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Water activity in multicomponent model food systems from thermodynamic activity coefficient equations.

机译:从热力学活度系数方程式看多组分食品系统中的水活度。

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Water activity is an important food preservation criterion affecting various types of spoilage reactions and microbial growths. A number of empirical equations for predicting this parameter in model food systems are available in the literature. However, no attempt has thus far been made to use these thermodynamic equations for this purpose.;The present study is concerned with the application of four well known thermodynamic equations for the calculation of activity coefficients to the calculation of the water activities of model food systems. The activity coefficient is a measure of the lowering of the vapor pressure exerted in and above an aqueous mixture due to associations of the water molecules with the mixture ingredients.;The equations studied were the two-suffix Margules equation, the three-suffix Margules equation, the van Laar equation, and the Wilson equation. These activity coefficient equations were applied to the calculation of the water activities of ternary solutions at room temperature for all combinations of two of the following four ingredients plus water: glucose, fructose, sucrose, and glycerol. The calculated data were compared with measured laboratory data and with standard data calculated with the UNIQUAC equation using parameters from the literature.;The three-component forms of the activity coefficient models are compiled as combinations of the binary forms. All of the binary parameters that are present in each of the three binary activity coefficient equations relating the three components of a ternary solution are present in the ternary solutions; but, with the exception of the three-suffix Margules equation, no additional ternary parameters are involved, and this is the convenient advantage of these equations: no additional parameters other than those of the binary solutions are needed. Parameters of the binary forms are obtained by curve-fitting activity coefficient versus water mole fraction by nonlinear regression.;The results indicate very good prediction of the three-component water activities for the complete range of solubility of the solid components. In particular, it was found that the two-suffix Margules equation, which models the type of symmetric behavior of binary component versus mole fraction present in these solutions, and the Wilson equation, fit this data very well. The van Laar equation was also good, but the three-suffix Margules equation was found to need further modification for the three-component calculations, particularly when one data set was involved. (Abstract shortened by UMI.)
机译:水分活度是影响各种腐败反应和微生物生长的重要食品保存标准。文献中提供了许多用于在模型食品系统中预测此参数的经验公式。然而,迄今为止,尚未尝试将这些热力学方程式用于此目的。本研究涉及将四个众所周知的热力学方程式用于计算活动系数来计算模型食物系统的水活度。活度系数是衡量由于水分子与混合物成分的缔合而在水性混合物中及其上施加的蒸气压降低的量度。研究的方程式是两个后缀的Margules方程,三个后缀的Margules方程,van Laar方程和Wilson方程。这些活度系数方程式用于计算以下四种成分中的两种加水(葡萄糖,果糖,蔗糖和甘油)的所有组合在室温下三元溶液的水活度。将计算的数据与测得的实验室数据以及使用文献中的参数通过UNIQUAC方程计算的标准数据进行比较。活度系数模型的三成分形式被汇编为二进制形式的组合。与三元解的三个分量有关的三个二元活度系数方程中的每一个存在的所有二元参数都在三元解中。但是,除了三后缀的Margules方程外,不涉及任何其他三元参数,这是这些方程式的便利优点:除了二进制解的参数外,不需要其他任何参数。通过曲线拟合活度系数对水摩尔分数的非线性拟合,可以得到二元形式的参数。结果表明,对于固体成分的完整溶解度,三成分水活度的预测非常好。尤其是,发现两个后缀的Margules方程可以很好地拟合此数据,该方程对这些解决方案中存在的二元组分相对于摩尔分数的对称行为的类型进行了建模。 van Laar方程也很好,但是发现三后缀的Margules方程需要对三分量计算进行进一步修改,尤其是在涉及一个数据集时。 (摘要由UMI缩短。)

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