1 to 10 of 176 Results
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |