A New Method of Time-Temperature Modeling of Sedimentary Basins

有机质成熟度的时温模拟已成为近年来油气勘探的重要工具。应用这些模型的最大困难是：1)获得准确的井下地质信息；2)动力学参数的估计。单个集体动力学速率通常在实验室中测量。然后必须在更长的地质时间尺度上应用这些方法。及时做出这些推断的有效性总是值得怀疑的。这一建议的创新之处在于发展了一种理论和实验相结合的方法，用于确定大分子分解中多个反应的化学和动力学，以便在地质和实验室时间尺度之间获得更有效的外推。该方法结合了独特的碳氢化合物热解大分子网络模型(FG-DVC)和独特的盆地有机样品分析方法(TG-FTIR)。FG-DVC提供了石油、焦油和天然气生成条件之间的联系，这些条件包括所有物种的Tmax随成熟度的变化以及与CO2、CH4和H2相关的交联。用热重-傅里叶变换红外光谱测定了这些物种的演化动力学速率系数。与伍兹霍尔海洋研究所(WHOI)的Jean Whelan博士合作，我们将研究两个地质盆地，这些盆地已经采用了最先进的技术来获得基地的性质。对样品进行TG/FTIR分析。利用样品和盆地模拟历史建立“FG-DVC成熟度模型”来预测盆地中干酪根的组成。然后，预测的组成将用于FG-DVC热解模型，以在TG-FTIR分析下预测其行为。此外，来自盆地水合热解的样品在WHOI和AFR分析中进行。此外，在WHOI和APF进行的盆地样品的水合热解样品也将通过TG-FTIR进行测试，以确定发生的化学转化的速率和机理。

Time-temperature modeling of organic matter maturation has become an important tool in petroleum an gas exploration in recent years. The most serious difficulties in applying these models are: 1)obtaining accurate downhole geological information, and 2)estimation of kinetic parameters. Single collective kinetic rates are typically measured in the laboratory. These must then be applied on much longer geological time scales. The validity of making these extrapolations in time is always questionable. The innovation offered in this proposal is the development of a combined theoretical and experimental methodology for determining the chemistry and kinetics of the multiple reactions in macromolecular decomposition to obtain a more valid extropolations between geological and laboratory time scales. The methodology combines a unique macromolecular network model of hydrocarbon pyrolysis (FG-DVC) with a unique method of analysis (TG-FTIR) of the organic samples from the basin. FG-DVC provides the link between oil, tar and gas generation terms of the variation with maturation in Tmax of all species and the crosslinking associated with CO2, CH4, and H2. The kinetic rate coefficients for the evolution of all these species can be determined with the TG-FTIR. In collaboration with Dr. Jean Whelan of Woods Hole Oceanographic Institute (WHOI), we will study two geological basins for which state-of- the-art techniques have already been employed to obtain the basing's properties. Samples will be subjected to TG/FTIR analysis. The samples and basin modeling history will be employed to develop a "FG-DVC maturation model" to predict the composition of kerogens in the basin. The predicted compositions will then be used in the FG-DVC pyrolysis model to predict the behavior under the TG-FTIR analysis. In addition, samples from hydrous pyrolysis of basin samples performed at WHOI and at AFR analysis. In addition, samples from hydrous pyrolysis of basin samples performed at WHOI and at APF will also be tested by TG- FTIR to determine the rates and mechanisms of chemical transformation which occur.