稳定同位素非平衡分馏理论研究及其地质学应用

The research about stable isotope non-equilibrium fractionation has become a new sub-discipline of geochemistry at home and abroad, however, there has no relevant researches about this research direction up to now. The great majority of physical, chemical and biological processes not reach equilibrium in nature. In most situations, we can’t utilize equilibrium isotope fractionation theory to solve these problems. In fact, the key point of isotope non-equilibrium fractionation is how to measure and calculate the free energy difference between different systems. The investigation about how to obtain the free energy difference of different non-equilibrium processes has been have a very comprehensive study in the fields of physics, chemistry and biology. It is the most active area and scientific research achievements about this realm have been published in the past ten years. However, there have no isotope non-equilibrium fractionation theory and factors in the domain of geology, so it is very important to carry out this research. This application hope to use JE equality (Jarzynski Equality) to obtain the free energy difference between different processes at which kind of rate and path of geology and then acquire the theoretical calculation formula of stable isotope non-equilibrium fractionation. This theory could be applied to calculate the stable isotope non-equilibrium fractionation factors of different non-equilibrium processes of geology, such as growth or dissolution of minerals (rapid dissolution and deposition). It plays an important role in well understanding the isotope effects of growth or dissolution of minerals.

稳定同位素非平衡分馏理论的研究，在国内外地学界都是一个全新的议题，但是有关该方向的研究尚属空白。自然界中的绝大多数物理、化学以及生物分子过程，都没有达到平衡状态，大部分时候我们不能用同位素平衡分馏理论来处理。事实上，研究非平衡理论的主旨，就是计算不同分布状态的自由能差别。非平衡自由能差别在物理、化学上已经有了一定的研究深度和理论基础，是最近十几年来最活跃的领域之一，有关这方面的科研成果与日俱增。然而，地学上的同位素非平衡理论和参数极其匮乏，因此亟待发展。本申请希望通过JE等式（Jarzynski Equality）获得地质学中以任意速率、任意过程进行转变的自由能差别，进而获得计算稳定同位素非平衡分馏的理论计算公式。该理论可以获得任意非平衡过程的同位素分馏参数，如矿物生长或溶解过程在非平衡条件下（快速溶解或沉积）的分馏。