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Predicting the surface tension of biodiesel fuels by a mixture topological index method, at 313 K

机译：通过混合拓扑指数方法在313 K下预测生物柴油燃料的表面张力

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This paper described a method to predict the surface tension of a biodiesel fuel from the molecular structure of its fatty acid methyl ester (FAME) components. A topological index was proposed that used a combination of the distance matrix and adjacency matrix of the molecular structure. The topological index contains information on the molecular structure for the FAMES, such as the carbon number and unsatu-rated bonds. The mean topological index values of five FAME mixtures (peanut, canola, coconut, and palm, soybean oil) were calculated by an integration using a modified Dalton-type mass-average equation. The relationship between the mean topological index and mean surface tension of FAME mixtures of biodiesel of known composition at 313 K was linear, and its regression equation allowed the surface tension of biodiesel fuels to be calculated. The relative error between the predicted surface tensions of the above biodiesel fuels and their measured values was within 2.19%. The surface tensions of five biodiesel fuels (corn, safflower, sunflower, and cottonseed, lard oil) were further predicted.
机译：本文描述了一种从脂肪酸甲酯（FAME）组分的分子结构预测生物柴油燃料表面张力的方法。提出了使用分子结构的距离矩阵和邻接矩阵的组合的拓扑索引。拓扑指数包含有关FAMES分子结构的信息，例如碳原子数和未饱和键。使用改良的道尔顿型质均方程通过积分计算五种FAME混合物（花生，低芥酸菜子，椰子和棕榈，大豆油）的平均拓扑指数值。已知组成的生物柴油的FAME混合物在313 K时的平均拓扑指数与平均表面张力之间的关系是线性的，其回归方程可以计算出生物柴油燃料的表面张力。上述生物柴油燃料的预测表面张力与其测量值之间的相对误差在2.19％以内。进一步预测了五种生物柴油燃料（玉米，红花，向日葵和棉籽，猪油）的表面张力。

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