Diffusion of gases in porous solids: simulation and measurement. Final technical report

Technical Report · Wed Jan 01 04:00:00 EST 1986

OSTI ID:5982295

Evans, J W

The theoretical part of this investigation has achieved its objective. By means of the Monte Carlo simulation the Knudsen diffusion of gases in ''Swiss cheese'' solid has been studied and shown to yield results similar to studies on the ''cannonball'' solids that were the subject of a prior investigation at Berkeley. A correlation was developed that permits a prediction of the Knudsen diffusion coefficient of any gas in any porous solid with a monodisperse pore size distribution. The Monte Carlo technique has also been used to simulate ordinary diffusion in porous solids of both Swiss cheese and cannonball types, and a predictive correlation developed for this regime also. An unanticipated result of this study was the recognition of the analogy between diffusion of a gas in a porous solid and other transport phenomena in heterogeneous media. The Berkeley investigation has drawn together data from the Monte Carlo simulation, empirical predictive equations from the diffusion literature and classical results from theoretical physics on conduction in hetergeneous media. Finally the Monte Carlo technique was extended to porous solids with a bidisperse pore structure and it was again shown that the results are consistent with expectations. The experimental phase of this investigation has been successful in measuring the viscosites and diffusivities of a number of gases over a wide range of temperature of practical interest. The experimental results have been in agreement with the experimental data of others (mostly at lower temperature) and with theoretical predictions, in most instances. 17 refs., 26 figs.

• Research Organization: California Univ., Berkeley (USA). Dept. of Materials Science and Mineral Engineering
• DOE Contract Number: FG22-82PC50796
• OSTI ID: 5982295
• Report Number(s): DOE/PC/50796-T9; ON: DE86005380
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
400301 -- Organic Chemistry-- Chemical & Physicochemical Properties-- (-1987)
ALKANES
ARGON
CARBON COMPOUNDS
CARBON DIOXIDE
CARBON OXIDES
CHALCOGENIDES
DATA
DIFFUSION
ELEMENTS
EXPERIMENTAL DATA
FLUIDS
GASEOUS DIFFUSION
GASES
HIGH TEMPERATURE
HYDROCARBONS
INFORMATION
MATERIALS
MEDIUM TEMPERATURE
METHANE
MONTE CARLO METHOD
NITROGEN
NONMETALS
NUMERICAL DATA
ORGANIC COMPOUNDS
OXIDES
OXYGEN COMPOUNDS
PERMEABILITY
POROUS MATERIALS
RARE GASES
RESEARCH PROGRAMS
SIMULATION
TEMPERATURE DEPENDENCE
VISCOSITY