Vapor-phase decomposition of dimethyl methylphosphonate (DMMP), a sarin surrogate, in presence of metal oxides
نویسندگان
چکیده
منابع مشابه
Energetics and dynamics of the reactions of O(3P) with dimethyl methylphosphonate and sarin.
Electronic structure and molecular dynamics calculations were performed on the reaction systems O((3)P) + sarin and O((3)P) + dimethyl methylphosphonate (DMMP), a sarin simulant. Transition state geometries, energies, and heats of reaction for the major reaction pathways were determined at several levels of theory, including AM1, B3LYP/6-311+G(d,p), and CBS-QB3. The major reaction pathways for ...
متن کاملComputational Study of the Adsorption of Trichlorophosphate, Dimethyl Methylphosphonate, and Sarin on Amorphous SiO2
Ab initio quantum chemical calculations have been performed to study the adsorption of trichlorophosphate, dimethyl methylphosphonate, and Sarin via hydrogen bonding to Si-OH groups on the amorphous SiO2 (a-SiO2) surface. Two SiO2 models are used: a small Si5O7H8 “cagelike” cluster and a larger Si21O56H28 structure designed to approximate the local environment in a-SiO2. In the latter case, reg...
متن کاملEffect of humidity on the interaction of dimethyl methylphosphonate (DMMP) vapor with SiO2 and Al2O3 surfaces, studied using infrared attenuated total reflection spectroscopy.
Infrared attenuated total reflection spectroscopy has been used to study the interaction of DMMP vapor with SiO(2), Al(2)O(3), and AlO(OH) vs relative humidity (RH) and DMMP partial pressure (P/P(0)). For SiO(2) the growth with increasing RH of ice-like and liquid-like layers is seen in agreement with previous work. H↔D exchange during exposure to H(2)O and D(2)O indicates that the ice-like lay...
متن کاملThe Effect of Humidity on the Interaction of Dimethyl Methylphosphonate (DMMP) Vapor with SiO2 and Al2O3 Surfaces, Studied Using Infrared Attenuated Total Reflection Spectroscopy
S1. Procedure for determining SiO2 thickness using XPS Figures S1 and S2 show typical XPS data for SiO2 films prepared as described in the main text. The Si 2p data (Fig. S2a) show a peak from the substrate, which is partially resolved into a 2p1/2 and 2p3/2 spin-orbit doublet, and a peak from SiO2, which is too broad to resolve. Other features, due to SiOx (x<2) at the interface, are not readi...
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چکیده پلاتین، فلزی نجیب، پایدار و گران قیمت با خاصیت کاتالیزوری زیاد است که کاربرد های صنعتی فراوانی دارد. کمپلکس های پلاتین(ii) به عنوان دارو های ضد سرطان شناخته شدند و در شیمی درمانی بیماران سرطانی کاربرد دارند. خاصیت کاتالیزوری و عملکرد گزینشی پلاتین مستقیماً به اندازه و- شکل ماده ی پلاتینی بستگی دارد. بعضی از نانو ذرات فلزی در سطح مشترک مایع- مایع سنتز شده اند، اما نانو ساختار های پلاتین ب...
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ژورنال
عنوان ژورنال: Defence Technology
سال: 2020
ISSN: 2214-9147
DOI: 10.1016/j.dt.2020.08.010