The thermochemical properties ΔH(o)(n), ΔS(o)(n), and ΔG(o)(n) for the hydration of sodiated and potassiated monosaccharides (Ara = arabinose, Xyl = xylose, Rib = ribose, Glc = glucose, and Gal = galactose) have been experimentally studied in the gas phase at 10 mbar by equilibria measurements using an electrospray high-pressure mass spectrometer equipped with a pulsed ion beam reaction chamber...

Catastrophic initiation of an energetic material consists of a complex, interactive, sequential train of mechanistic mechanical, physical, and chemical processes which occur over a finite time period and proceed from macroscopic into sub-microscopic composition levels (bulk > crystalline > molecular > atomic). Initiation results when these processes proceed at a rate which generates sufficient ...

The solid state thermochemical decomposition kinetics and activation energy of neat 1,3,5,5-tetranitrohexahydropyrimidine (DNNC) and its DNNC-d6 deuterium labeled analogue were obtained by isothermal differential scanning calorimetry (IDSC) at 142, 145, and 148 ◦C. Global rate constants and kinetic deuterium isotope effect (KDIE) data from the exothermic decomposition process suggest that homol...

Catastrophic initiation of an energetic material consists of a complex, interactive, sequential train of mechanistic mechanical, physical, and chemical processes which occur over a finite time period and proceed from macroscopic into sub-microscopic composition levels (bulk > crystalline > molecular > atomic). Initiation results when these processes proceed at a rate which generates sufficient ...

Chloramines, bromamines, and bromochloramines are halogen-containing oxidants that arise from the reaction of hypohalous acids with ammonia in water. Although relevant to both water disinfection chemistry and biochemistry, these molecules are difficult to study in the laboratory, and their thermochemical properties remain poorly established. We developed a benchmark level ab initio calculation ...

Organophosphorous compounds are involved in many toxic compounds such as fungicides, pesticides, or chemical warfare nerve agents. The understanding of the decomposition chemistry of these compounds in the environment is largely limited by the scarcity of thermochemical data. Because of the high toxicity of many of these molecules, experimental determination of their thermochemical properties i...

Solar-driven thermochemical water splitting using non-stoichiometric oxides has emerged as an attractive technology for solar fuel production. The most widely considered oxide for this purpose is ceria, but the extreme temperatures required to achieve suitable levels of reduction introduce challenges in reactor design and operation, leading to efficiency penalties. Here, we provide a quantitati...

Functionalised carbon nanomaterials (CNMs), with an undamaged carbon framework and controlled physiochemical properties, are desirable for a wide range of scientific studies and commercial applications. The use of a thermochemical grafting approach provides a versatile means to functionalise both multi-walled carbon nanotubes (MWCNTs) and carbon black (CB) nanoparticles without altering their i...

The product and process parameters that determine successful freeze-drying are described and their interrelationships are explored. It is shown that the thermochemical and thermomechanical properties of water-soluble, amorphous materials form the basis of effective formulation design and that coordinated approaches to formulation and process development achieve optimum results with a minimum of...