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111 to 120 of 587 Results

pore_ideal_cyclopentane.top Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 1.3 KB - MD5: 2bcaa69acfa0af16b4c305e8d3c60ed6 Main topology file of a simulation of an ideal pore with pure cyclopentane simulated at 295K in .top format.
pore_ideal_ethanol_density.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 20.8 KB - MD5: 6fe19fbaaf05cd773500d759738496a0 Density profiles inside and outside the pore of the center of mass of ethanol from a simulation of an ideal pore with pure ethanol simulated at 295K in HDF5 format.
pore_ideal_ethanol_density_sioh.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 20.0 KB - MD5: 78631dd57d8d4697295184156b5cb6e5 Density profiles inside and outside the pore of the oxygen atoms of the surface-silanol groups from a simulation of an ideal pore with pure ethanol simulated at 295K in HDF5 format.
pore_ideal_ethanol_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: 38dfeba8cdac693ce656f22377e6070a Radial diffusion profile of the center of mass of ethanol within the pore determined using the Einstein method from a simulation of an ideal pore with pure ethanol simulated at 295K in HDF5 format.
pore_ideal_ethanol_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: 9ca1c2b969514d96222a9e4e70905e47 Diffusion profile of the center of mass of ethanol along the simulation box determined using the Smoluchowski method from a simulation of an ideal pore with pure ethanol simulated at 295K in HDF5 format.
pore_ideal_ethanol.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 8.8 MB - MD5: 0f227b232ccbb1626d598799548613d9 Cartesian coordinates of a simulation of an ideal pore with pure ethanol simulated at 295K in .gro format.
pore_ideal_ethanol.ndx Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 2.5 MB - MD5: 49e2115f2236195e8271fe6a1579316a Index file of a simulation of an ideal pore with pure ethanol simulated at 295K in .ndx format.
pore_ideal_ethanol.top Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 1.3 KB - MD5: 6b1e912a40e338f5be742dbc6684d6c6 Main topology file of a simulation of an ideal pore with pure ethanol simulated at 295K in .top format.
pore_ideal_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: af69006ddba2c3a92034fe9b62e0bef9 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_ideal_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: f789fd7afcaee4063b36cf5ebad53c26 Density profiles inside and outside the pore of the oxygen atoms of the surface-silanol groups from a simulation of an ideal pore with pure heptane simulated at 295K in HDF5 format.

pore_ideal_cyclopentane.top

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

Unknown - 1.3 KB -

Main topology file of a simulation of an ideal pore with pure cyclopentane simulated at 295K in .top format.

pore_ideal_ethanol_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 ethanol from a simulation of an ideal pore with pure ethanol simulated at 295K in HDF5 format.

pore_ideal_ethanol_density_sioh.h5

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

Hierarchical Data Format - 20.0 KB -

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

pore_ideal_ethanol_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 ethanol within the pore determined using the Einstein method from a simulation of an ideal pore with pure ethanol simulated at 295K in HDF5 format.

pore_ideal_ethanol_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 ethanol along the simulation box determined using the Smoluchowski method from a simulation of an ideal pore with pure ethanol simulated at 295K in HDF5 format.

pore_ideal_ethanol.gro

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

Unknown - 8.8 MB -

Cartesian coordinates of a simulation of an ideal pore with pure ethanol simulated at 295K in .gro format.

pore_ideal_ethanol.ndx

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

Unknown - 2.5 MB -

Index file of a simulation of an ideal pore with pure ethanol simulated at 295K in .ndx format.

pore_ideal_ethanol.top

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

Unknown - 1.3 KB -

Main topology file of a simulation of an ideal pore with pure ethanol simulated at 295K in .top format.

pore_ideal_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_ideal_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 ideal pore with pure heptane simulated at 295K in HDF5 format.

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