Abstract：A novel homologous series vector representation method was developed for naphtha in which each homologous molecule of naphtha is defined as a state variable and all these variables are then used to construct a high dimension vector space. Thus, any variation of naphtha as one point in this vector space can be blended linearly by a group of independent naphthas named Basis Oils. These basis oils are obtained using the non-negative matrix factorization (NMF) method with the components data matrix of a huge number of naphtha samples factorized into a characteristic matrix with a lower dimension and its coefficient matrix. In a case study, a naphtha model containing 21 groups of naphtha bases was extracted from 59 groups of naphtha samples with a maximum representation error of less than 2.5 percent of the original data.
梅华, 杜玉鹏, 王振雷, 钱锋. 基于分子同系物向量表示的石脑油特征提取方法[J]. 清华大学学报（自然科学版）, 2016, 56(7): 723-727.
MEI Hua, DU Yupeng, WANG Zhenlei, QIAN Feng. Naphtha characterization based on a molecular-type homologous series vector representation. Journal of Tsinghua University(Science and Technology), 2016, 56(7): 723-727.
 Vendeuvre C, Bertoncini F, Duval J L, et al. Comparison of conventional gas chromatography and comprehensive two-dimensional gas chromatography for the detailed analysis of petrochemical samples[J]. Journal of Chromatography A, 2004, 1056(1-2):331-347.
 Qian K N, Dechert G J. Recent advances in petroleum characterization by GC field ionization time-of-flight high-resolution mass spectrometry[J]. Analytical Chemistry, 2002, 74(16):3977-3983.
 Pyl S P, Van Geem K M, Reyniers M, et al. Molecular reconstruction of complex hydrocarbon mixtures:An application of principal component analysis[J]. AIChE Journal, 2010, 56(12):3174-3188.
 Saine Aye M, Zhang N, A novel methodology in transforming bulk properties of refining streams into molecular information[J]. Chemical Engineering Science, 2005, 60(23):6702-6717.
 Van Geem K M, Hudebine D, Reyniers M F, et al. Molecular reconstruction of naphtha steam cracking feedstocks based on commercial indices[J]. Computers and Chemical Engineering, 2007, 31(9):1020-1034.
 Dente M, Ranzi E. Detailed prediction of olefin yields from hydrocarbon pyrolysis through a fundamental simulation program (SPYRO)[J]. Computers and Chemical Engineering, 1979, 3(1-4):61-75.
 Speight J G. The Chemistry and Technology of Petroleum,[M]. 3rd Ed. New York, USA:Marcel Dekker, 1998.
 Riazi M R. Characterisation and Properties of Petroleum Fractions[M]. Philadelphia, USA:ASTM International, 2005.
 PENG Bin. Molecular Modeling of Refinery Process[D]. Manchester, UK:The University of Manchester, 1999.
 ZHANG Yan. A Molecular Approach for Characterization and Property Predictions of Petroleum Mixtures with Applications to Refinery Modeling[D]. Manchester, UK:The University of Manchester, 1999.
 Ahmad M I, Zhang N, Jobson M. Molecular components-based representation of petroleum fractions[J]. Chemical Engineering Research and Design, 2011, 89:410-420.
 Lee D, Seung H. Learning the parts of objects by non-negative matrix factorization[J]. Nature, 1999, 401:788-791.