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SimKinet: A free educational tool based on an electrical analogy to solve chemical kinetic equations.

ABSTRACT: In this article we introduce the software SimKinet, a free tool specifically designed to solve systems of differential equations without any programming skill. The underlying method is the so-called Network Simulation Method, which designs and solves an electrical network equivalent to the mathematical problem. SimKinet is versatile, fast, presenting a real user-friendly interface, and can be employed for both educational and researching purposes. It is particularly useful in the first courses of different scientific degrees, mainly Chemistry and Physics, especially when facing non-analytic or complex-dynamics problems. Moreover, SimKinet would help students to understand fundamental concepts, being an opportunity to improve instruction in Chemistry, Mathematics, Physics and other Sciences courses, with no need of advanced knowledge in differential equations. The potency of SimKinet is demonstrated via two applications in chemical kinetics: the photochemical destruction of stratospheric ozone and the chaotic dynamics of the peroxidase-oxidase reaction.

SUBMITTER: Caravaca M

PROVIDER: S-EPMC6407758 | biostudies-literature | 2019

REPOSITORIES: biostudies-literature

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SimKinet: A free educational tool based on an electrical analogy to solve chemical kinetic equations.

Caravaca Manuel M Sanchez-Andrada Pilar P Soto-Meca Antonio A

PloS one 20190308 3

In this article we introduce the software SimKinet, a free tool specifically designed to solve systems of differential equations without any programming skill. The underlying method is the so-called Network Simulation Method, which designs and solves an electrical network equivalent to the mathematical problem. SimKinet is versatile, fast, presenting a real user-friendly interface, and can be employed for both educational and researching purposes. It is particularly useful in the first courses o ...[more]

PMID: 30849103

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Project description:Cerebral Arteriovenous Malformation (CAVM) hemodynamic is disease condition, results changes in the flow and pressure level in cerebral blood vessels. Measuring flow and pressure without catheter intervention along the vessel is big challenge due to vessel bifurcations/complex bifurcations in Arteriovenous Malformation patients. The vessel geometry in CAVM patients are complex, composed of varying diameters, lengths, and bifurcations of various angles. The variations in the vessel diameter and bifurcation angle complicate the measurement and analysis of blood flow features invasively or non-invasively.In this paper, we proposed a lumped model for the bifurcation for symmetrical and asymmetrical networks in CAVM patients. The models are created using MATLAB Simulation software for various bifurcation angles. Each bifurcation angle created using electrical network- RLC. The segmentation and pre-processing of bifurcation vessels are implemented using adaptive segmentation. The proposed network address clinicians problem by measuring hemodynamic non-invasively. The method is applicable for any types of bifurcation networks with different bifurcation angles in CAVM patients.In this work, we constructed a mathematical model, measured hemodynamic for 23 patients (actual and simulated cases) with 60 vessel bifurcation angles variations. The results indicate that comparisons evidenced highly significant correlations between values computed by the lumped model and simulated mechanical model for both networks with p < 0.0001. A P value of less than 0.05 considered statistically significant.In this paper, we have modelled different bifurcation types and automatically display pressure and flow non-invasively at different node and at different angles of bifurcation in the complex vessel with help of bifurcation parameters, using lumped parameter model. We have simulated for different bifurcation angles and diameters of vessel for various imaging modality and model extend for different organs. This will help clinicians to measure haemodynamic parameters noninvasively at various bifurcations, where even catheter cannot be reached.

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SimKinet: A free educational tool based on an electrical analogy to solve chemical kinetic equations.

Publications

SimKinet: A free educational tool based on an electrical analogy to solve chemical kinetic equations.

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