Diagenetic Nucleation, Ripening and Ostwald Stepping

开发了用于解决成岩系统中成核、晶体生长和奥斯特瓦尔德步进的模型和数值模拟工具，并用于了解它们在埋藏期间沉积物状态演化中的作用。通过模拟参与矿物化学和多晶的颗粒（晶）尺寸分布的耦合动力学来模拟成核现象。通过速率和平衡常数的依赖，允许每个相的尺寸分布以考虑颗粒大小和形状的速率演变。介绍了一种新的数值模拟技术，可以模拟从单体和二聚体tommacroparticles （10-23-mer）的颗粒生长。该算法用于模拟一层沉积物中粒径分布的空间变化。将该理论应用于伊利石多晶型体系（板状或纤维状）或多晶型体系。[注：在上面的“10-23-mer”中，-23是指数

Ortoleva--9903132Models and numerical simulation tools to address nucleation, crystal growth and Ostwald stepping in diagenetic systems are developed and used to gain an understanding of their role in the evolution of the state of sediments during burial. Nucleation phenomena are modeled by simulating the coupled dynamics of the particle (crystallite) size distributions for the participating mineral chemistries and polymorphs. The size distribution of each phase is allowed to evolve with rates that account for particle size and shape through the dependence of the rate and equilibrium constants. A new numerical technique is introduced that allows for the simulation of particle growth from monomer and dimer tomacroparticles ( 10-23-mer). The algorithm is used to simulate the spatial variations of the particle size distributions across a layer of sediment. Application of the theory is made to systems with polymorphs of illite (platy or fibrous) or the many-polymorph system.[NOTE: in "10-23-mer" above, the -23 is an exponent