Zobrazeno 1 - 10
of 13
pro vyhledávání: '"William Taifan"'
Publikováno v:
Catalysis Science & Technology. 11:6682-6694
Kinetic modeling of single-step catalytic conversion of ethanol to 1,3-butadiene is necessary to inform accurate process design. This paper uses first-principles-informed energy span and microkinetic analysis to explore the reaction free energy lands
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5e9b19f099ce117f5adea1cf704a3180
https://doi.org/10.1039/d1cy00419k
https://doi.org/10.1039/d1cy00419k
Autor:
Israel E. Wachs, Monica Calatayud, William Taifan, Jonas Baltrusaitis, Daniyal Kiani, Sagar Sourav, Frederik Tielens
Publikováno v:
ACS Catalysis. 10:4580-4592
The nature of isolated tungsten oxide (WOx) sites in the dispersed phase on the surface of a β-cristobalite (β-SiO2) support in undoped and Na- or Mn-doped WOx/SiO2 model catalysts used for the oxi...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::13285e1dafc2cffc066141084ae241a9
https://doi.org/10.1021/acscatal.9b05591
https://doi.org/10.1021/acscatal.9b05591
Autor:
Dovydas Barauskas, Lihua Zhang, Jonas Baltrusaitis, Daniyal Kiani, Kenneth Honer, William Taifan, Baoying Lu
Publikováno v:
The Journal of Physical Chemistry C. 123:8908-8922
While population growth necessitates a significant increase in crop production, stringent environmental regulations require that it be done using sustainable nutrient sources. Nutrients in the form...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::20e45ff5b0e7ff4de4a29bffe2403422
https://doi.org/10.1021/acs.jpcc.8b12252
https://doi.org/10.1021/acs.jpcc.8b12252
Publikováno v:
Catalysis Science & Technology. 9:4573-4580
A large fraction of the global natural gas reserves is in the form of sour gas, i.e. contains hydrogen sulfide (H2S) and carbon dioxide (CO2), and needs to be sweetened before utilization. The traditional amine-based separation process is energy-inte
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::81945fd82bfb14a3dadfad815c90a2db
https://doi.org/10.1039/c9cy00375d
https://doi.org/10.1039/c9cy00375d
Autor:
Anatoly I. Frenkel, Yuanyuan Li, William Taifan, Jonas Baltrusaitis, Lihua Zhang, John P. Baltrus
Publikováno v:
ACS Catalysis. 9:269-285
The electronic structure and reactivity of Cu- and Zn-promoted wet-kneaded MgO/SiO2 catalysts was interrogated during ethanol reaction to 1,3-BD. A multimodal nature of characterization, including in situ or operando X-ray, electron, light spectrosco
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e23f6c974e3544a45da387ec9d055d64
https://doi.org/10.1021/acscatal.8b03515
https://doi.org/10.1021/acscatal.8b03515
Autor:
Jonas Baltrusaitis, William Taifan
Publikováno v:
The Journal of Physical Chemistry C. 122:20894-20906
Ethanol is an important renewable chemical that allows for sustainable high-value product, such as 1,3-butadiene, catalytic synthesis. The MgO/SiO2 catalyst is typically utilized in a single-step ethanol-to-1,3-butadiene catalytic conversion, and the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d0a9e1b29e734bc939fcb3343c8296d8
https://doi.org/10.1021/acs.jpcc.8b06767
https://doi.org/10.1021/acs.jpcc.8b06767
Publikováno v:
Journal of Catalysis. 346:78-91
In this work, we performed periodic Density Functional Theory calculations and explored reactive pathways of ethanol catalysis to catalytically form 1,3-butadiene on undoped MgO surface. We have identified critical reactive intermediates, as well as
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::31f3e1a3b6dc0bfbef9b47dd47ad5232
https://doi.org/10.1016/j.jcat.2016.11.042
https://doi.org/10.1016/j.jcat.2016.11.042
Autor:
Jonas Baltrusaitis, William Taifan
Publikováno v:
Catalysis Science & Technology. 7:2919-2929
The abundance of natural gas reserves can facilitate the transition from fossil derived to fully renewable chemical and fuel generation. Natural gas, however, can contain more than 10% sour gas molecules (chiefly CO2 and H2S), especially in the Middl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::431b24b55cbd3205ae4e0f83a12c5b4a
https://doi.org/10.1039/c7cy00272f
https://doi.org/10.1039/c7cy00272f
Publikováno v:
Catalysis Science & Technology. 7:3546-3554
Direct processing of sour, e.g. containing large amounts of acidic H2S and/or CO2 molecules, natural gas is of direct interest as vast amounts of it are available and accessible but are underutilized. While sour natural gas is still treated using ene
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::91a35a5d8d67426876c414d8245c8c8a
https://doi.org/10.1039/c7cy00857k
https://doi.org/10.1039/c7cy00857k
Publikováno v:
Catalysis Science & Technology. 7:4648-4668
1,3-Butadiene is an important commodity chemical and new, selective routes of catalytic synthesis using green feedstocks, such as ethanol, is of interest. For this purpose, surface chemistry of MgO/SiO2 catalyst synthesized using wet-kneading was exp
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::58325a651117f560257408bdc7681921
https://doi.org/10.1039/c7cy01556a
https://doi.org/10.1039/c7cy01556a