Reaction efficiency effects on binary chemical reactions.
نویسندگان
چکیده
We study the effect of the variation of reaction efficiency in binary reactions. We use the well-known A + B → 0 model, which has been extensively studied in the past. We perform simulations on this model where we vary the efficiency of reaction, i.e., when two particles meet they do not instantly react, as has been assumed in previous studies, but they react with a probability γ, where γ is in the range 0 < γ < 1. Our results show that at small γ values the system is reaction limited, but as γ increases it crosses over to a diffusion limited behavior. At early times, for small γ values, the particle density falls slower than for larger γ values. This fall-off goes over a crossover point, around the value of γ = 0.50 for high initial densities. Under a variety of conditions simulated, we find that the crossover point was dependent on the initial concentration but not on the lattice size. For intermediate and long times simulations, all γ values (in the depleted reciprocal density versus time plot) converge to the same behavior. These theoretical results are useful in models of epidemic reactions and epidemic spreading, where a contagion from one neighbor to the next is not always successful but proceeds with a certain probability, an analogous effect with the reaction probability examined in the current work.
منابع مشابه
Hydrolysis of semi mustard (S.M) by MnCo2O4 (MnO-Co2O3) nanocomposite as a binary oxide catalyst: kinetics reactions study
MnCo2O4 (MnO-Co2O3) nanocomposite as a binary oxide has been successfully prepared by precipitation method using cobalt nitrate and manganese nitrate as the precursors and then characterized by scanning electron microscopy-energy dispersive micro-analysis (SEM-EDX) and X-ray diffraction (XRD) techniques. In this work, we report the hydrolysis kinetics reactions of semi mustard (chloroethyl ethy...
متن کاملHydrolysis of semi mustard (S.M) by MnCo2O4 (MnO-Co2O3) nanocomposite as a binary oxide catalyst: kinetics reactions study
MnCo2O4 (MnO-Co2O3) nanocomposite as a binary oxide has been successfully prepared by precipitation method using cobalt nitrate and manganese nitrate as the precursors and then characterized by scanning electron microscopy-energy dispersive micro-analysis (SEM-EDX) and X-ray diffraction (XRD) techniques. In this work, we report the hydrolysis kinetics reactions of semi mustard (chloroethyl ethy...
متن کاملTutorial Review: Simulation of Oscillating Chemical Reactions Using Microsoft Excel Macros
Oscillating reactions are one of the most interesting topics in chemistry and analytical chemistry. Fluctuations in concentrations of one the reacting species (usually a reaction intermediate) create an oscillating chemical reaction. In oscillating systems, the reaction is far from thermodynamic equilibrium. In these systems, at least one autocatalytic step is required. Developing an instinctiv...
متن کاملModeling and Simulation of Claus Unit Reaction Furnace
Reaction furnace is the most important part of the Claus sulfur recovery unit and its performance has a significant impact on the process efficiency. Too many reactions happen in the furnace and their kinetics and mechanisms are not completely understood; therefore, modeling reaction furnace is difficult and several works have been carried out on in this regard so far. Equilibrium models are co...
متن کاملSoybean Oil Transesterification Reactions in the Presence of Mussel Shell: Pseudo-First Order Kinetics
Calcium oxide is one of the appropriate catalysts for biodiesel production. In this study, cheap and compatible with environment catalyst has been used. Mussel shell of Persian Gulf coast is one of the sources of calcium carbonate that is converted to calcium oxide at calcination temperature up to 950°C. Transesterification reaction was carried out at optimum condition of our previous study...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید
ثبت ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- The Journal of chemical physics
دوره 141 10 شماره
صفحات -
تاریخ انتشار 2014