ITR/AP(DEB) Stochastic Synthesis: Simulating the Environmental Transformations of Natural Organic Matter

ITR/AP(DEB) 随机合成：模拟天然有机物的环境转变

• 批准号: 0112820
• 负责人: Gregory Madey
• 金额: $ 12.81万
• 依托单位: University of Notre Dame
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2001
• 资助国家: 美国
• 起止时间: 2001-09-01 至 2005-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0112820&HistoricalAwards=false
• 关键词: ITR; AP; DEB; Stochastic; Synthesis

The waters and soils of our environment contain naturally-occurring organic matter (NOM), which helps to regulate soil fertility, pollutant toxicity, ecosystem behavior and carbon cycling. These in turn affect agricultural production, public and ecosystem health, and global climate change. However, the processes which produce NOM from plant and animal matter are poorly understood, due to the complex nature of NOM and the multitude of possible reactions in the environment. This project will combine the efforts of ecologists, geochemists and computer scientists in an attempt to model this complex system using a novel stochastic approach. In this approach, millions of individual molecules are simulated and reacted together 'in silico' to provide a computer model of the complex natural processes. The model will be developed and tested via an internet collaboration, and ultimately will be accessible to agricultural, environmental and earth scientists via a simple web browser interface.

我们环境的水和土壤含有自然存在的有机物（NOM），有助于调节土壤生育能力，污染物毒性，生态系统行为和碳循环。 这些反过来影响农业生产，公共和生态系统健康以及全球气候变化。 但是，由于NOM的复杂性质以及环境中可能的许多可能反应，因此从动植物物质中产生NOM的过程知之甚少。 该项目将结合生态学家，地球化学主义者和计算机科学家的努力，以尝试使用一种新颖的随机方法对这个复杂的系统进行建模。 在这种方法中，将数百万个单个分子模拟并“在硅中”一起反应，以提供复杂自然过程的计算机模型。 该模型将通过互联网协作开发和测试，最终将通过简单的Web浏览器界面访问农业，环境和地球科学家。