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Comparison of the molecular interaction volume model with the Unified interaction Parameter Formalism in the Fe-Cr-Ni Liquid Alloys at 1873 K

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Journal of Materials Science & Technology 2006年第4期22卷 559-564页

作者： Dongping TAO Faculty of Materials and Metallurgical Engineering, Kunming University of Science and Technology, Kunming 650093, China Faculty of Materials and Metallurgical Engineering Kunming University of Science and Technology Kunming 650093 China

The molecular interaction volume model (MIVM) for a general ternary system was deduced in detail for further clarifying and understanding its general multicomponent expression. Both MIVM and the unified interaction parameter formalism (UIPF) can be used to predict the activities of solutes and solvents in the Fe-Cr-Ni liquid alloys. But the former employs only the infinite dilute activity coefficients, and the later is not applicable without the dilute binary and ternary interaction parameters. MIVM has a certain physical meaning from the viewpoint of statistical thermodynamics, so it is an alternative for the estimation of activity coefficients of the solutes and solvents in a dilute or finite concentration metal solution where the interaction parameters are absent or their accuracies are questionable.

关键词： Activity Prediction molecular interaction volume model Unified interaction parameter formalism

Comparison of the molecular interaction volume model with the Wagner Formulae in the Zn-Pb-In and Zn-Sn-Cd-Pb Dilute Solutions

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Journal of Materials Science & Technology 2004年第3期20卷 279-284页

作者： Dongping TAO Zhuo CHEN Dunfang LI Yifeng GAO Qianghua SHEN School of Materials and Metallurgical Engineering, Kunming University of Science and Technology, Kunming 650093, China Sch. of Mat. and Metall. Eng. Kunming Univ. of Sci. and Technol. Kunming 650093 China

The coordination numbers in the molecular interaction volume model (MIVM) can be calculated from the commonphysical quantities of pure liquid metals. A notable feature of the model lie in its capability to predict the ther-modynamic properties of solutes in the Zn-Pb-In and Zn-Sn-Cd-Pb dilute solutions using only the binary infinitedilute activity coefficients, and the predicted values are in good agreement with the experimental data of the dilutesolutions.

关键词： Activity Prediction Dilute metal solution molecular interaction volume model

PREDICTION OF THE MIXING ENTHALPIES OF BINARY LIQUID ALLOYS BY molecular interaction volume model

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Acta Metallurgica Sinica(English Letters) 2008年第5期21卷 336-340页

作者： H.W. Yang D.P. Tao Z.H. Zhou Faculty of Materials and Metallurgical Engineering Kunming University of Science and Technology Kunming 650093 China

The mixing enthalpies of 23 binary liquid alloys are calculated by molecular interaction volume model （MIVM）, which is a two-parameter model with the partial molar infinite dilute mixing enthalpies. The predicted va... 详细信息

关键词： molecular interaction volume model Mixing enthalpy Liquid alloys Prediction

An Estimation of Component Activity of Vanadium-bearing Liquid Iron and Transition Temperature of Vanadium Oxidization Using MIVM

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Journal of Iron and Steel Research International 2015年第7期22卷 557-565页

作者： Ya-yu LI Zhen-nan LIU Dong-ping TAO Faculty of Metallurgical and Energy Engineering Kunming University of Science and Technology

The component activity of Mn in Fe-C-Mn system as well as the component activities of C and Si in Fe-C-Si system was predicted by applying the pseudo-multicomponent approach of the molecular interaction volume model （MIVM） and the Wagner interaction parameter formalism （WIPF） respectively. The average relative errors between the predicted values of MIVM and the experimental data for the three components were 4.5 0%, 17.0% and 13.0 %, respectively, and those between the calculation results of the WIPF and the experimental data were 18.0K for Mn, 9.0% for C and 27.0% for Si. The results indicated that the MIVM method could better predict the component activity of carbonaceous iron-based solution. Based on the data in an actual blowing process, the MIVM method was applied to predict the component activities of C and V as well as the transition temperature of vanadium oxidization （TTVO） in Fe-C-V-Si quaternary iron-based solution, and a comparative analysis of the predictions against the ex- perimental data was carried out, with their average relative errors being 24.0% for C, 7.3% for V and 1.0% for TTVO respectively. On that basis, the TTVO at Panzhihua Iron and Steel （Group） Co. , Ltd. was estimated by the MIVM method and an expression that the TTVO changed with composition and temperature of iron solutions was obtained by multiple linear regression method. The research results showed that the estimated values were in good agree- ment with the practical data.

关键词： thermodynamic model molecular interaction volume model activity vanadium-bearing liquid iron transition temperature