本文選題：分子熱力學(xué)　切入點(diǎn)：狀態(tài)方程　出處：《高�；瘜W(xué)工程學(xué)報(bào)》2017年03期 　論文類型：期刊論文

【摘要】：采用三維硬球鏈流體分子熱力學(xué)模型構(gòu)建思路,以單體締合的統(tǒng)計(jì)力學(xué)理論為基礎(chǔ),獲得了二維硬碟鏈流體剩余亥氏函數(shù)和壓縮因子與空穴相關(guān)函數(shù)的關(guān)系。建立的模型已應(yīng)用于線型硬碟鏈流體,并探索了模型在不同結(jié)構(gòu)的硬碟鏈流體中的應(yīng)用。研究結(jié)果顯示,建立的模型能滿意預(yù)測r=5的硬碟鏈流體的壓縮因子,其預(yù)測精度優(yōu)于現(xiàn)有模型。相同鏈長、相同對比鏈節(jié)密度下,線型硬碟鏈流體壓縮因子最大、支鏈其次、環(huán)狀最小,證明所建模型能較好區(qū)分結(jié)構(gòu)對性質(zhì)的影響。
[Abstract]:Based on the statistical mechanics theory of monomer association, a three-dimensional molecular thermodynamic model of hard sphere chain fluid was constructed. The relation between the residual Helnian function and the compressibility factor of two-dimensional disk chain fluid and the hole correlation function is obtained. The model has been applied to the linear disk chain fluid. The application of the model in different structures of hard disk chain fluid is explored. The results show that the proposed model can satisfactorily predict the compression factor of the disk chain fluid of rc5, and its prediction accuracy is better than that of the existing model. Under the same contrast node density, the linear hard disk chain has the largest fluid compression factor, the second branch chain and the least ring. It is proved that the model can distinguish the influence of structure on the properties.
【作者單位】： 華東理工大學(xué)化學(xué)系化學(xué)工程聯(lián)合國家重點(diǎn)實(shí)驗(yàn)室;
【基金】：國家重點(diǎn)基礎(chǔ)研究發(fā)展計(jì)劃(2015CB251401) 國家自然科學(xué)基金(21476070,21276073)
【分類號(hào)】：O642
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本文編號(hào)：1611738