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Kinetic Modeling of Pt/C Catalyzed Aqueous Phase Glycerol Conversion with In Situ Formed Hydrogen

21.11.2015 | Xin Jin, Prem S. Thapa, Bala Subramaniam, Raghunath V. Chaudhari, AIChE Journal, 2015

Abstract Detailed kinetic modeling of Pt/C catalyzed conversion of glycerol to lactic acid, glycols and alcohols with in‐situ formed hydrogen is reported. Experimental concentration‐time profiles were obtained in a batch slurry reactor at different glycerol concentrations, nitrogen partial ...


Low-Temperature Synthesis of a TiO2/Si Heterojunction

20.11.2015 | Girija Sahasrabudhe; Sara M. Rupich; Janam Jhaveri; Alexander H. Berg; Ken A. Nagamatsu; Gabriel Man; Yves J. Chabal ..., Journal of the American Chemical Society, 2015

The classical SiO2/Si interface, which is the basis of integrated circuit technology, is prepared by thermal oxidation followed by high temperature (>800 °C) annealing. Here we show that an interface synthesized between titanium dioxide (TiO2) and hydrogen-terminated silicon (H:Si) is a highly ...


Competing insertion and external binding motifs in hydrated neurotransmitters: IR spectra of protonated phenylethylamine monohydrate

19.11.2015 | Aude Bouchet, Markus Schütz, Otto Dopfer, ChemPhysChem, 2015

Hydration has a drastic impact on the structure and function of flexible biomolecules such as aromatic ethylamino neurotransmitters. The structure of monohydrated protonated phenylethylamine (H+PEA‐H2O) is investigated by infrared photodissociation (IRPD) spectroscopy of cold cluster ions using ...


Hydrogen Solubility in Hydrocarbon and Oxygenated Organic Compounds

19.11.2015 | Thi-Kim-Hoang Trinh; Jean-Charles de Hemptinne; Rafael Lugo; Nicolas Ferrando; Jean-Philippe Passarello, Journal of Chemical & Engineering Data, 2015

The hydrogen solubility in 42 organic compounds including alcohols, aldehydes, carboxylic acid, esters and ethers, glycols, n-alkanes, and water is investigated. For this purpose, the Henry's constant is collected or computed from different sources. After removing incoherent data, two temperature ...


Stabilization of the Low‐Spin State in a Mononuclear Iron(II) Complex and High‐Temperature Cooperative Spin Crossover Mediated by Hydrogen Bonding

18.11.2015 | Sipeng Zheng, Niels R. M. Reintjens, Maxime A. Siegler, Olivier Roubeau, Elisabeth Bouwman, Andrii Rudavskyi, Remco ..., Chemistry - A European Journal, 2015

Abstract The tetrapyridyl ligand bbpya (bbpya=N,N‐bis(2,2′‐bipyrid‐6‐yl)amine) and its mononuclear coordination compound [Fe(bbpya)(NCS)2] (1) were prepared. According to magnetic susceptibility, differential scanning calorimetry fitted to Sorai’s domain model, and powder X‐ray diffraction ...


Binary Diffusion Coefficients of the Liquid Organic Hydrogen Carrier System Dibenzyltoluene/Perhydrodibenzyltoluene

18.11.2015 | Andreas Heller; Michael H. Rausch; Peter S. Schulz; Peter Wasserscheid; Andreas P. Fröba, Journal of Chemical & Engineering Data, 2015

Liquid organic hydrogen carrier (LOHC) systems constitute a very promising concept for future hydrogen storage and logistics. The concept builds on the conversion of excess renewable energy to hydrogen via electrolysis followed by reversible catalytic hydrogenation/dehydrogenation of a ...


Silicon Oxycarbide Films Produced by Remote Microwave Hydrogen Plasma CVD using a Tetramethyldisiloxane Precursor: Growth Kinetics, Structure, Surface Morphology, and Properties 

17.11.2015 | Aleksander M. Wrobel, Pawel Uznanski, Agnieszka Walkiewicz‐Pietrzykowska, Chemical Vapor Deposition, 2015

Amorphous hydrogenated silicon oxycarbide (a‐SiCO:H) thin films are produced by remote microwave hydrogen plasma CVD using 1,1,3,3‐tetramethyldisiloxane precursor. The effect of substrate temperature (TS) on the chemical structure and some properties of resulting a‐SiCO:H films is reported. The ...


Reversible hydrogen activation by a bulky haloborane based FLP system

17.11.2015 | Marc-André Courtemanche; Étienne Rochette; Marc-André Légaré; Wenhua Bi; Frederic-Georges Fontaine, Dalton Transactions, 2015

The FLP species bis(2-(TMP)phenyl)chloroborane (TMP=2,2,6,6-tetramethylpiperidine)(1) was prepared and crystallized as a monomeric Frustrated Lewis Pair (FLP) displaying no apparent B-N interaction. Species 1 readily reacts with H2 at room temperature to generate reversibly the zwitterionic H2 ...


Green Approach to Stereoselective Synthesis of Benzo[d]chromeno[3,4- h]oxathiazonine Derivatives via MCRs in Water: A Combined Experimental and DFT Study

17.11.2015 | Djahaniani, Hoorieh; Fatemi, Farzaneh; Ektefa, Fatemeh; Mohtat, Bita; Notash, Behrouz, Combinatorial Chemistry, 2015

Abstract: (7S, 14S, 16R)- dialkyl 6-oxo-6,7,13,14-tetrahydro-7,14-methanobenzo[d]chromeno[3,4- h][1,6,3]oxathiazo-nine-14,16-dicarboxylates 4 and (S)-methyl 2-(2-methoxy-2-oxoethyl)-2,3- dihydrobenzo[d]thiazole-2-carboxylates 5 were readily synthesized in a ratio 3:1 and moderated yield by ...


Energies, Vol. 8, Pages 13021-13032: Effects of Alkali and Alkaline Earth Metals on N-Containing Species Release during Rice Straw Pyrolysis

17.11.2015 | Gao, Pan ; Xue, Lu ; Lu, Qiang ; Dong, Changqing, Energies, 2015

To study the effects of inherent and external alkali and alkaline earth metallic species (AAEMs, i.e., K, Ca and Mg) on the behavior of N-containing species release during rice straw (RS) pyrolysis, different pretreatments were applied in numerous experiments. Results indicate that ammonia (NH3) ...


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