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Browsing Centres Science and Engineering by Author "National Science Foundation"

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Browsing Centres Science and Engineering by Author "National Science Foundation"

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  • Moseson, Dana E.; Parker, Andrew S.; Gilpin, Christopher J.; Stewart, Andrew A.; Beaudoin, Stephen P.; Taylor, Lynne S. (American Chemical Society, 2019)
    The dissolution or melting of a crystalline drug into a molten polymeric matrix underpins the fabrication of a number of drug delivery systems. However, little is known about how crystals dissolve in such viscous matrices. ...
  • Chen, Kai-Jie; Yang, Qing‐Yuan; Sen, Susan; Madden, David G.; Kumar, Amrit; Pham, Tony; Forrest, Katherine A.; Hosono, Nobuhiko; Space, Brian; Kitagawa, Susumu; Zaworotko, Michael J. (Wiley VCH, 2018)
    Removal of CO2 from CO gas mixtures is a necessary but challenging step during production of ultra‐pure CO as processed from either steam reforming of hydrocarbons or CO2 reduction. Herein, two hybrid ultramicroporous ...
  • O'Nolan, Daniel; Madden, David G.; Kumar, Amrit; Chen, Kai-Jie; Pham, Tony; Forrest, Katherine A.; Patyk-Kaźmierczak, Ewa; Yang, Qing‐Yuan; Murray, Claire A.; Tang, Chiu C.; Space, Brian; Zaworotko, Michael J. (Royal Society of Chemistry, 2018)
    Phases of a 2‐fold pcu Hybrid Ultramicroporous Material (HUM), SIFSIX‐14‐Cu‐i, exhibiting 99%, 93%, 89%, and 70% partial interpenetration have been obtained. 1:99 C2H2/C2H4 gas separation studies reveal that as the ...
  • Erkol, Şirag; Faqeeh, Ali; Radicchi, Filippo (IOP Publishing, 2018)
    We consider the problem of identifying the most influential nodes for a spreading process on a network when prior knowledge about structure and dynamics of the system is incomplete or erroneous. Specifically, we perform a ...
  • Forrest, Katherine A.; Pham, Tony; Elsaidi, Sameh K.; Mohamed, Mona H.; Thallapally, Praveen K.; Zaworotko, Michael J.; Space, Brian (American Chemical Society, 2019)
    A combined Monte Carlo (MC) simulation and periodic density functional theory (DFT) study of CO2 sorption was performed in SIFSIX-3-M (M = Fe, Co, Ni, Cu, Zn), a family of hybrid ultramicroporous materials (HUMs) that ...
  • Moseson, Dana E.; Mugheirbi, Naila A.; Stewart, Andrew A.; Taylor, Lynne S. (American Chemical Society, 2018)
    Common characterization techniques used to detect crystallinity in amorphous solid dispersions (ASD) typically have detection or quantification limits on the order of 1%. Herein, an amorphous solid dispersion of indomethacin ...
  • Yang, Qing‐Yuan; Lama, Prem; Sen, Susan; Lusi, Matteo; Chen, Kai-Jie; Gao, Wen-Yang; Shivanna, Mohana; Pham, Tony; Hosono, Nobuhiko; Kusaka, Shinpei; Perry, John J.; Ma, Shengqian; Space, Brian; Barbour, Leonard J.; Kitagawa, Susumu; Zaworotko, Michael J. (Wiley and Sons Ltd, 2018)
    Herein, we report that a new flexible coordination network, NiL2 (L=4‐(4‐pyridyl)‐biphenyl‐4‐carboxylic acid), with diamondoid topology switches between non‐porous (closed) and several porous (open) phases at specific CO2 ...
  • Peng, Yun-Lei; Pham, Tony; Li, Pengfei; Wang, Ting; Chen, Yao; Chen, Kai-Jie; Forrest, Katherine A.; Space, Brian; Cheng, Peng; Zaworotko, Michael J.; Zhang, Zhenjie (Wiley and Sons Ltd, 2018)
    Highly selective separation and/or purification of acetylene from various gas mixtures is a relevant and difficult challenge which currently requires costly and energy intensive chemisorption processes. Herein, we ...
  • Garrigues, Alvar R.; Yuan, Li; Wang, Lejia; Mucciolo, Eduardo R.; Thompson, Damien; del Barco, Enrique; Nijhuis, Christian A. (Nature Publishing Group, 2016)
    We present a theoretical analysis aimed at understanding electrical conduction in molecular tunnel junctions. We focus on discussing the validity of coherent versus incoherent theoretical formulations for single-level ...
  • Mukherjee, Soumya; Sikdar, Nivedita; O'Nolan, Daniel; Franz, Douglas M.; Gascón, Victoria; Kumar, Amrit; Scott, Hayley S.; Madden, David G.; Kruger, Paul E.; Space, Brian; Zaworotko, Michael J. (American Association for the Advancement of Science, 2019)
    CO2 accumulation in confined spaces represents an increasing environmental and health problem. Trace CO2 capture remains an unmet challenge because human health risks can occur at 1000 parts per million (ppm), a level ...

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