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7,571 to 7,580 of 7,609 Results
fig8_TMMC_butane_344K.txt
Mar 29, 2021 - Supplementary material for 'Prediction of Adsorption Isotherms and Selectivities: Comparison between Classical Density Functional Theory Based on the Perturbed-Chain Statistical Associating Fluid Theory Equation of State and Ideal Adsorbed Solution Theory'
Plain Text - 75.6 KB - MD5: 754f5f5aa3add9bba51013efe13d0261
fig8_TMMC_methane_344K.txt
Mar 29, 2021 - Supplementary material for 'Prediction of Adsorption Isotherms and Selectivities: Comparison between Classical Density Functional Theory Based on the Perturbed-Chain Statistical Associating Fluid Theory Equation of State and Ideal Adsorbed Solution Theory'
Plain Text - 75.6 KB - MD5: 7a65b4e3765b47efa78ad8a52624b6ae
fig9_DFT_methane_butane_y04_adsorb.txt
Mar 29, 2021 - Supplementary material for 'Prediction of Adsorption Isotherms and Selectivities: Comparison between Classical Density Functional Theory Based on the Perturbed-Chain Statistical Associating Fluid Theory Equation of State and Ideal Adsorbed Solution Theory'
Plain Text - 158.8 KB - MD5: 4dab5478b823dd0291bf78909a8afb87
fig9_DFT_methane_butane_y04_desorb.txt
Mar 29, 2021 - Supplementary material for 'Prediction of Adsorption Isotherms and Selectivities: Comparison between Classical Density Functional Theory Based on the Perturbed-Chain Statistical Associating Fluid Theory Equation of State and Ideal Adsorbed Solution Theory'
Plain Text - 158.8 KB - MD5: ee42c2c12f5f16a9b0c6beee98a2ec5c
fig9_TMMC_methane_butane_y04.txt
Mar 29, 2021 - Supplementary material for 'Prediction of Adsorption Isotherms and Selectivities: Comparison between Classical Density Functional Theory Based on the Perturbed-Chain Statistical Associating Fluid Theory Equation of State and Ideal Adsorbed Solution Theory'
Plain Text - 31.6 KB - MD5: 907f3589c97118a357f246ec36987b25
c18.gro
Feb 10, 2021 - Supplementary material for 'PoreMS: A software tool for generating silica pore models with user-defined surface functionalisation and pore dimensions'
Unknown - 1.1 KB - MD5: b00f8e6a7ca08d1a7bb878e7638ef2e9
C18 chain structure in gro format placed on the RPLC mesopore model.
catabm.gro
Feb 10, 2021 - Supplementary material for 'PoreMS: A software tool for generating silica pore models with user-defined surface functionalisation and pore dimensions'
Unknown - 3.4 KB - MD5: 57041007e0631df1bfa5f4935a999f4f
Ruthenium catalyst structure in gro format placed on the catalytic mesopore model.
cata.ipynb
Feb 10, 2021 - Supplementary material for 'PoreMS: A software tool for generating silica pore models with user-defined surface functionalisation and pore dimensions'
Jupyter Notebook - 21.5 KB - MD5: ec45e060abb9eb3b078f12c7480b6230
Jupyter Notebook for generating a cylindrical catalytic mesopore model.
fig_1.pdf
fig_1.pdf
Feb 10, 2021 - Supplementary material for 'PoreMS: A software tool for generating silica pore models with user-defined surface functionalisation and pore dimensions'
Adobe PDF - 715.3 KB - MD5: 2b4b32e0ad2e18f372e22ded52a91103
Building block of beta-cristobalite viewed (a) from the xy-plane, (b) from the zy-plane and (c) from the xz-plane. Si and O atoms are coloured yellow and red, respectively.
fig_2.pdf
fig_2.pdf
Feb 10, 2021 - Supplementary material for 'PoreMS: A software tool for generating silica pore models with user-defined surface functionalisation and pore dimensions'
Adobe PDF - 5.6 MB - MD5: 890845cf1575b43ebe24493871f14f29
Cylindrical RPLC mesopore model generated with PoreMS. (a) Side view of the simulation box indicating the length of the central silica block and the solvent reservoirs. (b) and (c) Front and side view, respectively, of the pierced silica block containing the 9nm diameter pore. The chemistry of the exterior surface is based on the (111) face of bet...
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