Adsorption potency of imprinted Starch/PVA polymers confined ionic liquid with molecular simulation framework

被引：28

作者：

Khurana, Latika ^{[1
]}

Balasubramanian, K. ^{[2
]}

机构：

[1] Indian Inst Technol BHU, Dept Ceram Engn, Varanasi 221005, Uttar Pradesh, India

[2] DIAT, Dept Mat Engn, Pune 411025, Maharashtra, India

来源：

JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING | 2016年 / 4卷 / 02期

关键词：

Starch; PVA; RTIL; Molecular simulation; Sorption;

D O I：

10.1016/j.jece.2016.03.032

中图分类号：

X [环境科学、安全科学];

学科分类号：

08 ; 0830 ;

摘要：

The present work evaluates sorption competency of ion imprinted starch/PVA assimilated with RTIL nanofibers and virtual molecular modelling to ascertain inter-polymer miscibility parameters and compatibility, via Materials Studio software, for effectual radioactive thorium ion exclusion. The experimental statistics suggested high sorption efficacy (87%) at ecologically optimum conditions, i.e. pH 7, 0.5 g adsorbent dose, and best compliance with Langmuir isotherm model (R-2 = 0.975), among 2 parameter and 3 parameter models, along with close resemblance to Pseudo second order kinetics (R-2 = 0.968) revealed monolayer sorption mode with chemisorption as rate restraining step. Surface topography and morphology assessed by SPIP image processing software, BET and FESEM techniques advocated superior sorption ability for imprinted nanofiber system. In addition, the interaction between Starch-PVA estimated Chi parameter and mixing energy (kcal/mol) to be 1.63 and 1.90, respectively, and revealed better compatibility for Starch-RTIL blend. (C) 2016 Published by Elsevier Ltd.

引用

页码：2147 / 2154

页数：8

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