(1. 中南大學(xué) 資源加工與生物工程學(xué)院，長沙 410083；
2. 長沙礦冶研究院 有限責(zé)任公司，長沙 410012；
3. 武漢理工大學(xué) 資源與環(huán)境工程學(xué)院，武漢 430070)
摘 要: 從常用浮選捕收劑的捕收性能與其結(jié)構(gòu)關(guān)系入手，分析捕收劑分子中極性基、非極性基結(jié)構(gòu)對鐵礦和膠磷礦捕收能力的影響，提出鐵礦反浮選降磷捕收劑分子的設(shè)計構(gòu)想，認為新型捕收劑分子中極性基部分應(yīng)含有磺酸基，非極性基中應(yīng)有不飽和鍵。通過高斯軟件計算得到設(shè)計分子的凈電荷分布、偶極距及前線軌道能量和組成，并與常用捕收劑進行比較，證明設(shè)計得到的捕收劑分子對膠磷礦的捕收能力。從機理分析得出：在特定的pH條件下，該反浮選捕收劑分子與膠磷礦表面的Ca2+發(fā)生螯合作用，形成穩(wěn)定六元環(huán)，從而實現(xiàn)與鐵礦的分離。
關(guān)鍵字: 脫磷捕收劑；分子設(shè)計；浮選機理；鐵礦
（1. School of Minerals Processing and Bioengineering, Central South University, Changsha 410083, China;
2. Changsha Research Institute of Mining and Metallurgy Co., Ltd, Changsha 410012, China;
Abstract:The influences of polar and non-polar groups of collectors on dephosphorization from iron ore were investigated by analyzing the collecting ability and structural relationship of common flotation collectors, and a conceptual design of collector molecular was provided further. The new-type collector molecular contains sulfonic acid ground and non-polar group does not contain unsaturated bond. With the Gaussian computation, the net charge distribution, dipole moment and orbital energy and compositions of the frontier orbital are obtained. The collecting ability of the collector on mineral was proved and molecular structure was optimized by comparing it with the common collector like oleic acid from the perspective of related quantum chemistry parameters derived by Gaussian software. The mechanism analysis resuts show that chelation will happen between the collector and Ca2+ on the surface of collophane under the given pH condition to form a stable six-member circle and separate the dephosphorization from iron ore.
Key words: dephosphorization collector; molecule design; flotation mechanism; iron ore
