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

A. L. Rivera, Sergio Ramos-Beltran, A. Negrón-Mendoza
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Abstract

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.
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琥珀酸在水溶液中的辐射诱导反应:基于试剂的模型
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在原始情景中可能发生的过程。在这种情况下,可以研究琥珀酸在暴露于伽马辐射的水介质中的演化,作为起始材料产生更复杂的益生元分子。为了描述不同元素在辐射作用下相互作用产生的产物,有一个数学模型,该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,该模型在这里由基于代理的模型实现。在此模拟中,所涉及的每种化学物质都被认为是一种可以与已知反应速率的其他物质相互作用的物质,辐射被认为是促进产物形成的因素。将该模型的计算结果与琥珀酸的摩尔浓度及其在实验室中得到的产物进行了比较。模拟结果表明,琥珀酸在室温下受伽马辐射的指数分解与实验室模型一致。
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