Search results for "Kinetic"
showing 10 items of 3064 documents
High accuracy [sup 18]O(p,α)[sup 15]N reaction rate in the 8⋅10[sup 6]–5⋅10[sup 9] K temperature range
2011
The 18O(p,α)15N reaction is of great importance in several astrophysical scenarios, as it influences the production of key isotopes such as 19F, 18O and 15N. In this work, a high accuracy 18O(p,α)15N reaction rate is proposed, based on the simultaneous fit of direct measurements and of the results of a new Trojan Horse experiment. In particular, we have focused on the study of the broad 660 keV 1/2+ resonance. Since Γ∼100–300 keV, it strongly influences the nearly‐zero‐energy region of the cross section by means of the low‐energy tail of the resonant contribution and dominates the cross section at higher energies. Here we provide a factor of 2 larger reaction rate above T∼0.5 109 K based ov…
Vergleichende reaktionskinetische Untersuchungen mit standardisiertem menschlichen Renin an vier angereicherten tierischen Reninsubstraten
1970
Zur Charakterisierung der Angiotensinbildung aus vier angereicherten tierischen Reninsubstraten (Rind, Schwein, Hund und Ratte) mit menschlichem Renin wurde das Temperatur- und pH-Verhalten untersucht, sowie die Michaelis-Menten-Konstanten und maximalen Reaktionsgeschwindigkeiten bestimmt.
Die thermische polymerisation von methylmethacrylat, 2. Bildung des ungesättigten dimeren
1980
The spontaneous thermal polymerization of methyl methacrylate (MMA) is accompanied by the production of serveral oligomers among which a linear unsaturated dimer H-1 (dimethyl 1-hexene-2,5-dicarboxylate) is predominant. The reaction kinetics of this dimer formation was investigated in bulk and in solution. The temperature dependence of the second order dimerization constant was determined as Reaction mechanisms for the thermal dimer formation of MMA are discussed.
Data Treatment in Kinetics
2000
Chemical kinetics is an important part of chemistry devoted to study how reactions proceed and quantify the rate of the process. The reaction mechanism is the chemical model that describes how the chemical change occurs. From the proposed mechanism, a mathematical model can be obtained to explain the evolution of the chemical species with time. In many cases, the mechanism can be simplified to a single rate law that relates the reaction rate with concentrations. In the last decades, the study of kinetic systems has benefited from the development of instrumentation, the increasing availability of specialized computer software, and the advances in data treatment techniques. A comprehensive re…
Study of solid state kinetics using voltammetry of immobilized particles. Application to tetragonal to monoclinic transition in nanoparticulate zirco…
2012
Abstract The voltammetry of immobilized particles methodology is applied to study solid state reaction kinetics on the basis of the electrocatalytic ability of solids toward selected electrochemical processes. Measurement of the time variation of catalytic current for oxygen evolution reaction in aqueous alkaline media provides a direct estimate of fractional conversion of the reactant in the course of the reaction for testing different reaction kinetic models. This methodology is applied to analyze the formation of monoclinic zirconia and praseodymia-doped zirconia from tetragonal precursors. Discrimination between competing and successive reactions mechanisms is obtained for reactions inv…
The influence of water and of alkali promotor on the carbon number distribution of fischer-tropsch products formed over iron catalysts
1987
The carbon number distribution of Fischer-Tropsch products formed over an alkalized precipitated iron catalyst has been studied as a function of the water vapor pressure of the synthesis gas. The carbon number distribution of formed hydrocarbons is characterized by a bimodal Schulz-Flory distribution of growth probabilities P1 ≈ 0.6 and P2 ≈ 0.87 attributed to unpromoted and promoted (alkalized) sites on the catalyst surface. Promoted sites are more stable with respect to oxidation (deactivation) by water than unpromoted sites. The growth probability of unpromoted sites decreases with increasing ratio P/P — Studies using Mossbauer spectroscopy have shown that iron foils treated with water c…
Understanding retention and metabolization of aroma compounds using an in vitro model of oral mucosa.
2020
International audience; The mechanism leading to aroma persistence during eating is not fully described. This study aims at better understanding the role of the oral mucosa in this phenomenon. Release of 14 volatile compounds from different chemical classes was studied after exposure to in vitro models of oral mucosa, at equilibrium by Gas-Chromatography-Flame Ionization Detection (GC-FID) and in dynamic conditions by Proton Transfer Reaction- Mass Spectrometry (PTR-MS). Measurements at equilibrium showed that mucosal hydration reduced the release of only two compounds, pentan-2-one and linalool (p < 0.05), and suggested that cells could metabolize aroma compounds from different chemical fa…
The kinetic MC modelling of reversible pattern formation in initial stages of thin metallic film growth on crystalline substrates
2003
Abstract The results of kinetic MC simulations of the reversible pattern formation during the adsorption of mobile metal atoms on crystalline substrates are discussed. Pattern formation, simulated for submonolayer metal coverage, is characterized in terms of the joint correlation functions for a spatial distribution of adsorbed atoms. A wide range of situations, from the almost irreversible to strongly reversible regimes, is simulated. We demonstrate that the patterns obtained are defined by a key dimensionless parameter: the ratio of the mutual attraction energy between atoms to the substrate temperature. Our ab initio calculations for the nearest Ag–Ag adsorbate atom interaction on an MgO…
Insights on the origin of catalysis on glycine N-methyltransferase from computational modeling.
2018
The origin of enzyme catalysis remains a question of debate despite much intense study. We report a QM/MM theoretical study of the SN2 methyl transfer reaction catalyzed by a glycine N-methyltransferase (GNMT) and three mutants to test whether recent experimental observations of rate-constant reductions and variations in inverse secondary α-3H kinetic isotope effects (KIEs) should be attributed to changes in the methyl donor−acceptor distance (DAD): is catalysis due to a compression effect? Semiempirical (AM1) and DFT (M06-2X) methods were used to describe the QM subset of atoms, while OPLS-AA and TIP3P classical force fields were used for the protein and water molecules, respectively. The …
In vitro prediction of in vivo absorption of ibuprofen from suspensions through rational choice of dissolution conditions
2020
Two ibuprofen suspension formulations were investigated for their dissolution in various bicarbonate, phosphate and acetate buffers. Phosphate and acetate gave faster release than bicarbonate at comparable molarities. Nevertheless, mass transport modelling using the reversible non-equilibrium (RNE) approach enabled the calculation of phosphate molarities that gave good matches to physiological bicarbonate in terms of ibuprofen dissolution. This shows that developing surrogate buffers for bicarbonate that are devoid of the technical difficulties associated with the bicarbonate-CO2 systems is possible. In addition, the intestinal dissolution kinetics of the tested suspensions were determined …