论矿物材料计算与设计
Calculation and Design of Mineral Materials
查看参考文献35篇
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文摘
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矿产资源产业是国民经济的基础产业,非金属矿产是重要的固体矿产之一,80%的矿物用于材料工业,矿物加工是矿产资源高效利用、制备矿物材料的重要加工技术环节,矿物材料是国民经济中高新技术材料的重要组成,材料科学及矿物材料学科的发展,为矿物材料计算与设计理论的提出奠定了实际基础.借鉴材料设计与计算的理论和方法,在总结、分析和研究矿物加工及矿物材料制备方面大量的理论研究和实际成果的基础上,提出了矿物材料计算与设计及功能性矿物材料、复合材料化学改性药剂分子设计与模拟的学术思想,论述了矿物材料计算与设计的基本科学技术问题、研究内容、相关学科体系、研究层次及其学科地位.其意义在于:使矿物加工工程学科发展和功能性矿物材料的研发,建立在基本科学原理基础之上,将矿物加工工程学科的主要研究内容统一在总体的方向、目标之内,横向拓展了相关学科理论的研究范围;根据矿物结构、组成,通过设计与计算,对矿物材料性能进行预测、预报,进而为制备提供最佳技术路线;对于已知性能的矿物材料优化制备路线,系统分析各种矿物的结构与组成及其所具备固有性质,针对各种材料性质要求,排列对应关系,为复合材料的制备奠定基础,进而实现矿物资源的高效开发和利用,同时,使得材料设计或计算材料的学科基础向研究矿物组成与结构的纵向延伸,丰富了材料科学思想. |
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其他语种文摘
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Mineral processing is an important technological link of making mineral materials. Because of the maturity of mineral materials discipline and the theory and method for material design and calculation, the theoretical foundation and methodology for mineral materials calculation and design have been established. A large number of scientific research achievements in the field of minerals processing engineering and its related disciplines provide practical possibility and basic preparation for academic thinking of mineral materials calculation and design which include the following aspects: 1 ) Study of minerals structure, composition and properties; 2) Study, manufacturing and preparation of functional mineral materials, powdery materials and mineral/polymer/ metal composite; 3) Study of mathematical models of minerals separation, simulation, optimization, automation, GIMS (Computer Integration Manufacture System) application. In the paper the academic thinking of mineral materials calculation and design, and the design and simulation of chemical agent used to modify the functional mineral composite have been put forward. The basic scientific and technical problems and the contents of the study are as follows: l) At the level of basic theory: construction of theoretical system, mathematical model and computer algorithm of mineral structure and composition constituent and property mineral processing, composing, manufacturing and preparation-mineral materials with special functions" based on quantum mechanics, solid-state physics and other basic theory; 2) At the level of application foundation: establishment of mineral material design expert system and artificial neuron network system through summing up, analyzing and studying the inherent law among the "structure, constituent and property" of materials by means of semi-empirical method, the first principle method, molecular dynamics method, finite element method. Study the relationship among "mineral chemical agent for mineral property modification matrix (such as rubber)"and design three-phase interface for selection, design and manufacture new chemical agents. On the minerals structures, composing and property basis forecast new mineral materials by means of design and calculation, and study the relations of property of composite materials, manufacture functional mineral materials; 3) At the level of applicable technology: its importance lies in: ' According to the special requirement, new products can be developed quickly and economically by means of the theory and method of mineral materials calculation and design. ?According to the special requirement, the automation, large-scale and high reliability of production can be realized by means of CIMS technology, modeling and expert system, which are established during the calculation and design and directly put into the control of production. ?The controllability and availability of the manufacture and preparation process can be realized in order to manufacture and prepare functional mineral materials efficiently. The tasks of the discipline relevant to mineral materials calculation and design are: ? Establishing close links at different stages from mineral exploration to mineral materials application. ?Combining and integrating the discipline of mineral processing engineering with the overall and systematic target. ?Making clear the overall study direction and the concrete target so that the study of mineral materials can be moved forward to the beginning stage of geological exploration and extended backward to the final stage of directly developing functional materials. ?At the same time, the foundation of material design can be extended to the direction of mineral composition and structure, thus the thinking of material science can be enriched. |
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来源
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资源科学
,2005,27(3):167-174 【核心库】
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关键词
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矿产资源
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矿物加工
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矿物材料计算与设计
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材料设计
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分子设计与模拟
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计算材料
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地址
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辽宁工程技术大学, 辽宁, 阜新, 123000
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语种
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中文 |
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文献类型
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研究性论文 |
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ISSN
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1007-7588 |
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学科
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环境保护管理 |
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文献收藏号
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CSCD:1988483
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