Institute of Thermodynamics and Thermal Process Engineering

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File Type: Data

1 to 10 of 176 Results

butanediol.json May 23, 2024 - Replication Data for: Transferable Anisotropic Mie Potential Force Field for Alkanediols JSON - 32.0 KB - MD5: 5a6c04db3334d9f6e1bceb098623f7ea VLE results for butanediol from the post-processing of the MC simulation.
ethanediol.json May 23, 2024 - Replication Data for: Transferable Anisotropic Mie Potential Force Field for Alkanediols JSON - 74.8 KB - MD5: 816b40353d869bb91d25d2c2a0f76006 VLE results for ethanediol from the post-processing of the MC simulation.
pentanediol.json May 23, 2024 - Replication Data for: Transferable Anisotropic Mie Potential Force Field for Alkanediols JSON - 47.6 KB - MD5: f5c50b227c222ba11c208e15944716df VLE results for pentanediol from the post-processing of the MC simulation.
propanediol.json May 23, 2024 - Replication Data for: Transferable Anisotropic Mie Potential Force Field for Alkanediols JSON - 55.1 KB - MD5: c0a69574f2abbd26308171f72c231b95 VLE results for propanediol from the post-processing of the MC simulation.
box_rectangular_1-butanol_density.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 16.9 KB - MD5: 560023d37a71544e4faeef24283c3216 Center of mass density profiles of 1-butanol from a simulation of an rectangular box with pure 1-butanol simulated at 295K in HDF5 format.
box_rectangular_1-butanol_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: 1bad1097e80b2f0d90844371def0337d Diffusion profile of the center of mass of 1-butanol along the simulation box determined using the Smoluchowski method from a simulation of a rectangular box with pure 1-butanol simulated at 295K in HDF5 format.
box_rectangular_1-propanol_density.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 16.9 KB - MD5: d5d9a07a8bf286e3834f69e2033b615a Center of mass density profiles of 1-propanol from a simulation of an rectangular box with pure 1-propanol simulated at 295K in HDF5 format.
box_rectangular_1-propanol_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: f21d5a171b1dd418e72d85b3a89d0278 Diffusion profile of the center of mass of 1-propanol along the simulation box determined using the Smoluchowski method from a simulation of a rectangular box with pure 1-propanol simulated at 295K in HDF5 format.
box_rectangular_benzene_density.h5 Sep 21, 2023 - Supplementary material for 'Axial Diffusion in Liquid-Saturated Cylindrical Silica Pore Models' Hierarchical Data Format - 16.9 KB - MD5: 65b3ae2568532fd046b42d1bf302d192 Center of mass density profiles of benzene from a simulation of an rectangular box with pure benzene simulated at 295K in HDF5 format.
box_rectangular_benzene_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: f5597196df7e714962acfab4e0ef47ce Diffusion profile of the center of mass of benzene along the simulation box determined using the Smoluchowski method from a simulation of a rectangular box with pure benzene simulated at 295K in HDF5 format.

butanediol.json

May 23, 2024 - Replication Data for: Transferable Anisotropic Mie Potential Force Field for Alkanediols

JSON - 32.0 KB -

VLE results for butanediol from the post-processing of the MC simulation.

ethanediol.json

May 23, 2024 - Replication Data for: Transferable Anisotropic Mie Potential Force Field for Alkanediols

JSON - 74.8 KB -

VLE results for ethanediol from the post-processing of the MC simulation.

pentanediol.json

May 23, 2024 - Replication Data for: Transferable Anisotropic Mie Potential Force Field for Alkanediols

JSON - 47.6 KB -

VLE results for pentanediol from the post-processing of the MC simulation.

propanediol.json

May 23, 2024 - Replication Data for: Transferable Anisotropic Mie Potential Force Field for Alkanediols

JSON - 55.1 KB -

VLE results for propanediol from the post-processing of the MC simulation.

box_rectangular_1-butanol_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 1-butanol from a simulation of an rectangular box with pure 1-butanol simulated at 295K in HDF5 format.

box_rectangular_1-butanol_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 1-butanol along the simulation box determined using the Smoluchowski method from a simulation of a rectangular box with pure 1-butanol simulated at 295K in HDF5 format.

box_rectangular_1-propanol_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 1-propanol from a simulation of an rectangular box with pure 1-propanol simulated at 295K in HDF5 format.

box_rectangular_1-propanol_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 1-propanol along the simulation box determined using the Smoluchowski method from a simulation of a rectangular box with pure 1-propanol simulated at 295K in HDF5 format.

box_rectangular_benzene_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 benzene from a simulation of an rectangular box with pure benzene simulated at 295K in HDF5 format.

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

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