Add to ORKGA simulation method is presented to calculate efficiently the pore size distribution of microporous materials. The microporosity of several typical zeolites is analysed. The effects of the inaccessible pores and non-framework cations on the pore size distribution of zeolites have also been studied. Molecular simulations of Ar adsorption are used to investigate the correlations between the adsorption isotherms and the pore size distribution. The feasibility to derive the pore size distribution of zeolite micropores directly from adsorption isotherms is discussed
A recently-developed Monte Carlo method is used to simulate the energetics of n-alkanes from butane ...
An analytical theory is presented for the adsorption of fluids confined in zeolites, molecular sieve...
University of Minnesota Ph.D. dissertation.August 2014. Major: Material Science and Engineering. Ad...
A simulation method is presented to calculate efficiently the pore size distribution of microporous ...
Factors such as adsorbate size, shape and polarity coupled with adsorbent pore structure, pore size ...
The development of industrial software, the decreasing cost of computing time, and the ava...
Computational methods to calculate the properties of zeolites in gas adsorption and separation have ...
Physisorption methods as routine tools for the characterization of micro- and mesopores of new mater...
Zeolites are microporous materials with pores that have about the same size as small molecules like ...
Theoretical investigation of microporous materials for adsorption and catalysis Microporous material...
The primary goal of this thesis is to apply thermodynamic, statistical mechanical and computer simul...
Molecular dynamics simulations were carried out to explore the kinetic and structural properties of ...
A Grand Canonical Monte Carlo simulation method is used to determine the adsorption isotherms, inter...
The force fields used to simulate the gas adsorption in porous materials are strongly dominated by t...
The adsorption of water on hydrophobic zeolites such as silicalite and on hydrophilic MOF (metal-org...
A recently-developed Monte Carlo method is used to simulate the energetics of n-alkanes from butane ...
An analytical theory is presented for the adsorption of fluids confined in zeolites, molecular sieve...
University of Minnesota Ph.D. dissertation.August 2014. Major: Material Science and Engineering. Ad...
A simulation method is presented to calculate efficiently the pore size distribution of microporous ...
Factors such as adsorbate size, shape and polarity coupled with adsorbent pore structure, pore size ...
The development of industrial software, the decreasing cost of computing time, and the ava...
Computational methods to calculate the properties of zeolites in gas adsorption and separation have ...
Physisorption methods as routine tools for the characterization of micro- and mesopores of new mater...
Zeolites are microporous materials with pores that have about the same size as small molecules like ...
Theoretical investigation of microporous materials for adsorption and catalysis Microporous material...
The primary goal of this thesis is to apply thermodynamic, statistical mechanical and computer simul...
Molecular dynamics simulations were carried out to explore the kinetic and structural properties of ...
A Grand Canonical Monte Carlo simulation method is used to determine the adsorption isotherms, inter...
The force fields used to simulate the gas adsorption in porous materials are strongly dominated by t...
The adsorption of water on hydrophobic zeolites such as silicalite and on hydrophilic MOF (metal-org...
A recently-developed Monte Carlo method is used to simulate the energetics of n-alkanes from butane ...
An analytical theory is presented for the adsorption of fluids confined in zeolites, molecular sieve...
University of Minnesota Ph.D. dissertation.August 2014. Major: Material Science and Engineering. Ad...