The melting line for ethylene on graphite

Larese, J. Z.; Rollefson, R.

doi:10.1016/0167-2584(83)90464-4

Cited by 1 publication

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“…The third layer features on the graphite surface, although less prominent in the isotherms, are readily distinguishable in the derivative plot (Figure ). As in earlier studies − , using the method of Lahrer, the peak positions ( p f i ) were determined using Gaussian fits to the numerical derivative peaks and were plotted vs inverse temperature (see Figures , , and ) and used to determine several thermodynamic quantities using a modification of Clausius–Clapeyron equation The slope ( A ( n ) ) and intercept ( B ( n ) ) of these resulting linear plots were used to deduce the thermodynamic properties such as heats of adsorption, differential enthalpies, and differential entropies of the adsorbed molecular layers (see Table ). In this study, it is found that the heat of adsorption ( Q ads ( n ) ) of cyclopentane is the greatest on graphite, at 35.07 kJmol –1 while on hBN and MgO(100) these are 32.47 kJmol –1 and 29.25 kJmol –1 respectively.…”

Section: Resultsmentioning

confidence: 99%

Adsorption of Cyclopentane on MgO(100), Hexagonal Boron Nitride, and Graphite Basal Planes: A Thermodynamic and Modeling Study

Wahida

Larese

2018

J. Phys. Chem. C

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The adsorption of cyclopentane on the surface of magnesium oxide(100), hexagonal boron nitride (hBN), and the graphite (basal plane) crystalline nanoparticles was studied to investigate how surface symmetry influences the physicochemical properties. The effects of symmetry mismatch between the molecular adsorbate and the surface is clearly reflected in the layering behavior as established by a series of high-resolution volumetric adsorption isotherms recorded over the temperature range of 195–264 K on each of the substrates. Two distinct layering transitions were observed on MgO(100) and hBN, whereas three were recorded on graphite basal plane. The heat of adsorption, differential enthalpy, and differential entropy were calculated from the adsorption isotherms. The locations of potential phase transitions were identified using the two-dimensional (2D) isothermal compressibility as a function of temperature and coverage. Additional insight into the microscopic structure and dynamics of the adsorbed layers was revealed using classical molecular dynamics (MD) simulations. Molecular trajectories generated in the temperature range of 5–500 K were used to obtain the concentration profiles (C(z)) of the adsorbed layers perpendicular to the surface. The simulations were also used to determine the radial distribution function (RDF) to examine the effects of surface symmetry on the spatial order within the solid molecular films. The results reported here form the foundation for future investigations using neutron and X-ray scattering techniques.

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