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Check out this publication entitled "DFT simulation of HCI leaching over cellulase-mimetic solid acid catalyst for possible application in biohydrogen production" published on the International Journal of Hydrogen Energy under ScienceDirect. The article was written by Engr. Altair B. Agmata, Engr. Kathleen Izza Marie B. Nopre, Engr. Vivien C. Sarmiento, and Dr. Rizalinda L. De Leon and was made available online on October 5, 2020. The article is accessible within UP COE’s network and via remote access on https://www.sciencedirect.com/science

Abstract: Cellulase-mimetic solid acid catalysts (CMSAC), having both cellulose-binding and catalytic sites, are known to have much lower activation energy and higher catalytic activity than traditional solid acid catalysts. It is an emerging greener and cost-friendly solution for producing biofuel, such as bio-hydrogen, from lignocellulose. However, in 2018 the widely used CMSAC, sulfonated chloromethyl polystyrene, was found to have its catalytic activity attributed to the in-situ release of HCl during catalytic hydrolysis, which is unexpected. An ab initio quantum calculation based on density functional theory (DFT) is performed to study its reaction mechanism. Results have shown that the most probable mechanism responsible for the in-siturelease of HCl is through SN1 nucleophilic substitution. The simulation also predicted a surface reaction activation energy of 1.56 eV (35.97 kcal/mol), along the predicted minimum energy path (MEP). This is the first ab initio study to theoretically predict the HCl leaching mechanism from CMSAC before its industrial application.

In celebration of UP Mental Health Month, today's Featured e-Book will help you understand the expression of feelings within social media spaces, while subsequent sections adopt a paradigm of active audience consumption to use social media to express feelings and maintain social connectivity. Let us support each others' mental health specially during this time of pandemic.

The "Emotions, Technology and Social Media" is part of EnggLib's ScienceDirect Collection. It can be accessed via Remote Access Portal and UP DilNet.

Here is the link:

02 October
Sensing the research and study needs of non-COE faculty and students, EnggLib has made Euromonitor accessible to the whole UPD community as well. Euromonitor can now be accessed via the University Library’s remote access portal at ezproxy.engglib.upd.edu.ph

UPCOE faculty and students can still access it via our own portal at ezproxy.engglib.upd.edu.ph

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