Molecular Simulation

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File Type: Data

31 to 40 of 100 Results

pore_amorph_cyclopentane_diffusion_einstein.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 25.0 KB - MD5: af87640b5e3b3f0f93ed5e3b8ad53e32 Radial diffusion profile of the center of mass of cyclopentane within the pore determined using the Einstein method from a simulation of an amorphous pore with pure cyclopentane simulated at 295K in HDF5 format.
pore_amorph_cyclopentane_diffusion_smoluchowski.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 878.7 KB - MD5: fd2fc9ee4f7b6a264b955514833c3059 Diffusion profile of the center of mass of cyclopentane along the simulation box determined using the Smoluchowski method from a simulation of an amorphous pore with pure cyclopentane simulated at 295K in HDF5 format.
pore_amorph_heptane_density.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 20.8 KB - MD5: 77f2866ae977718e420001ec20bfc38f Density profiles inside and outside the pore of the center of mass of heptane from a simulation of an amorphous pore with pure heptane simulated at 295K in HDF5 format.
pore_amorph_heptane_density_sioh.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 20.8 KB - MD5: be0c383fc16a4469d7bb0d4b8a4db665 Density profiles inside and outside the pore of the oxygen atoms of the surface-silanol groups from a simulation of an amorphous pore with pure heptane simulated at 295K in HDF5 format.
pore_amorph_heptane_diffusion_einstein.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 25.0 KB - MD5: a9f9f171f3bdb4ad22da9afba9893f1a Radial diffusion profile of the center of mass of heptane within the pore determined using the Einstein method from a simulation of an amorphous pore with pure heptane simulated at 295K in HDF5 format.
pore_amorph_heptane_diffusion_smoluchowski.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 878.7 KB - MD5: 232349810937f4092e59e8ecd00684ca Diffusion profile of the center of mass of heptane along the simulation box determined using the Smoluchowski method from a simulation of an amorphous pore with pure heptane simulated at 295K in HDF5 format.
pore_amorph_hexane_density.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 20.8 KB - MD5: b8c389528b7a31d3fe05561946874678 Density profiles inside and outside the pore of the center of mass of hexane from a simulation of an amorphous pore with pure hexane simulated at 295K in HDF5 format.
pore_amorph_hexane_density_sioh.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 20.8 KB - MD5: 82b56c481b869eacd2fae7b37525f44b Density profiles inside and outside the pore of the oxygen atoms of the surface-silanol groups from a simulation of an amorphous pore with pure hexane simulated at 295K in HDF5 format.
pore_amorph_hexane_diffusion_einstein.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 25.0 KB - MD5: ccc820380e60db51ea6dfa9403f2258d Radial diffusion profile of the center of mass of heptane within the pore determined using the Einstein method from a simulation of an amorphous pore with pure hexane simulated at 295K in HDF5 format.
pore_amorph_hexane_diffusion_smoluchowski.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 878.7 KB - MD5: 9b51dbe0360c5e357ea9f0b4c8111ff6 Diffusion profile of the center of mass of heptane along the simulation box determined using the Smoluchowski method from a simulation of an amorphous pore with pure hexane simulated at 295K in HDF5 format.

pore_amorph_cyclopentane_diffusion_einstein.h5

Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'

Hierarchical Data Format - 25.0 KB -

Radial diffusion profile of the center of mass of cyclopentane within the pore determined using the Einstein method from a simulation of an amorphous pore with pure cyclopentane simulated at 295K in HDF5 format.

pore_amorph_cyclopentane_diffusion_smoluchowski.h5

Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'

Hierarchical Data Format - 878.7 KB -

Diffusion profile of the center of mass of cyclopentane along the simulation box determined using the Smoluchowski method from a simulation of an amorphous pore with pure cyclopentane simulated at 295K in HDF5 format.

pore_amorph_heptane_density.h5

Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'

Hierarchical Data Format - 20.8 KB -

Density profiles inside and outside the pore of the center of mass of heptane from a simulation of an amorphous pore with pure heptane simulated at 295K in HDF5 format.

pore_amorph_heptane_density_sioh.h5

Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'

Hierarchical Data Format - 20.8 KB -

Density profiles inside and outside the pore of the oxygen atoms of the surface-silanol groups from a simulation of an amorphous pore with pure heptane simulated at 295K in HDF5 format.

pore_amorph_heptane_diffusion_einstein.h5

Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'

Hierarchical Data Format - 25.0 KB -

Radial diffusion profile of the center of mass of heptane within the pore determined using the Einstein method from a simulation of an amorphous pore with pure heptane simulated at 295K in HDF5 format.

pore_amorph_heptane_diffusion_smoluchowski.h5

Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'

Hierarchical Data Format - 878.7 KB -

Diffusion profile of the center of mass of heptane along the simulation box determined using the Smoluchowski method from a simulation of an amorphous pore with pure heptane simulated at 295K in HDF5 format.

pore_amorph_hexane_density.h5

Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'

Hierarchical Data Format - 20.8 KB -

Density profiles inside and outside the pore of the center of mass of hexane from a simulation of an amorphous pore with pure hexane simulated at 295K in HDF5 format.

pore_amorph_hexane_density_sioh.h5

Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'

Hierarchical Data Format - 20.8 KB -

Density profiles inside and outside the pore of the oxygen atoms of the surface-silanol groups from a simulation of an amorphous pore with pure hexane simulated at 295K in HDF5 format.

pore_amorph_hexane_diffusion_einstein.h5

Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'

Hierarchical Data Format - 25.0 KB -

Radial diffusion profile of the center of mass of heptane within the pore determined using the Einstein method from a simulation of an amorphous pore with pure hexane simulated at 295K in HDF5 format.

pore_amorph_hexane_diffusion_smoluchowski.h5

Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models'

Hierarchical Data Format - 878.7 KB -

Diffusion profile of the center of mass of heptane along the simulation box determined using the Smoluchowski method from a simulation of an amorphous pore with pure hexane simulated at 295K in HDF5 format.

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