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含超临界二氧化碳的活性甲氧基聚乙二醇炔烃数据集。

Dataset of working mPEG-alkyne with scCO.

作者信息

López S, Ramos M J, García-Vargas J M, García M T, Rodríguez J F, Gracia I

机构信息

Department of Chemical Engineering, Institute of Chemical and Environmental Technology (ITQUIMA), University of Castilla-La Mancha, Avda. Camilo José Cela 12, 13071 Ciudad Real, Spain.

出版信息

Data Brief. 2021 Feb 25;35:106907. doi: 10.1016/j.dib.2021.106907. eCollection 2021 Apr.

Abstract

This article contains data related to the research article entitled "Carbon dioxide sorption and melting behavior of mPEG-alkyne". The presented data gives information on the thermodynamics properties of the solvent and the polymer. The time saturation of mPEG-alkyne in supercritical carbon dioxide (scCO) was evaluated in a high-pressure variable volume cell in different period of time at different pressure at the same temperature. The effects of pressure and temperature on the density of CO when it is above supercritical conditions are determined with Sanchez Lacombe and Bender Equation and compared with the NIST database and values of equation of Bender. The characteristic parameters of CO were determined with the equations proposed by Chengyong Wang et al. [1] and the sum of squared error was calculated for each parameter. Furthermore in this work the solubility data of scCO/polymer mixture were correlated with Sanchez Lacombe Equation of State (SL EOS) and Heuristic model proposed by Irene Pasquali et al. [2]. This work describes the methodology for solving the SL EOS between the polymer and scCO and the procedure of determining the solubility parameter with the group contribution method necessary to apply the heuristic model is described.

摘要

本文包含与题为“mPEG-炔烃的二氧化碳吸附和熔化行为”的研究论文相关的数据。所呈现的数据给出了溶剂和聚合物的热力学性质信息。在同一温度下,于高压可变体积池中在不同压力下的不同时间段评估了mPEG-炔烃在超临界二氧化碳(scCO₂)中的时间饱和度。利用桑切斯-拉孔布方程和本德方程确定了CO₂在超临界条件以上时压力和温度对其密度的影响,并与美国国家标准与技术研究院数据库以及本德方程的值进行了比较。利用王成勇等人[1]提出的方程确定了CO₂的特征参数,并计算了每个参数的平方误差之和。此外,在本工作中,scCO₂/聚合物混合物的溶解度数据与桑切斯-拉孔布状态方程(SL EOS)以及艾琳·帕斯夸利等人[2]提出的启发式模型相关联。本文描述了求解聚合物与scCO₂之间的SL EOS的方法,并描述了应用启发式模型所需的用基团贡献法确定溶解度参数的过程。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/75e2/7937988/25e66ed596e9/gr1.jpg

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