A cluster-exact approximation study of the adsorption of binary mixtures on heterogeneous surfaces
Source abstract
Abstract
Abstract The adsorption of binary mixtures on heterogeneous surfaces is studied by a cluster approximation (CA), based on the exact calculation of configurations on finite cells. The substrate is characterized by n types of sites, each with different adsorption energy. The process is monitored through the total and partial isotherms. The theoretical formalism is used to model experimental data of methane–ethane mixtures adsorbed on a template-synthesized carbon. The CA results are compared with the ones corresponding to the well-known Ideal Adsorbed Solution Theory (IAST). Even though a good fitting is obtained from IAST, it is found that CA is a more accurate model to estimate the binary data on the highly heterogeneous carbon sample.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: nanoparticles nucleation surface interactions · Electrostatics and Colloid Interactions · Theoretical and Computational Physics
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (54)
Show source-provided references
1. Steele · 1974
2. Keller · 2005
3. Tóth · 2002
4. Rudziński · 1992
5. Rudziński · 1997
6. The adsorption of gases on plane surfaces of glass, mica and platinum10.1021/ja02242a004 ↗
7. Adsorption of gases in multimolecular layers10.1021/ja01269a023 ↗
8. Guggenheim · 1966
9. Modifications of the Brunauer, Emmett and Teller equation10.1021/ja01208a049 ↗
10. de Boer · 1968
11. Frenkel · 1955
12. Physical adsorption on non-uniform surfaces10.1063/1.1746689 ↗
13. Theory of physical adsorption10.1016/S0360-0564(08)60615-X ↗
14. Surface heterogeneity and the solid's absolute surface area10.1016/0021-9797(87)90033-6 ↗
15. Multilayer adsorption and desorption: Cs and Li on Ru(0001)10.1103/PhysRevB.54.5073 ↗
16. Phase transitions and adsorption isotherm in multilayer adsorbates with lateral interactions10.1016/S0378-4371(02)00828-2 ↗
17. A simple model for studying multilayer adsorption of noninteracting polyatomic species on homogeneous and heterogeneous surfaces10.1063/1.3139301 ↗
18. Statistical Mechanics of Multilayer Sorption: Extension of the Brunauer-Emmett-Teller (BET) and Guggenheim-Anderson-de Boer(GAB) Adsorption Isotherms10.1021/jp203879d ↗
19. Statistical mechanics of multilayer sorption: 2. Systems containing multiple solutes10.1021/jp2084154 ↗
20. Molecular simulations of zeolites: adsorption, diffusion, and shape selectivity10.1021/cr8002642 ↗
21. Adsorption separation of CO2/CH4 gas mixture on the commercial zeolites at atmospheric pressure10.1016/j.cej.2013.05.101 ↗
22. Rapid calculations of multicomponent adsorption equilibria from pure isotherm data10.1021/i200031a049 ↗
23. Synergism at a liquid–solid interface. Adsorption of binary mixtures of bile salts onto a cholesterol surface10.1021/la00016a047 ↗
24. Calorimetric heats of adsorption and adsorption isotherms. 1. O2, N2, Ar, CO2, CH4, C2H6 and SF6 on silicalite10.1021/la960495z ↗
25. Calorimetric heats of adsorption and adsorption isotherms. 2. O2, N2, Ar, CO2, CH4, C2H6 and SF6 on NaX, H-ZSM-5, and NBa-ZSM-5 zeolites10.1021/la960496r ↗
26. Adsorption of CH4–CF4 mixtures in silicalite: simulation, experiment, and theory10.1021/la9708039 ↗
27. A Monte Carlo study of adsorption from mixtures of dimers and monomers on heterogeneous solid surfaces10.1021/la950940a ↗
28. Monte-Carlo simulation and mean-field theory interpretation of adsorption preference reversal in isotherms of alkane binary mixtures in zeolites at elevated pressures10.1016/S0009-2614(02)01031-X ↗
29. Monte Carlo study of multicomponent adsorption on triangular lattices10.1016/j.susc.2008.03.014 ↗
30. Exact statistical thermodynamics of alkane binary mixtures in zeolites: new interpretation of the adsorption preference reversal phenomenon from multisite-occupancy theory10.1016/j.cplett.2009.07.031 ↗
31. Monte Carlo study of binary mixtures adsorbed on square lattices10.1016/j.susc.2011.09.002 ↗
32. Monte Carlo study of adsorption of additive gas mixture10.1007/s10450-015-9753-x ↗
33. Isosteric heats of multicomponent gas adsorption on heterogeneous adsorbents10.1021/la00060a027 ↗
34. Role of adsorbent heterogeneity on mixed gas adsorption10.1021/ie00053a027 ↗
35. Influence of adsorbate size and adsorbent heterogeneity on IAST10.1002/aic.690410509 ↗
36. Adsorption of binary mixtures on two-dimensional surfaces: theory and Monte Carlo simulations10.1007/s10450-014-9627-7 ↗
37. Study of the adsorption of interacting dimers on square lattices by using a cluster-exact approximation10.1016/S0039-6028(03)00743-X ↗
38. Critical behavior of repulsive linear k-mers on square lattices at half coverage: theory and Monte Carlo simulations10.1103/PhysRevB.68.205407 ↗
39. An ideal Absorbed Solution Theory (IAST) study of adsorption equilibria of binary mixtures of methane and ethane on a templated carbon10.1021/je101099c ↗
40. Thermodynamics of mixed-gas adsorption10.1002/aic.690110125 ↗
41. Application of IAST in the prediction of multicomponent adsorption equilibrium of gases in heterogeneous solids: micropore size distribution versus energy distribution10.1021/ie990548i ↗
42. On the performance of HIAST and IAST in the prediction of multicomponent adsorption equilibria10.1016/S1383-5866(00)00087-3 ↗
43. Preparation and adsorption performance of GrO@Cu-BTC for Separation of CO2/CH410.1021/ie501040s ↗
44. Hill · 1960
45. Dimer physisorption on heterogeneous substrates10.1016/0039-6028(95)00665-6 ↗
46. Adsorption of Linear k-mers on heterogeneous surfaces with simple topographies10.1021/la990643w ↗
47. Adsorption of dimers on heterogeneous surfaces: scaling behavior for the adsorption isotherms10.1016/S0378-4371(02)00809-9 ↗
48. Scaling behavior in adsorption on bivariate surfaces and the determination of energetic topography10.1063/1.1379737 ↗
49. Effective states approximation (ESA) for adsorption on homogeneous and heterogeneous surfaces10.1016/S0169-4332(02)00049-1 ↗
50. Adsorption of interacting particles on square, honeycomb and triangular correlated heterogeneous surfaces10.1016/S0039-6028(03)00538-7 ↗
51. Methane storage in a template-synthesized carbon10.1016/j.seppur.2008.08.007 ↗
52. Characterization of a zeolite-templated carbon for H2 storage application10.1016/j.micromeso.2008.09.029 ↗
53. Press · 1992
54. On the theoretical origin and applicability of the potential theory approach to predict mixed-gas adsorption on solid surfaces from single-gas adsorption isotherms10.1016/0009-2509(95)00100-J ↗