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用扩展的休克尔(Hükel)分子轨道方法结合矿物的共价(或离子)性质对乙基黄原酸盐在模拟硫化矿和氧化矿上的化学吸附进行了研究。乙基黄原酸根离子对离子型矿物不产生附着,而能够沿共价型矿物的赫姆霍兹(Helmholtz)面吸附。乙基黄原酸根离子与共价型矿物间的化学键随着药剂与矿物表面距离缩短而增强。在矿物表面上毗邻黄原酸根附着的氢离子与黄原酸根离子之间可形成强的键,而氢氧根离子则没有这样作用。吸附在矿物上的氧分子和离解氧分子均为电子接受体,带负电,使矿物的最高被占轨道能级降低。因此,氧的存在使乙基黄原酸根离子在共价型矿物上的吸附更容易。
The chemisorption of ethylxanthate on simulated sulfide ores and oxide ores was studied with the extended Hükel molecular orbital method in combination with the covalent (or ionic) properties of the minerals. Ethylxanthogen ions do not attach to the ionic minerals and can adsorb on the Helmholtz surface of the covalent minerals. The chemical bonds between ethyl xanthogenate and covalent minerals increase as the distance between the agent and the mineral surface decreases. Hydrogen ions attached to the xanthogenate adjacent to the mineral surface form strong bonds with the xanthogenate ions, whereas hydroxyl ions do not. Oxygen molecules adsorbed on minerals and dissociative oxygen molecules are electron acceptors, negatively charged, so that the mineral’s highest occupied orbital energy level decreased. Therefore, the presence of oxygen makes the adsorption of ethyl xanthogen ions more readily on covalent minerals.