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利用响应面法优化环氧化开环反应合成棕榈油衍生物生物多元醇。

Optimisation of Epoxide Ring-Opening Reaction for the Synthesis of Bio-Polyol from Palm Oil Derivative Using Response Surface Methodology.

机构信息

Higher Education Centre of Excellence (HiCoE), Institute of Tropical Forestry and Forest Product, University Putra Malaysia, Serdang 43400, Selangor, Malaysia.

Malaysian Palm Oil Board, No. 6, Persiaran Institusi, Bandar Baru Bangi, Kajang 43000, Selangor, Malaysia.

出版信息

Molecules. 2021 Jan 27;26(3):648. doi: 10.3390/molecules26030648.

DOI:10.3390/molecules26030648
PMID:33513686
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7865885/
Abstract

The development of bio-polyol from vegetable oil and its derivatives is gaining much interest from polyurethane industries and academia. In view of this, the availability of methyl oleate derived from palm oil, which is aimed at biodiesel production, provides an excellent feedstock to produce bio-polyol for polyurethane applications. In this recent study, response surface methodology (RSM) with a combination of central composite rotatable design (CCRD) was used to optimise the reaction parameters in order to obtain a maximised hydroxyl value (OHV). Three reaction parameters were selected, namely the mole ratio of epoxidised methyl oleate (EMO) to glycerol (1:5-1:10), the amount of catalyst loading (0.15-0.55%) and reaction temperature (90-150 °C) on a response variable as the hydroxyl value (OHV). The analysis of variance (ANOVA) indicated that the quadratic model was significant at 98% confidence level with (-value > 0.0001) with an insignificant lack of fit and the regression coefficient (R) was 0.9897. The optimum reaction conditions established by the predicted model were: 1:10 mole ratio of EMO to glycerol, 0.18% of catalyst and 120 °C reaction temperature, giving a hydroxyl value (OHV) of 306.190 mg KOH/g for the experimental value and 301.248 mg KOH/g for the predicted value. This result proves that the RSM model is capable of forecasting the relevant response. FTIR analysis was employed to monitor the changes of functional group for each synthesis and the confirmation of this finding was analysed by NMR analysis. The viscosity and average molecular weight (MW) were 513.48 mPa and 491 Da, respectively.

摘要

从植物油及其衍生物中开发生物多元醇正引起聚氨酯行业和学术界的极大兴趣。鉴于此,棕榈油衍生的油酸甲酯(用于生物柴油生产)的可用性为生产用于聚氨酯应用的生物多元醇提供了极好的原料。在这项最新研究中,使用响应面法(RSM)与中心复合旋转设计(CCRD)相结合来优化反应参数,以获得最大的羟值(OHV)。选择了三个反应参数,即环氧油酸甲酯(EMO)与甘油的摩尔比(1:5-1:10)、催化剂负载量(0.15-0.55%)和反应温度(90-150°C),作为响应变量羟值(OHV)。方差分析(ANOVA)表明,二次模型在 98%置信水平下显著(-值>0.0001),拟合不良不显著,回归系数(R)为 0.9897。预测模型确定的最佳反应条件为:EMO 与甘油的摩尔比为 1:10、催化剂用量为 0.18%、反应温度为 120°C,实验值的羟值(OHV)为 306.190mg KOH/g,预测值为 301.248mg KOH/g。该结果证明 RSM 模型能够预测相关反应。傅里叶变换红外光谱(FTIR)分析用于监测每个合成过程中官能团的变化,并用核磁共振(NMR)分析对这一发现进行了确认。该多元醇的粘度和平均分子量(MW)分别为 513.48mPa 和 491Da。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bf3e/7865885/508a42ad98a9/molecules-26-00648-g009.jpg
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