![]() ![]() PLASMAKIN supports any number of chemical species and reactions, is independent of problem dimensions and can be used both in stationary and time-dependent problems. #Equation maker chemistry software#PLASMAKIN is a software library to handle physical and chemical data used in plasma physics modeling and to compute kinetics data from the reactions taking place in the gas or at the surfaces - particle generation and loss rates, photon emission rates and energy exchange rates. The numerical results, tested over a variety of engine conditions featuring both single- and multiple-pulse injection operation with fuel being injected at 50° BTDC allowed significant computational time savings of the order of 3–4 times, showing the accuracy of the high-dimensional clustering approach in catching the variety of reactive conditions within the combustion chamber. After the integration, the changes in species mass fractions of the clusters are redistributed to the cells accordingly. Here, the cells of the computational grid are clustered at each time step, in order to reduce the computational time needed by the integration of the chemistry ODE system. The procedure has been applied to diesel engine simulations carried out with a custom version the KIVA4 code, provided with detailed chemistry capability. An efficient bounding-box-constrained k-means algorithm has been developed and used for obtaining optimal clustering of the dataset points in the high-dimensional domain box with maximum computational accuracy, and with no need to iterate the algorithm in order to identify the desired number of clusters. temperature and species mass fractions) are normalized over the whole dataset space. The methodology relies on a high-dimensional representation of the chemical state space, where the independent variables (i.e. It cannot only be used to solve chemical equations, but can also be applied to conquer ordinary differential equations (ODEs) with similar P-L structure.Ī novel approach for computationally efficient clustering of chemically reacting environments with similar reactive conditions is presented, and applied to internal combustion engine simulations. MBE is based on the P-L structure of the chemical equations and a deeper view into the nature of Euler Methods. The numerical results and parameter suggestions are shown at the end of the paper. ![]() It is much faster and more precise than the traditional solvers such as LSODE and QSSA. ![]() MBE is a simple, robust and efficient solver. Our algorithm Modified-Backward-Euler (MBE) Method can unconditionally preserve the nonnegativity of the exact solutions. In this paper, we revisit this topic and derive a new algorithm. Then enormous amount of CPU time is consumed to solve the chemical equations. To obtain real nonnegative numerical concentration values, very small step-size has to be adopted. Therefore, in the calculation, the negative numerical concentration values are usually set to zero artificially, which may cause simulation errors. However, these solvers cannot preserve the nonnegativity of the exact solutions. Over the past decades, numerous papers about chemical equation solvers have been published. ![]() The chemical equations is numerically sticky because of its stiffness, nonlinearity, coupling and nonnegativity of the exact solutions. Chemical kinetic equations is an important component of air pollution models. Air pollution models plays a critical role in atmospheric environment research. ![]()
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