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基于Miedema模型和Toop模型的Al-Si-Er合金熱力學(xué)參數(shù)計算
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Calculation of Thermodynamic Parameters of Al-Si-Er Alloy Based on Miedema Model and Toop Model
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    摘要:

    運用Miedema混合焓模型計算了Al-Er、Si-Er和Al-Si二元合金的部分熱力學(xué)性質(zhì),選擇Er為非對稱性組元,在此基礎(chǔ)上結(jié)合Toop模型計算出Al-Si-Er三元合金的混合焓、過剩熵與過剩自由能。結(jié)果表明,Al-Si-Er三元合金的混合焓、過剩熵與過剩自由能在整個濃度范圍內(nèi)均為負值,在富Er和貧Er區(qū)域各熱力學(xué)參數(shù)變化趨勢較大。通過計算Al、Si和Er 3種組元的偏摩爾過剩自由能得到Al-Si-Er三元合金各組元的等活度值曲線。曲線顯示各組元隨著摩爾分數(shù)的減少其活度值都急劇減小,在三元系成分三角形的中心部分Al、Si和Er的活度值都很小,這表明Al、Si和Er 3種組元之間存在很強的相互作用,易形成三元金屬間化合物,這一結(jié)論與Al-Si-Er三元相圖的實際情況相符合。

    Abstract:

    Based on the Miedema formation enthalpy model, thermodynamic properties of Al-Er, Si-Er and Al-Si binary alloy were calculated, and Er was chosen as the asymmetric component in asymmetric model. Combining with Toop model, the enthalpies of formation, excess entropies and excess free-energy of Al-Si-Er ternary alloy were calculated. The results show that the enthalpies of formation, excess entropies and excess free-energy of the ternary alloy are all negative in the whole content range, and their values change obviously in the zone where the content of Er is high or low. Through calculating partial molar excess Gibbs energy of three components (Al, Si, Er), isoactivity curves of all components of Al-Si-Er ternary alloy at 1073 K were obtained. The curves show that these values of all components of Al-Si-Er ternary alloy decreased dramatically along with the diminishing of molar fraction, and these activity values of Al, Si and Er were slight in the central zone of composition triangle of ternary system. It indicates that there was strong interaction among the three components, and they were easy to form ternary intermetalic compound, which coincided with the ternary phase diagram.

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孫順平,易丹青,臧 冰.基于Miedema模型和Toop模型的Al-Si-Er合金熱力學(xué)參數(shù)計算[J].稀有金屬材料與工程,2010,39(11):1974~1978.[Sun Shunping, Yi Danqing, Zang Bing. Calculation of Thermodynamic Parameters of Al-Si-Er Alloy Based on Miedema Model and Toop Model[J]. Rare Metal Materials and Engineering,2010,39(11):1974~1978.]
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  • 收稿日期:2009-11-26
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