A high-performance molecular reconstruction method with parameter initialization based on PCA

Abstract Molecular reconstruction of naphtha is the first step of naphtha cracking, and a detailed and accurate feedstock composition is required for molecular management in ethylene preparation. PCA method extracts key variables from naphtha properties, and then parameter initialization and range limitation can be regressed based on industrial data. Relatively accurate result is obtained in simulated annealing model during naphtha composition’s optimization process due to the precise distribution graph of carbon number. A smaller optimization limitation range is indispensable for the high-performance simulation because the local optimal solution is avoided.