Zobrazeno 1 - 10
of 17
pro vyhledávání: '"Sudi Jawahery"'
Autor:
Sudi Jawahery, Ville-Valtteri Visuri, Stein O. Wasbø, Andreas Hammervold, Niko Hyttinen, Martin Schlautmann
Publikováno v:
Metals, Vol 11, Iss 10, p 1587 (2021)
A dynamic, first-principles process model for a steelmaking electric arc furnace has been developed. The model is an integrated part of an application designed for optimization during operation of the furnace. Special care has been taken to ensure th
Externí odkaz:
https://doaj.org/article/bb7b4e258b0c4b99bdb9938b30c66f51
Autor:
Sudi Jawahery, Cory M. Simon, Efrem Braun, Matthew Witman, Davide Tiana, Bess Vlaisavljevich, Berend Smit
Publikováno v:
Nature Communications, Vol 8, Iss 1, Pp 1-9 (2017)
IRMOF-74 materials have thus far been thought to undergo only simple crystal lattice expansion upon gas adsorption. Here, Smit and co-workers demonstrate that these MOFs undergo a unique complex deformation upon argon uptake, changing how we view the
Externí odkaz:
https://doaj.org/article/646853ffa3384794b5ce34496737541e
Autor:
Stein O. Wasbø, Ville-Valtteri Visuri, Niko Hyttinen, Sudi Jawahery, Martin Schlautmann, Andreas Hammervold
Publikováno v:
Metals, Vol 11, Iss 1587, p 1587 (2021)
Metals; Volume 11; Issue 10; Pages: 1587
Metals; Volume 11; Issue 10; Pages: 1587
A dynamic, first-principles process model for a steelmaking electric arc furnace has been developed. The model is an integrated part of an application designed for optimization during operation of the furnace. Special care has been taken to ensure th
Autor:
Emad Oveisi, Mohammad Khaja Nazeeruddin, Mehrdad Asgari, Seyed Mohamad Moosavi, Aron J. Huckaba, Shuliang Yang, Sudi Jawahery, Wendy L. Queen, Li Peng, Berend Smit
Publikováno v:
Journal of the American Chemical Society. 141:12397-12405
High internal surface areas, an asset that is highly sought after in material design, has brought metal-organic frameworks (MOFs) to the forefront of materials research. In fact, a major focus in the field is on creating innovative ways to maximize M
Autor:
Megan N. Jackson, Joseph M. Falkowski, Jeffrey R. Long, Kristen A. Colwell, Rodolfo M. Torres-Gavosto, Bess Vlaisavljevich, Sudi Jawahery, Berend Smit, Simon C. Weston
Publikováno v:
Journal of the American Chemical Society. 143(13)
Significant advances have been made in the synthesis of chemically selective environments within metal-organic frameworks, yet materials development and industrial implementation have been hindered by the inability to predictively control crystallite
Autor:
Miguel I. Gonzalez, Phillip J. Milner, Velencia J. Witherspoon, Bernhard Blümich, Alexander C. Forse, Rocío Mercado, Jeffrey A. Reimer, Jeffrey D. Martell, Berend Smit, Rebecca L. Siegelman, Jeffrey R. Long, Sudi Jawahery
Publikováno v:
Journal of the American Chemical Society. 140:1663-1673
Metal-organic frameworks are promising materials for energy-efficient gas separations, but little is known about the diffusion of adsorbates in materials featuring one-dimensional porosity at the nanoscale. An understanding of the interplay between f
Autor:
Mehrdad Asgari, Craig M. Brown, Wendy L. Queen, Sudi Jawahery, Bess Vlaisavljevich, Jeffrey R. Long, Roxana Flacau, Matthew R. Hudson, Eric D. Bloch
Publikováno v:
Chemical science, vol 9, iss 20
We present a comprehensive investigation of the CO2 adsorption properties of an isostructural series of metal-organic frameworks, M-BTT (M = Cr, Mn, Fe, Cu; BTT3- = 1,3,5-benzenetristetrazolate), which exhibit a high density of open metal sites capab
Publikováno v:
Journal of chemical theory and computation. 15(6)
We present force fields developed from periodic density functional theory (DFT) calculations that can be used in classical molecular simulations to model M-MOF-74 (M = Co, Fe, Mg, Mn, Ni, Zn) and its extended linker analogs. Our force fields are base
Autor:
Sudi Jawahery, Stephen J. Valentine, Albert W. Pilkington, Silvina Matysiak, James R. Arndt, Maxmore Chaibva, Justin Legleiter, Olivia Sarver
Publikováno v:
Biophysical Journal. 111:349-362
Huntington's disease (HD) is a genetic neurodegenerative disorder caused by an expanded polyglutamine (polyQ) domain near the N-terminus of the huntingtin (htt) protein. Expanded polyQ leads to htt aggregation. The first 17 amino acids (Nt(17)) in ht
Autor:
Alexander C, Forse, Miguel I, Gonzalez, Rebecca L, Siegelman, Velencia J, Witherspoon, Sudi, Jawahery, Rocio, Mercado, Phillip J, Milner, Jeffrey D, Martell, Berend, Smit, Bernhard, Blümich, Jeffrey R, Long, Jeffrey A, Reimer
Publikováno v:
J Am Chem Soc
Metal–organic frameworks are promising materials for energy-efficient gas separations, but little is known about the diffusion of adsorbates in materials featuring one-dimensional porosity at the nanoscale. An understanding of the interplay between