Institute of Thermodynamics and Thermal Process Engineering

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31 to 40 of 1,002 Results

box_rectangular_tetrahydrofuran_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: b7820312a3ccf83862477ffb2483e8c0 Diffusion profile of the center of mass of tetrahydrofuran along the simulation box determined using the Smoluchowski method from a simulation of a rectangular box with pure tetrahydrofuran simulated at 295K in HDF5 format.
box_rectangular_toluene_density.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 16.9 KB - MD5: d490f580cac64bb8edd40810cd25a030 Center of mass density profiles of toluene from a simulation of an rectangular box with pure toluene simulated at 295K in HDF5 format.
box_rectangular_toluene_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: d395bb2b2158cb46691d9f92ffd193b5 Diffusion profile of the center of mass of toluene along the simulation box determined using the Smoluchowski method from a simulation of a rectangular box with pure toluene simulated at 295K in HDF5 format.
box_rectangular_water_density.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 16.9 KB - MD5: cec69a73ada028b27005860427e72029 Center of mass density profiles of water from a simulation of an rectangular box with pure water simulated at 295K in HDF5 format.
box_rectangular_water_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: fad6f6f192843f67860c512c09338d29 Diffusion profile of the center of mass of water along the simulation box determined using the Smoluchowski method from a simulation of a rectangular box with pure water simulated at 295K in HDF5 format.
cyclohexane.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 875 B - MD5: b92cf01cfcb175012827387afd5c2db9 Cartesian coordinates of a single cyclohexane molecule in .gro format.
cyclohexane.top Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 12.2 KB - MD5: a84d2b44fd772ddc23854f779ed3a676 Topology file of a cyclohexane molecule in .top format.
cyclopentane.gro Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 740 B - MD5: a28696834a5c83d57c595d012e0197ca Cartesian coordinates of a single cyclopentane molecule in .gro format.
cyclopentane.top Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Unknown - 10.3 KB - MD5: 5ece990a46f20b6a1c73d8b30dcb0734 Topology file of a cyclopentane molecule in .top format.
environment_thermoml.yml Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' application/x-yaml - 101 B - MD5: 0bf13126a4f177cc7d20ed9467ef5924 conda environment yaml file to install openff evaluator to read thermoML xml files. Use the command: conda env create -f environment.yml

box_rectangular_tetrahydrofuran_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 tetrahydrofuran along the simulation box determined using the Smoluchowski method from a simulation of a rectangular box with pure tetrahydrofuran simulated at 295K in HDF5 format.

box_rectangular_toluene_density.h5

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

Hierarchical Data Format - 16.9 KB -

Center of mass density profiles of toluene from a simulation of an rectangular box with pure toluene simulated at 295K in HDF5 format.

box_rectangular_toluene_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 toluene along the simulation box determined using the Smoluchowski method from a simulation of a rectangular box with pure toluene simulated at 295K in HDF5 format.

box_rectangular_water_density.h5

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

Hierarchical Data Format - 16.9 KB -

Center of mass density profiles of water from a simulation of an rectangular box with pure water simulated at 295K in HDF5 format.

box_rectangular_water_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 water along the simulation box determined using the Smoluchowski method from a simulation of a rectangular box with pure water simulated at 295K in HDF5 format.

cyclohexane.gro

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

Unknown - 875 B -

Cartesian coordinates of a single cyclohexane molecule in .gro format.

cyclohexane.top

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

Unknown - 12.2 KB -

Topology file of a cyclohexane molecule in .top format.

cyclopentane.gro

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

Unknown - 740 B -

Cartesian coordinates of a single cyclopentane molecule in .gro format.

cyclopentane.top

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

Unknown - 10.3 KB -

Topology file of a cyclopentane molecule in .top format.

environment_thermoml.yml

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

application/x-yaml - 101 B -

conda environment yaml file to install openff evaluator to read thermoML xml files. Use the command: conda env create -f environment.yml

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