نتایج جستجو برای: Kinetic Monte Carlo Simulation

تعداد نتایج: 680618  

Journal: :iranian journal of nuclear medicine 2012
pablo aguiar charalampos tsoumpas albert cot javier pavía domènec ros

introduction: the key characteristics of positron emission tomography (pet) are its quantitative capability and its sensitivity, which allow the in vivo imaging of biochemical interactions with small amounts of tracer concentrations. therefore, accurate quantification is important. however, it can be sensitive to several physical factors. the aim of this investigation is the assessment of the e...

Kinetic Monte Carlo simulation was applied to investigation of kinetics and mechanism of oxalic acid degradation by direct and heterogeneous catalytic ozonation. La-containing perovskites including LaFeO3, LaNiO3, LaCoO3 and LaMnO3 was studied as catalyst for oxalic acid ozonation. The reaction kinetic mechanisms of each abovementioned catalytic systems has been achieved. The rate constants val...

Journal: :physical chemistry research 0
hadis bashiri kashan university nastaran pourbeiram department of physical chemistry, faculty of chemistry, university of kashan

in the present study, the kinetics of biodiesel production through transesterification of brassica carinata oil with methanol in the presence of potassium hydroxide is investigated by kinetic monte carlo simulation. the obtained results from simulation agree qualitatively with the existing experimental data. the kinetics data for each step of suggested mechanism are confirmed by simulation. by ...

Journal: :physical chemistry research 0
hamed moradmand jalali department of physical chemistry, faculty of chemistry, university of kashan, iran

kinetic monte carlo simulation was applied to investigation of kinetics and mechanism of oxalic acid degradation by direct and heterogeneous catalytic ozonation. la-containing perovskites including lafeo3, lanio3, lacoo3 and lamno3 was studied as catalyst for oxalic acid ozonation. the reaction kinetic mechanisms of each abovementioned catalytic systems has been achieved. the rate constants val...

Journal: :Journal of Computational Physics 2008

Journal: :iranian journal of chemistry and chemical engineering (ijcce) 2012
pejman ganjeh-anzabi vahid hadadi-asl mehd salami-kaljahi hossein roghani-mamaqani

in this work, based on experimental observations and exact theoretical predictions, the kinetic scheme of raft polymerization is extended to a wider range of reactions such as irreversible intermediate radical terminations and reversible transfer reactions. the reactions which have been labeled as kinetic scheme are the more probable existing reactions as the theoretical point of view. the deta...

Hossein Roghani-Mamaqani Mehd Salami-Kaljahi Pejman Ganjeh-Anzabi Vahid Hadadi-Asl,

In this work, based on experimental observations and exact theoretical predictions, the kinetic scheme of RAFT polymerization is extended to a wider range of reactions such as irreversible intermediate radical terminations and reversible transfer reactions. The reactions which have been labeled as kinetic scheme are the more probable existing reactions as the theoretical point of view. The ...

Journal: :journal of physical & theoretical chemistry 2009
m. monajjemi a. r. oliaey

the determination of gyration radius is a strong research for configuration of a macromolecule. italso reflects molecular compactness shape. in this work, to characterize the behavior of theprotein, we observe quantities such as the radius of gyration and the average energy. we studiedthe changes of these factors as a function of temperature for acetylcholine receptor protein in gasphase with n...

2009
Peter Kratzer

c © 2009 by John von Neumann Institute for Computing Permission to make digital or hard copies of portions of this work for personal or classroom use is granted provided that the copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. To copy otherwise requires prior specific permission by the publisher ment...

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