
10.1063/1.1456504
10.1080/00268979909482954
10.1038/35090532
10.1063/1.1560938
10.1063/1.1426412
10.1016/S0167-2991(02)80162-8
10.1063/1.1401825
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References Morineau D (bib50) 1999; 79
bib36
bib35
bib32
bib30
bib31
bib29
bib27
bib28
Chelkowski A (bib34) 1980
bib40
bib47
bib48
bib43
bib44
bib41
bib9
bib7
bib8
bib5
bib6
bib3
bib38
bib4
bib1
bib2
bib51
Frenkel D (bib42) 2002
bib14
Landau LD (bib46) 1965
bib15
bib12
bib13
bib10
bib11
bib52
bib49
Gray CG (bib45) 1984
bib25
bib26
bib23
bib24
bib21
Neirotti JP (bib39) 2000; 112
bib22
Steele WA (bib37) 1974
bib20
Debye P (bib33) 1929
bib18
bib19
bib16
bib17
References_xml – ident: bib4
  doi: 10.1063/1.475261
– ident: bib14
  doi: 10.1063/1.1358862
– ident: bib40
  doi: 10.1021/jp0036487
– ident: bib31
  doi: 10.1103/PhysRevE.67.036115
– volume-title: Dielectric Physics
  year: 1980
  ident: bib34
  contributor:
    fullname: Chelkowski A
– ident: bib10
  doi: 10.1063/1.481742
– ident: bib6
  doi: 10.1080/00268979909483070
– ident: bib51
  doi: 10.1051/jp4:2000719
– ident: bib43
  doi: 10.1063/1.465023
– ident: bib7
  doi: 10.1021/la9814642
– ident: bib25
  doi: 10.1021/jp012391p
– ident: bib38
  doi: 10.1063/1.480282
– ident: bib52
  doi: 10.1051/jp4:2000718
– ident: bib11
  doi: 10.1021/jp993919h
– volume-title: Academic Press
  year: 2002
  ident: bib42
  contributor:
    fullname: Frenkel D
– volume: 79
  start-page: 1847
  year: 1999
  ident: bib50
  publication-title: Philos. Mag. B
  doi: 10.1080/13642819908223069
  contributor:
    fullname: Morineau D
– ident: bib28
  doi: 10.1021/la0208474
– ident: bib3
  doi: 10.1063/1.473415
– ident: bib17
  doi: 10.1063/1.1329343
– ident: bib8
  doi: 10.1021/jp9907692
– volume: 112
  start-page: 10 340
  year: 2000
  ident: bib39
  publication-title: J. chem. Phys.
  doi: 10.1063/1.481671
  contributor:
    fullname: Neirotti JP
– ident: bib27
  doi: 10.1063/1.1488585
– ident: bib44
  doi: 10.1103/PhysRevB.28.784
– ident: bib48
  doi: 10.1063/1.1308516
– ident: bib47
  doi: 10.1103/PhysRev.176.250
– ident: bib12
  doi: 10.1063/1.481745
– ident: bib22
  doi: 10.1103/PhysRevLett.89.076101
– ident: bib41
  doi: 10.1063/1.1385795
– ident: bib2
  doi: 10.1088/0953-8984/13/11/201
– ident: bib13
  doi: 10.1021/la991659p
– volume-title: Theory of Molecular Liquids
  year: 1984
  ident: bib45
  doi: 10.1093/oso/9780198556022.001.0001
  contributor:
    fullname: Gray CG
– ident: bib29
  doi: 10.1063/1.1531071
– ident: bib16
  doi: 10.1039/b010086m
– ident: bib19
  doi: 10.1103/PhysRevE.64.051507
– volume-title: The Interaction of Gases with Solid Surfaces
  year: 1974
  ident: bib37
  contributor:
    fullname: Steele WA
– ident: bib9
  doi: 10.1021/la000649h
– ident: bib23
  doi: 10.1063/1.1501120
– ident: bib1
  doi: 10.1088/0034-4885/62/12/201
– ident: bib24
  doi: 10.1021/la015607n
– ident: bib36
  doi: 10.1016/0039-6028(73)90264-1
– ident: bib32
  doi: 10.1166/jnn.2002.139
– volume-title: Quantum Mechanics
  year: 1965
  ident: bib46
  contributor:
    fullname: Landau LD
– ident: bib15
  doi: 10.1103/PhysRevLett.86.3807
– ident: bib35
  doi: 10.1039/f29868201789
– ident: bib49
  doi: 10.1063/1.1456504
– ident: bib5
  doi: 10.1080/00268979909482954
– ident: bib18
  doi: 10.1038/35090532
– volume-title: Polar Molecules
  year: 1929
  ident: bib33
  contributor:
    fullname: Debye P
– ident: bib30
  doi: 10.1063/1.1560938
– ident: bib21
  doi: 10.1063/1.1426412
– ident: bib26
  doi: 10.1016/S0167-2991(02)80162-8
– ident: bib20
  doi: 10.1063/1.1401825
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