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Thesis Advisor李道昭
Degree Grantor中国科学院研究生院
Abstract本论文针对高温多相多组元化学反应的特点,用FORTRAN 77编制了适宜于CVD过程应用的程序,分别调用工程化学数据库(GLIB)中的无机热化学数据库"ITDB"及多相多组元化学平衡程序包中计算方法RVGS,分别对氢还原混合氯化物四氯化钛和四氯化硅的反应体系;氢还原四氯化钛和三氯化铁反应体系及有活性铁存在下氢还原四氯化钛的反应进行了估算。计算了生成不同原子比的钛硅化合物,钛铁金属间化合物沉积相的实验条件及各因素对沉积率的影响。实验验证了钛硅体系在LogM_(Ti,g) = 1的条件下可生成TiSi_2、TiSi。并在前人实验基础上对钛硅间化合物热力学数据进行修正,修正后的数据计算结果和实验吻合得较好。实验结果及计算结果均证实该体系的固相沉积物中存在有两相区。对氢还原法生产钛硅过程的能耗计算表明,用此方法得到钛硅合金的能耗大大低于现行工艺。本论文还对四氯化钛与三氯化铁复合氢还原反应,四氯化钛与铁氢还原反应做了理论计算。计算表明:控制一定的实验条件可生成钛铁金属间化合物。实验验证了在海绵铁存在下氢还原四氯化钛,在多孔的海绵铁表面可生成了钛铁金属间化合物。同时探索了在熔融金属上氢还原金属氯化物生产合金的可能性,为进一步的研究打下了基础。以上研究表明,氢复合还原混合氯化物是制备合多的有效途径。对此体系的深入研究,对氯化冶金工艺及特种功能材料合金的发展都具有一定的意义。可望成为生产各种功能材料的有效的途径。
Other AbstractTo counter the properties of pyrochemical reaction of multiphase and multicomponent, this paper make many programs in FORTRAN 77 which are suitable to the processes of Chemical Vapour Deposition (CVD). Inorganic Thermochemistry Database (ITDB) and Programing Package of Equilibria Caculation for Multiphase and Multicomponent (PPEC) in The Distrbuted Chemical Engineering Library (CLIB) are transfered. The programes Simulate resprectively the equilibria of Chemical Vapour Deposition (CVD) process of two system: Ti-Si-H-Cl, Ti-Fe-H-Cl. The experimental conditions is caculated under which titanium-silicon or titanium-iron intermetallic compounds deposit with different atomic ratio, So is the result of four experimental factors on deposition ratio. It is proved in experiment that: on the condition of LogMTi, g=1, TiSi2 and TiSi intermetallic compounds can deposit in Ti-si-H-Cl system. On the basis of experimental result of former investigator, more precise thermodynamic propertise of titantium-silicon intermetallic compounds have been caculated. The amended reslt coincides with experimental result and cacu lated result. Our experimental and caculated result both prove that: there are two-phase area in the CV phase program of this system. The enery consumption of reduction with hydrogen is far less than enery consumption of melting method to manufacture titantium-silicon intermetallic compounds throgth caculation. The paper also caculates the complex reduction of titanium tetrichlorid and ferric chloride with hydrogen, and complex reduction of titanium tetrichloride and spong iron. The caculated result proves that: Under the experimental condition, iron-titantium intermetallic compound can deposit. Experiment of complex reduction of titanium tetrichloride and spong iron with hydrogen also proves that: On the surface of the porous spong iron, iron-titanium ntermetallic compound can deposit. Complex reducation of complicate chlorides with hydrogen is a effective way to produce alloy or intermetallic compound. It's very important to deeply research into this method for chlorination metallurgy and manufacture of special funcational materials. This method may be a prospective way to production of many funcational materials.
Document Type学位论文
Recommended Citation
GB/T 7714
庞小斌. 氯化物复合氢还原的研究[D]. 中国科学院研究生院,1989.
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