| LDR | | 00000nam u2200205 4500 |
| 001 | | 000000433947 |
| 005 | | 20200226134429 |
| 008 | | 200131s2019 ||||||||||||||||| ||eng d |
| 020 | |
▼a 9781088371886 |
| 035 | |
▼a (MiAaPQ)AAI22589086 |
| 040 | |
▼a MiAaPQ
▼c MiAaPQ
▼d 247004 |
| 082 | 0 |
▼a 620 |
| 100 | 1 |
▼a Kaija, Alec Reino. |
| 245 | 10 |
▼a Porous Pseudomaterials for Studying Structure-Property Relationships of Gas Adsorption. |
| 260 | |
▼a [S.l.]:
▼b University of Pittsburgh.,
▼c 2019. |
| 260 | 1 |
▼a Ann Arbor:
▼b ProQuest Dissertations & Theses,
▼c 2019. |
| 300 | |
▼a 143 p. |
| 500 | |
▼a Source: Dissertations Abstracts International, Volume: 81-04, Section: B. |
| 500 | |
▼a Advisor: Wilmer, Christopher E. |
| 502 | 1 |
▼a Thesis (Ph.D.)--University of Pittsburgh, 2019. |
| 506 | |
▼a This item must not be sold to any third party vendors. |
| 520 | |
▼a The discovery in 1995 of metal-organic frameworks (MOFs)-with record-breaking surface areas-sparked exponential growth in research efforts dedicated to the development of new porous adsorbents, particularly for energy related gas storage applications. However, despite their promise, decades of research have yet to yield MOFs that perform well enough for many of these applications, particularly high-pressure vehicular natural gas storage and post-combustion carbon capture. To understand why, I developed a novel computational methodology for generating large (100,000+) libraries of randomly configured Lennard-Jones (LJ) crystals, or "pseudomaterials", with the intention of calculating various adsorption-related properties of interest en masse using grand canonical Monte Carlo (GCMC) simulations. These libraries were used to map an n-dimensional structure-property space, where n refers to the number different structure- and property-parameters.One approach for generating these libraries of pseudomaterials is random sampling, where each structure is generated algorithmically at random |
| 590 | |
▼a School code: 0178. |
| 650 | 4 |
▼a Chemical engineering. |
| 650 | 4 |
▼a Engineering. |
| 690 | |
▼a 0542 |
| 690 | |
▼a 0537 |
| 710 | 20 |
▼a University of Pittsburgh.
▼b Swanson School of Engineering. |
| 773 | 0 |
▼t Dissertations Abstracts International
▼g 81-04B. |
| 773 | |
▼t Dissertation Abstract International |
| 790 | |
▼a 0178 |
| 791 | |
▼a Ph.D. |
| 792 | |
▼a 2019 |
| 793 | |
▼a English |
| 856 | 40 |
▼u http://www.riss.kr/pdu/ddodLink.do?id=T15493137
▼n KERIS
▼z 이 자료의 원문은 한국교육학술정보원에서 제공합니다. |
| 980 | |
▼a 202002
▼f 2020 |
| 990 | |
▼a ***1008102 |
| 991 | |
▼a E-BOOK |