Fast Molecular Reconstruction of the Chemical Composition of Complex Hydrocarbon Mixtures

A new heuristic approach is proposed for significantly faster performance of stochastic molecular reconstruction. Its basis is a two-stage method that combines stochastic reconstruction and entropy maximization reconstruction. In the proposed method, the search for optimal distribution parameters is carried out by solving several relatively simple optimization problems. The proposed method makes it possible to reconstruct the composition of a vacuum gas oil sample at least 100 times faster than the classical approach with genetic algorithms.