Calculation and Verification for the Thermodynamic Data of 3CaO·3Al2O3·CaSO4

›› 2011, Vol. 19 ›› Issue (3): 489-495.

Calculation and Verification for the Thermodynamic Data of 3CaO·3Al₂O₃·CaSO₄

王文龙, 陈晓冬, 陈莹, 董勇, 马春元

National Engineering Laboratory for Coal-fired Pollutants Emission Reduction, Shandong University, Jinan 250061, China

收稿日期:2010-10-26 修回日期:2011-02-09 出版日期:2011-06-28 发布日期:2011-06-28
通讯作者: WANG Wenlong, E-mail: wwenlong@sdu.edu.cn
基金资助:
Supported by the National Natural Science Foundation of China(50906046);the National High-Tech Research and Development Program of China(2009AA05Z303);the Program for New Century Excellent Talents in University(NCET-10-0529)

Calculation and Verification for the Thermodynamic Data of 3CaO·3Al₂O₃·CaSO₄

WANG Wenlong, CHEN Xiaodong, CHEN Ying, DONG Yong, MA Chunyuan

National Engineering Laboratory for Coal-fired Pollutants Emission Reduction, Shandong University, Jinan 250061, China

Received:2010-10-26 Revised:2011-02-09 Online:2011-06-28 Published:2011-06-28
Supported by:
Supported by the National Natural Science Foundation of China(50906046);the National High-Tech Research and Development Program of China(2009AA05Z303);the Program for New Century Excellent Talents in University(NCET-10-0529)

摘要/Abstract

摘要： Calcium sulfoaluminate,3CaO·3Al₂O₃·CaSO₄,has been widely recognized in the realms of high-temperature combustion and cement chemistry.However,the lack of relevant thermodynamic data limits the progress of its research and development.Through comparative calculations using several different approaches,we obtain the thermochemical properties of 3CaO·3Al₂O₃·CaSO₄ in this work,such as its standard formation enthalpy,Gibbs free energy of formation,entropy,and molar heat capacity.With these fundamental data,thermodynamic calculations become possible for reactions involving this mineral.It is found that some reactions proposed in literature to generate this mineral may not proceed thermodynamically.

关键词: calcium sulfoaluminate, standard formation enthalpy, Gibbs free energy of formation, entropy, molar heat capacity

Abstract: Calcium sulfoaluminate,3CaO·3Al₂O₃·CaSO₄,has been widely recognized in the realms of high-temperature combustion and cement chemistry.However,the lack of relevant thermodynamic data limits the progress of its research and development.Through comparative calculations using several different approaches,we obtain the thermochemical properties of 3CaO·3Al₂O₃·CaSO₄ in this work,such as its standard formation enthalpy,Gibbs free energy of formation,entropy,and molar heat capacity.With these fundamental data,thermodynamic calculations become possible for reactions involving this mineral.It is found that some reactions proposed in literature to generate this mineral may not proceed thermodynamically.

Key words: calcium sulfoaluminate, standard formation enthalpy, Gibbs free energy of formation, entropy, molar heat capacity

王文龙, 陈晓冬, 陈莹, 董勇, 马春元. Calculation and Verification for the Thermodynamic Data of 3CaO·3Al₂O₃·CaSO₄[J]. , 2011, 19(3): 489-495.

WANG Wenlong, CHEN Xiaodong, CHEN Ying, DONG Yong, MA Chunyuan. Calculation and Verification for the Thermodynamic Data of 3CaO·3Al₂O₃·CaSO₄[J]. , 2011, 19(3): 489-495.

参考文献

1 Wang, Y.M., Su, M.Z., Zhang, L., Sulfoaluminate Cement, Beijing University of Technology Press, Beijing, China(1999).(in Chinese)
2 Luz, C.A., Pera, J., Cheriaf, M., Rocha, J.C., “Behavior of calcium sulfoaluminate cement in presence of high concentrations of chromium salts”, Cement Conc. Res., 37, 624-629(2007).
3 Zhou, Q., Milestone, N.B., Hayes, M., “An alternative to Portland cement for waste encapsulation—The calcium sulfoaluminate cement system”, J. Hazard. Mater., 136, 120-129(2006).
4 Liu, B., Ma, S.H., Shen, X.D., Ji B., Zhong, B.X., “Progress in research on Portland cement clinker containing calcium sulfoaluminate”, Mater. Rev., 22, 436-440(2008).(in Chinese)
5 Wang, W.L., Luo, Z.Y., Shi, Z. L., Cen, K.F., “Experimental study on cement clinker co-generation in pulverized coal combustion boilers of power plants”, Waste Manage. Res., 24, 207-214(2006).
6 Arjunan, P., Silsbee, M.R., Roy, D.M., “Sulfoaluminate-belite cement from low-calcium fly ash and sulfur-rich and other industrial by products”, Cement Conc. Res., 29, 1305-1311(1999).
7 Zhao, G.J., Xie, J.L., Lu, C.M., Han, K.H., “Study on formation process of sulfoaluminate calcium during high temperature desulfurization”, J. Fuel Chem. Technol.(China), 34, 665-669(2006).(in Chinese)
8 Liu, H., Qiu, J.R., Xiong, Q.J., Kong, F.H., Zhang, X.P., Wang, Q.H., Xiao, X.Q., “Transportation and heterogeneous reactions of calcium containing minerals in coal combustion solid residues”, Proc. CSEE., 25, 72-78(2005).(in Chinese)
9 Yang, T.H., Li, R.D., Li, Y.J., Zhou, J.H., Cen, K.F., “The desulfurization behavior of mineral matter in ash during coal combustion at high temperature”, J. Fuel Chem. Technol.(China), 35, 23-26(2007).(in Chinese)
10 Yang, T.H., Li, R.D., Zhou, J.H., Cen, K.F., “Study on reaction thermodynamics concerning formation of calcium sulfoaluminate — High temperature sulfer-fixation substance-phase”, Therm. Power Generation.(China), 35, 6-9(2006).(in Chinese)
11 Ma, S.H., Shen, X.D., Huang, Y.P., Zhong, B.X., “Preparation and formation mechanism of calcium sulphoalumiate”, J. Chin. Ceram. Soc., 36, 78-81(2008).
12 Mostafa, A.G., Eakman, J.M., Yarbro, S.L., “Prediction of standard heats and Gibbs free energies of formation of solid inorganic salts from group contributions”, Ind. Eng. Chem. Res., 34, 4577-4582(1995).
13 Wen, Y.K., Shao, J., Wang, S.S., Chen, D.W., “A simplified formula to calculate heat of formation of oxyacid salt and mineral”, Acta Metall. Sin., 15, 98-108(1979).
14 Wen, Y.K., Shao, J., Chen, D.W., “Calculation of standard free energies of formation of oxyacid salt minerals”, Scientia Geol. Sin.,(4), 348-357(1978).(in Chinese)
15 Li, X.B., Li, Y.F., Liu, X.M., Liu, G.H., Peng, Z.H., Zhai, Y.C., “A simple method of estimation of Gibbs free energy and enthalpy of complicate silicates”, J. Chin. Ceram. Soc., 29, 232-237(2001).(in Chinese)
16 Kopp, H., “Investigation of the specific heat of solid bodies”, Phil. Trans. R. Soc. Lond., 155, 71-202(1865).
17 Mostafa, A.G., Eakman, J.M., Montoya, M.M., Yarbro, S.L., “Prediction of heat capacities of solid inorganic salts from group contributions”, Ind. Eng. Chem. Res., 35, 343-348(1996).
18 Kubaschewski, O., ünal, H., “An empirical estimation of the heat capacities of inorganic compounds”, High Temp.-High Pressure., 9, 361-365(1977).
19 Spencer, P.J., “Estimation of thermodynamic data for metallurgical applications”, Thermochim. Acta, 314, 1-21(1998).
20 Latimer, W.M., “Methods of estimating the entropies of solid compounds”, J. Am. Chem. Soc., 73, 1480-1490(1951).
21 Mills K.C., Thermodynamic Data for Inorganic Sulfides, Selenides and Tellurides, Butterworths, London, UK(1974).
22 Ambrose, D., “Publications in the field of chemical thermodynamics by the Division of Chemical Standards at N.P.L.”, J. Chem. Thermodyn., 14, 61-76(1982).
23 Richter, J., Vreuls, W., “Estimation of molar entropies of solid and molten salts based on linear dependence of entropies on the radius of cation constituent”, Rep. Bunsen Soc. Phys. Chem., 83, 1023-1026(1979).(in German)
24 Ye, D.L., Hu, J.H., Practical Thermodynamical Data Book of Inorganic Substances, Metallurgical Industry Press, Beijing, China(2002).(in Chinese)
25 Barin, I., Knacke, O., Thermochemical Properties of Inorganic Substances, Springer, Berlin, Germany(1973).
26 Barin, I., Knacke, O., Thermochemical Properties of Inorganic Substances, Supplement, Springer, Berlin, Germany(1977).
27 Zhejiang University, Wuhan University of Technology, eds., Silicate Physical Chemistry, China Construction Industry Press, Beijing, China(1980).(in Chinese)
28 Wang, W.L., Wang, P., Ma, C.Y., Luo, Z.Y., “Calculation for mineral phases in the calcination of desulfurization residue to produce sulfoaluminate cement”, Ind. Eng. Chem. Res., 49, 9504-9510(2010).

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Calculation and Verification for the Thermodynamic Data of 3CaO·3Al₂O₃·CaSO₄

Calculation and Verification for the Thermodynamic Data of 3CaO·3Al₂O₃·CaSO₄

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