Ye. Lozovik et al., POSSIBILITY OF SELECTIVE ADSORPTION OF MOLECULES ON A MODIFIED SURFACE, Journal of physical chemistry, 99(36), 1995, pp. 13480-13486
The possibility is considered of using a surface modified to have pits
of certain shape and size to effect a selective adsorption of molecul
es thereon. A theoretical analysis of the thermodynamics and the kinet
ics of the selective adsorption of molecules on the modified surface i
s performed. A ''surface modification efficacy parameter'', gamma, is
suggested, equal to the ratio of the concentrations of molecules in th
e pits and on the unmodified surface. The expressions for the paramete
r gamma are derived with the help of both the thermodynamic and the ki
netic approaches. The parameter gamma is estimated with the help of co
mputer simulation by considering as an example the adsorption of argon
atoms and acetylene and benzene molecules in the pits of the graphite
surface.