Automated Calibration of a Poly(oxymethylene) Dimethyl Ether Oxidation Mechanism Using the Knowledge Graph Technology.

In this paper, we develop a knowledge graph-based framework for the automated calibration of combustion reaction mechanisms and demonstrate its effectiveness on a case study of poly(oxymethylene)dimethyl ether (PODE, where = 3) oxidation. We develop an ontological representation for combustion experiments, OntoChemExp, that allows for the semantic enrichment of experiments within the J-Park simulator (JPS, theworldavatar.com), an existing cross-domain knowledge graph.

Polymorphism of nanocrystalline TiO prepared in a stagnation flame: formation of the TiO-II phase.

A metastable "high-pressure" phase known as α-PbO-type TiO or TiO-II is prepared a single-step synthesis using a laminar premixed stagnation flame. Three other TiO polymorphs, namely anatase, rutile and TiO-B phases, can also be obtained by tuning the oxygen/fuel ratio. TiO-II is observed as a mixture with rutile under oxygen-lean flame conditions.

Minimally invasive identification of degraded polyester-urethane magnetic tape using attenuated total reflection Fourier transform infrared spectroscopy and multivariate statistics.

Audio recordings are a significant component of the world's modern cultural history and are retained for future generations in libraries, archives, and museums. The vast majority of tapes contain polyester-urethane as the magnetic particle binder, the degradation of which threatens the playability and integrity of these often unique recordings. Magnetic tapes with stored historical data are degrading and need to be identified prior to digitization and/or preservation.