Computed Properties of C23H32O2In 2022, Deng, Mei;Cao, Xuejuan;Li, Zhihao;Li, Xiaoyu;Yang, Xiaoyu;Tang, Boming published 《Investigating properties and intermolecular interactions of sludge bio-oil modified asphalt》. 《Journal of Molecular Liquids》published the findings. The article contains the following contents:
Bio-asphalt is a binder composed of bio-oil and petroleum asphalt under certain conditions. In this study, sludge bio-oil (wt 10%) was added into matrix asphalt to prepare sludge bio-asphalt for the first time. The effects of sludge bio-oil on asphalt performance and the essence of interaction between components were investigated using performance test, mol. dynamics (MD) simulation, and d. functional theory (DFT). Chem. anal. showed that the ester compound containing ester functional group (-COOH) was the main component of sludge bio-oil. Phys. and rheol. tests were performed to examine whether the properties of sludge bio-asphalt could be improved. The results found that sludge bio-oil can be used to soften the hard asphalt. Furthermore, the existence of bio-oil reduced complex modulus G* of master curves and stiffness, also increased Jnr and m-value, which means that sludge bio-oil had a pos. effect on the low-temperature thermal cracking resistance performance while sacrificing the high-temperature rutting resistance performance to some extent. Fourier IR spectroscopy (FTIR) and fluorescence spectrum (FM) anal. indicated that sludge bio-oil evenly dispersed in the asphalt, and the bio-asphalt structure resembled that of the conventional binder. The results of MD simulation further showed that O atom of -COOH and H atom in the asphalt mols. formed hydrogen bond (O-H···O, O-H···C) interaction. This changed originally existed conformational packing of agglomeration and further prevented the agglomeration of component mols. In addition, the anal. of cohesive energy d. (CED) and solubility parameters (SP) revealed that sludge bio-oil significantly influenced the compatibility of asphaltene-asphaltene, resin-resin, and asphaltene-resin components. These, in turn, may explain some of the observed improvements in rheol. properties.2,2-Methylenebis(6-tert-butyl-p-cresol) (cas: 119-47-1) were involved in the experimental procedure.
Computed Properties of C23H32O22,2′-Methylenebis(4-methyl-6-tert-butylphenol)(CAS: 119-47-1) is a natural product found in Streptomyces and Aspergillus fumigatus .
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