Bond-breaking activation energy E_B is nowadays a key parameter for understanding and modeling crystal dissolution processes. However, a methodology to estimate E_B based on classical dissolution experiments still does not exist. We developed a new method based on the calibration of a Kossel type dissolution model on measured dissolution rates obtained by mass (or volume) variations over time. The dissolution model does not depend on the geometry of the crystal surface but only on the density of the different types of sites (kink, step, terrace, bulk). The calibration method was applied to different experimental setups (flow through and batch) with different ways of estimating the dissolution rates (solute concentration in the fluid, surface topography) for calcite crystals. Despite the variety of experimental conditions, the estimated bond-breaking activation energies were very close to each other (between 31 and 35 kJ/mol) and in good agreement with ab initio calculations.

键断裂活化能E _B现在是理解和模拟晶体溶解过程的关键参数。然而，估计E _B的方法基于经典的溶解实验仍然不存在。我们开发了一种基于 Kossel 型溶出模型校准的新方法，该模型通过质量（或体积）随时间的变化获得的测量溶出速率。溶解模型不依赖于晶体表面的几何形状，而只依赖于不同类型位点（扭结、台阶、阶地、体积）的密度。校准方法应用于不同的实验设置（流通和批次），使用不同的方法来估计方解石晶体的溶解速率（流体中的溶质浓度、表面形貌）。尽管实验条件多种多样，但估计的键断裂活化能彼此非常接近（在 31 到 35 kJ/mol 之间），并且与从头计算的结果非常吻合。