Molecular surface area based predictive models for the adsorption and diffusion of disperse dyes in polylactic acid matrix.
作者： Suxin Xu , Jiangang Chen , Bijia Wang , Yiqi Yang
DOI: 10.1016/J.JCIS.2015.07.028
关键词: Thermodynamics 、 Organic chemistry 、 Diffusion (business) 、 Accessible surface area 、 Activation energy 、 Sorption 、 Polylactic acid 、 Materials science 、 Adsorption 、 Kinetics 、 Matrix (chemical analysis)
摘要: Two predictive models were presented for the adsorption affinities and diffusion coefficients of disperse dyes in polylactic acid matrix. Quantitative structure–sorption behavior relationship would not only provide insights into sorption process, but also enable rational engineering desired properties. The thermodynamic kinetic parameters three measured. model affinity was based on two linear relationships derived by interpreting experimental measurements with molecular structural compensation effect: ΔH° vs. dye size ΔS° ΔH°. Similarly, coefficient relationships: activation energy logarithm pre-exponential factor diffusion. required both are temperature solvent accessible surface area molecule. These validated testing properties new dyes. offer fairly good ability. linkage between parameter behaviors might be generalized extended to other similar polymer–penetrant systems.
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