Melting mechanism of monolayers adsorbed in cylindrical pores: An influence of the pore wall roughness

Kuchta, B; Firlej, Lucyna; Denoyel, Renaud; Boulet, Pascal; Rols, S.; Johnson, Mark R.

doi:10.1016/j.apsusc.2006.12.097

Cited by 4 publications

(2 citation statements)

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“…For small corrugation ͑model 1͒, the temperature dependence of ⌽ 6 parameter is similar to that observed for smooth wall, 31 although some important differences are evident. It also shows that the mechanism of melting is very sensitive to the details of the heterogeneity model.…”

Section: Numerical Resultssupporting

confidence: 67%

Melting mechanism of monolayers adsorbed in cylindrical pores: The influence of the pore wall roughness

Kuchta¹,

Firlej

Denoyel³

et al. 2008

The Journal of Chemical Physics

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We have analyzed the mechanism of melting of molecular layers adsorbed in porous materials with cylindrical pores and rough pore walls. The working example studied here is a monolayer of methane molecules adsorbed in MCM-41 pore of diameter 2R=4 nm. Both experimental (neutron scattering) and simulation (Monte Carlo) results demonstrate the strong influence of the wall roughness on the melting mechanism. In particular, the transformation between solidlike and liquidlike monolayer phases adsorbed on a rough surface is observed over a broad temperature range, and solidlike properties persist even above the bulk methane melting temperature.

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Section: Numerical Resultssupporting

confidence: 67%

Melting mechanism of monolayers adsorbed in cylindrical pores: The influence of the pore wall roughness

Kuchta¹,

Firlej

Denoyel³

et al. 2008

The Journal of Chemical Physics

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“…The large surface area allows us to directly observe the interaction between molecules adsorbed on the surface and the surface to which they are attached using solid state NMR [39], where often sensitivity problems are encountered. Other interesting characteristics of MCM-41 include its smooth pore surface [40,41], high porosity, controllable and narrowly distributed pore sizes, high thermal stability [39] and the possibility of modifying and functionalizing the pore surface [42].…”

Section: Introductionmentioning

confidence: 99%

Melting of Low Molecular Weight Compounds in Confinement Observed by²H-Solid State NMR: Biphenyl, a Case Study

Amadeu

Grünberg

Frydel

et al. 2012

Zeitschrift Für Physikalische Chemie

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The 2H-NMR solid echo spectra of biphenyl molecules as guests in the mesopores of neat and silylated SBA-15 have been measured as a function of temperature. At low temperatures typical 2H-Pake patterns with parameters of (Q zz =132 kHz, corresponding to Q cc =176 kHz) and (η=0.04) are observed. All samples exhibit a strong reduction of the melting point from the bulk value of 342.4 K to values between 222 K and 229 K, depending on both the pore diameter and the surface state and a glass like behavior of the biphenyl molecules in the melting regime. Employing the Roessler two-phase model of the modeling of glass-transitions by 2H-solid state NMR the distribution of activation energies for the rotational motions has been determined. At temperatures closely below the glass-transition temperature deviations from a static Pake pattern of an aromatic deuteron are observed, which indicate a pre-melting motion of biphenyl, which could be caused by C2-ring flips of the phenyl rings.

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Effects of Quenched Disorder on Liquid Crystal: A Simulation of Rough Cylinder Confinement

2015

Lecture Notes in Computer Science

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Melting mechanism of monolayers adsorbed in cylindrical pores: An influence of the pore wall roughness

Cited by 4 publications

References 18 publications

Melting mechanism of monolayers adsorbed in cylindrical pores: The influence of the pore wall roughness

Melting mechanism of monolayers adsorbed in cylindrical pores: The influence of the pore wall roughness

Melting of Low Molecular Weight Compounds in Confinement Observed by²H-Solid State NMR: Biphenyl, a Case Study

Effects of Quenched Disorder on Liquid Crystal: A Simulation of Rough Cylinder Confinement

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Melting mechanism of monolayers adsorbed in cylindrical pores: An influence of the pore wall roughness

Cited by 4 publications

References 18 publications

Melting mechanism of monolayers adsorbed in cylindrical pores: The influence of the pore wall roughness

Melting mechanism of monolayers adsorbed in cylindrical pores: The influence of the pore wall roughness

Melting of Low Molecular Weight Compounds in Confinement Observed by2H-Solid State NMR: Biphenyl, a Case Study

Effects of Quenched Disorder on Liquid Crystal: A Simulation of Rough Cylinder Confinement

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Product

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Melting of Low Molecular Weight Compounds in Confinement Observed by²H-Solid State NMR: Biphenyl, a Case Study