Theoretical analysis of predictive miscibility of carbohydrate polymers – Software calculations for inulin–amylopectin systems

• Published in: Carbohydrate polymers Vol. 72; no. 1; pp. 52 - 59
• Main Authors: Icoz, Didem Z., Kokini, Jozef L.
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 03.04.2008
• Subjects: Amylopectin; computer analysis; dextran; equations; hydrogen bonding; Inulin; miscible displacement; mixtures; Painter-Coleman association model; polymers; prediction; Predictive miscibility; quantitative analysis; thermodynamics; Painter–Coleman association model; Amylopectin; Predictive miscibility; Inulin
• ISSN: 0144-8617; 1879-1344
• DOI: 10.1016/j.carbpol.2007.07.018

In this paper, the quantitative understanding of predictive miscibility gained with dextrans (which was demonstrated in our earlier paper, [Icoz, D. Z., & Kokini, J. L. (2007c). Quantitative prediction of miscibility in dextran systems as model carbohydrate polymers using Painter–Coleman association model. Carbohydrate Polymers, doi:10.1016/j.carbpol.2007.03.012] was tested on predictive miscibility/immiscibility in inulin–amylopectin blends at limited moisture conditions. Painter–Coleman association model was used with its capability to account for hydrogen bonding interactions on predictive miscibility. Thermodynamics of mixing, including free energy of mixing and its 2nd derivative, enthalpy and entropy of mixing, and free energy of hydrogen bonding contribution were calculated. The approximate prediction rules set with dextran systems using Painter–Coleman association model (i.e., use of hydrogen bond formation of analogue compounds to approximate hydrogen bonding in carbohydrates; using the intra-molecular screening parameter of γ = 0.30; and selecting low M w polymer as the self-associating component) was shown to successfully predict miscibility/immiscibility in inulin–amylopectin systems as an example for real carbohydrate blends.