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Radiation Induced Reactions of Succinic Acid in Aqueous Solution: An Agent-Based Model

机译:琥珀酸在水溶液中的辐射诱导反应:基于Agent的模型

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An approach to studying the formation of critical bio-organic compounds in the early Earth is to simulate in the laboratory possible processes that may occur in primitive scenarios. In this context, it can be studied the evolution of succinic acid in an aqueous media exposed to gamma radiation, as starting material produced more complex prebiotic molecules. To describe the products generated by the interaction of the different elements under radiation, there is a mathematical model that considers chemical reactions as nonlinear ordinary differential equations based on the mass balance of all the species, that has been implemented here by an agent-based model. In this simulation, each chemical species involved is considered as an agent that can interact with other species with known reaction rates, and the radiation is taken as a factor that promotes product formation. The results from the agentbased model are compared with the molar concentrations of succinic acid, and its products obtained in the lab. Simulation shows the exponential decomposition of succinic acid due to gamma radiation at room temperature in agreement with the laboratory model.
机译:研究地球早期关键生物有机化合物形成的一种方法是在实验室中模拟原始场景中可能发生的可能过程。在这种情况下,可以研究琥珀酸在暴露于伽马射线的水性介质中的演化,因为起始原料可产生更复杂的益生元分子。为了描述辐射下不同元素相互作用产生的产物,有一个数学模型将化学反应视为基于所有物种的质量平衡的非线性常微分方程,在此已通过基于代理的模型实现。在此模拟中,涉及的每种化学物质均被视为可以与已知反应速率的其他物质发生相互作用的试剂,而辐射被视为促进产物形成的因素。将基于代理的模型的结果与琥珀酸及其在实验室中获得的产物的摩尔浓度进行比较。仿真表明,室温下,由于伽马射线引起的琥珀酸的指数分解符合实验室模型。

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