Adsorption and Diffusion of Methane in Coal Slit Pores: Insights into the Molecular Level

Author(s):  
Min Hao ◽  
Chengmin Wei ◽  
Heng Zhang
1996 ◽  
Vol 431 ◽  
Author(s):  
Vishwas Gupta ◽  
H. Ted Davis ◽  
Alon V. McCormick

AbstractComputer modeling of fluids in zeolites can provide a detailed molecular level understanding of the process of adsorption and diffusion under the influence of the 3-D potential field and the confinement offered by the crystal structure. We have shown that there is a strong link between the location, geometry and energetics of sites and the observed thermodynamics and spectroscopy of the adsorbates. Here we report on the modeling of Xe in zeolite Y, which is of interest both because it is commercially important and because it offers two distinct adsorption sites.


Soft Matter ◽  
2020 ◽  
Vol 16 (11) ◽  
pp. 2664-2668
Author(s):  
Mane Jyothi ◽  
Mari Annadhasan ◽  
Vuppu Vinay Pradeep ◽  
Rajadurai Chandrasekar

Time-dependent monitoring of aggregation-induced fluorescence of a model compound unearth hitherto unknown molecular level events such as the onset of molecular aggregation, their growth, size, and diffusion dynamics.


1976 ◽  
Vol 32 ◽  
pp. 109-116 ◽  
Author(s):  
S. Vauclair

This paper gives the first results of a work in progress, in collaboration with G. Michaud and G. Vauclair. It is a first attempt to compute the effects of meridional circulation and turbulence on diffusion processes in stellar envelopes. Computations have been made for a 2 Mʘstar, which lies in the Am - δ Scuti region of the HR diagram.Let us recall that in Am stars diffusion cannot occur between the two outer convection zones, contrary to what was assumed by Watson (1970, 1971) and Smith (1971), since they are linked by overshooting (Latour, 1972; Toomre et al., 1975). But diffusion may occur at the bottom of the second convection zone. According to Vauclair et al. (1974), the second convection zone, due to He II ionization, disappears after a time equal to the helium diffusion time, and then diffusion may happen at the bottom of the first convection zone, so that the arguments by Watson and Smith are preserved.


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