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The Nanoporous Materials Genome in Action
Published on Feb 14, 20181922 Views
It is now possible to make an enormous spectrum of different nonporous materials simply by changing the building blocks in the synthesis of Metal Organic Frameworks (MOFs) or related materials. This u
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Chapter list
The Materials Genome in Action00:00
Outline00:12
Outline - 100:14
Outline - 200:22
Outline - 300:31
Outline - 400:35
Acknowledgement00:54
The Material Genome01:32
Computation Challenge01:47
Computation Challenge - 102:16
Computation Challenge - 202:23
Computation Challenge - 302:26
Computation Challenge - 402:45
Computation Challenge - 504:17
Computation Challenge - 604:20
3,000,000 materials04:55
Mg MOF-7405:30
Mg MOF-74 - 107:47
In silico generation of MOF-74 analogs07:51
In silico generation of MOF-74 analogs - 108:00
In silico generation of MOF-74 analogs - 208:15
Mg-MOF-74 osalazine08:18
Mg-MOF-74 osalazine - 108:21
Molecular simulations 09:13
Mg-MOF-74 osalazine09:52
In silico generation of MOF-74 analogs: record hydrogen storage11:13
In silico generation of MOF-74 analogs: record hydrogen storage - 111:21
In silico generation of MOF-74 analogs: record hydrogen storage - 211:39
Xe/Kr separations12:58
Separations of Xe/Kr13:05
Comparison with experimental data14:46
Screening15:17
Untitled16:24
Experiments: SBMOF-117:02
Experiments: SBMOF-1 - 117:55
Methane Storage19:11
Methane in cars: energy density19:14
Methane versus gasoline20:44
Nano porous materials?21:16
Can we find a material with the same energy Nano porous materials? density as compressed natural gas?21:49
What is the best material?22:14
What is the best material? - 122:18
What is the best material? - 223:09
What is the best material? - 323:09
What is the best material? - 423:19
What is the best material? - 523:30
What is the best material? - 623:41
What is the best material? - 723:57
Goal: maximize deliverable capacity23:59
Goal: maximize deliverable capacity - 124:41
Goal: maximize deliverable capacity - 224:42
Goal: maximize deliverable capacity - 324:47
Goal: maximize deliverable capacity - 425:58
In silico screening of zeolites25:59
In silico screening of zeolites - 126:22
Can we find a material that meets the DOE target?26:58
Insight from the model27:28
A theory of nothing33:04
Methane storage in all silica zeolites33:10
Methane storage in all silica zeolites - 133:34
Simple Descriptors33:51
Simple Descriptors - 134:51
Simple Descriptors - 234:59
Simple Descriptors - 335:06
Persistent Homology35:45
Persistent Homology - 137:20
Persistent Homology - 238:04
Persistent Homology - 338:11
Big data: too many materials38:21
Criteria38:39
Criteria - 1 39:20
Methane Storage (part 2)39:56
In silico screening of zeolites39:57
Heat of a adsorption of top performing materials40:14
Heat of a adsorption of top performing materials - 140:57
Enthalpy vs. entropy41:10
Similar materials have similar performance41:58
The diversity of nothing42:55
A simple question42:58
A simple question - 143:05
Diversity of MOF Materials Database 43:13
Diversity of Materials Databases43:24
Conclusions44:34
Conclusions - 144:37
Conclusions - 245:09
Conclusions - 348:04
Conclusions - 448:38