CAJ | 학술논문

从山核桃壳中提取糠醛和单宁，检测其缓蚀性能，并进行量子化学计算。以冷轧钢为研究对象，用失重法研究了糠醛、单宁和单宁一乌洛托品复配液在盐酸溶液中的缓蚀性能，用DFT方法在B3LYP／6—31l＋G（d，p）水平对糠醛、单宁和乌洛托品分子进行了量子化学计算研究。结果表明：糠醛的缓蚀性能良好，单宁的缓蚀性能一般，但当单宁与乌洛托品复配后，发生了协同作用，极大提高了缓蚀率。
종산핵도각중제취강철화단저，검측기완식성능，병진행양자화학계산。이랭알강위연구대상，용실중법연구료강철、단저화단저일오락탁품복배액재염산용액중적완식성능，용DFT방법재B3LYP／6—31l＋G（d，p）수평대강철、단저화오락탁품분자진행료양자화학계산연구。결과표명：강철적완식성능량호，단저적완식성능일반，단당단저여오락탁품복배후，발생료협동작용，겁대제고료완식솔。
Quantum chemical calculation and corrosion inhibition behavior experiments of furfural and tannin, which were extracted from hickory hull, were carried out. The corrosion inhibition performances of above compound to cold rolled steel were studied in HCI solution, using weight-loss method. The molecules of tannins, urotropine and furfural were studied systemically by using Density Functional Theory(DFT) method at B3LYP/6-311+G(d,p) level. The results indicated that the corrosion inhibition performance of tannins was not as good as of furfural, but the tannin-urotropine combination solution had excellent inhibition performance because of synergistic effect.