用UNIFAC方法预测液体平衡系统

Lusiana Sri Wahyuni, Bahruddin, I. Zahrina
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摘要

通过将聚乙烯醇与淀粉混合来制造生物塑料,例如从西米、木薯、红薯和土豆等中提取的淀粉已被广泛应用。然而,在某些情况下,由于混合聚合物之间缺乏互溶性,聚合物的共混可能不会产生所需的性能。因此,在制造生物塑料时,淀粉和聚乙烯醇的混合物需要原料的混溶性的数据支持,以使生物塑料成为水溶剂。用UNIQUAC官能团活度系数法(UNIFAC)预测混相性。对淀粉、PVA和水三元体系进行UNIFAC计算得到的活度系数表明,淀粉的活度系数随淀粉组成的增加而增加,而PVA的活度系数不是很稳定。水活度系数呈现相反的趋势。温度对淀粉和PVA的组成似乎没有明显的影响,由计算得到淀粉的组成为0.01045 - 0.15325,PVA为0.38407 - 0.23860。同样,水表明加热温度并不真正影响水的成分。通过对混合物的平衡进行计算,得到淀粉、PVA和水的混合物的正确组成,从而形成完美的混合物。平衡组分的计算结果如三元图所示。该图为单相图,如果含有两种组分的混合物完全溶解,将形成单相区。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Prediksi Kesetimbangan Cair-Cair Sistem Pati-PVA-Air dengan metode UNIFAC
The manufacture of bioplastics by mixing PVA with starch, for example from sago, cassava, sweet potatoes, and potatoes and so on have been widely practiced. However, in some cases, blending of the polymers may not produce the desired properties due to the lack of miscibility between the mixed polymers. So that in making bioplastics a mixture of starch and PVA requires data support of the miscibility of raw materials for making bioplastics into water solvents. Miscibility can be predicted using UNIQUAC Functional - group Activity Coefficient (UNIFAC) method. The activity coefficient resulting from the UNIFAC calculation of the ternary system of starch, PVA and water shows that the activity coefficient of starch tends to increase with increasing starch composition, while the activity coefficient of PVA is not very stable. The water activity coefficient shows the opposite tendency. Temperature does not seem to have a significant effect on the composition of starch and PVA, from the calculation obtained the starch composition of 0.01045 - 0.15325 and PVA 0.38407 - 0.23860. Likewise, water shows that the heating temperature does not really affect the composition of the water. The calculation of the balance of the mixture is carried out to get the right composition for the mixture of starch, PVA and water to form a perfectly mixed mixture. The results of calculating the composition in equilibrium are shown in the ternary diagram. The diagram shows a single-phase graph, where if a mixture containing 2 components dissolves completely, it will form a single-phase region.
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