نتایج جستجو برای: detailed chemical kinetic
تعداد نتایج: 630356 فیلتر نتایج به سال:
Gold nanoparticles are useful in biomedical applications due to their distinct optical properties and high chemical stability. Reports of the biogenic formation of gold colloids from gold complexes has also led to an increased level of interest in the biomineralization of gold. However, the mechanism responsible for biomolecule-directed gold nanoparticle formation remains unclear due to the lac...
High-level ab initio quantum chemical calculations have been used to investigate possible reactions in the Al-H-Cl system. Transition states or barrierless reaction paths have been identified for essentially all feasible reactions in this system involving a single aluminum atom. Structures, energies, and vibrational frequencies for reactants, products, and transition states in this system are p...
The occurrence of elemental mercury in flue gases from coal combustion is a problem of current environmental concern. Oxidized mercury species can be effectively removed from the flue gases by chemical scrubbers. However, the detailed mechanism by which oxidation occurs remains unclear. Theoretical rate constants are calculated for mercury oxidation by atomic chlorine. The potential energy surf...
Fuel microchannels for regenerative cooling are receiving increasing attention in advanced aviation technologies. Those allow heat integration between the endothermic cracking of jet fuels and their subsequent combustion. In this work, a detailed elementary-step kinetic model is developed to gain insights into chemistry Jet A surrogate (n-dodecane, isooctane, n-propyl benzene, 1,3,5-trimethylbe...
ion The linear alkanes, as most simple components, provide the fundamentals of fuel modeling in the case of more complicated components (alkenes, aromatics, polycyclic aromatic hydrocarbons, etc.). Meanwhile n-alkanes or blending of n-alkanes are by far the best studied class of compounds for which reliable, detailed chemical kinetic models for combustion exist and supposed to be the suitable s...
The PKN (protein kinase N) family of Ser/Thr protein kinases regulates a diverse set of cellular functions, such as cell migration and cytoskeletal organization. Inhibition of tumour PKN activity has been explored as an oncology therapeutic approach, with a PKN3-targeted RNAi (RNA interference)-derived therapeutic agent in Phase I clinical trials. To better understand this important family of k...
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