本文選題：分子同系物矩陣 + 石腦油��； 參考：《石油化工》2016年11期

【摘要】：針對石腦油的組成特點,對分子同系物(MTHS)矩陣進行簡化,以C_3~C_(12)的正構烷烴、異構烷烴、環(huán)烷烴和芳烴構成的分子矩陣來表示石腦油的分子水平組成;建立了通過工業(yè)中常用的石腦油物性數(shù)據(jù)(如蒸餾曲線、密度)等計算石腦油分子水平組成的方法。以各項物理性質(zhì)的實測值與預測值的殘差平方和構建目標函數(shù),并在原模型的基礎上加以有效的約束,進行優(yōu)化求解,得到石腦油分子水平組成數(shù)據(jù)。選擇兩組已知組成的石腦油作為樣本,由Aspen Plus模擬軟件計算其蒸餾曲線、密度等整體性質(zhì),根據(jù)上述方法對兩組樣本進行計算。兩組樣本的預測結(jié)果與真實組成的對比表明,該方法可用來預測石腦油分子水平組成,且準確度較原模型有提升。
[Abstract]:According to the characteristics of naphtha composition, the molecular homologue (MTHS) matrix is simplified, and the molecular level composition of naphtha is expressed by the molecular matrix composed of normal alkane, iso-alkane, cycloalkane and aromatics. A method for calculating the molecular composition of naphtha by means of naphtha physical property data (such as distillation curve, density) is established. The objective function is constructed by the sum of the square of the measured and predicted values of the physical properties, and the effective constraint is given on the basis of the original model, and the optimized solution is carried out, and the horizontal composition data of naphtha molecules are obtained. Two groups of known naphtha were selected as samples, and the distillation curves and densities were calculated by Aspen Plus simulation software. The two groups of samples were calculated according to the above method. The comparison between the predicted results of the two groups of samples and the real composition shows that the proposed method can be used to predict the molecular composition of naphtha, and the accuracy is higher than that of the original model.
【作者單位】： 天津大學化工學院;
【基金】：國家自然科學基金委與中國石油聯(lián)合基金重點項目(U1462206)
【分類號】：TE626.9

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