Mineral dust is an important arena for acid rain formation. Here, p-DFT calculations were conducted to study SO₂ adsorption onto gibbsite and possible catalytic mechanisms for acid rain formation. The obtained results clearly indicated that SO₂ is preferentially adsorbed onto mineral dusts instead of staying in the gas phase, and two catalytic paths were then posed. Path A with first hydrolysis and then oxidation is kinetically preferred, where SO₂ hydrolysis appeared to be the rate-determining step for all the investigated surfaces. Partially dehydrated gibbsite (100) surface has the lowest reaction barrier, and a second water molecule causes acid rain formation to occur facilely at ambient circumstances.

矿物粉尘是形成酸雨的重要场所。在这里，进行p-DFT计算以研究SO ₂在三水铝石上的吸附以及酸雨形成的可能催化机理。所获得的结果清楚地表明，SO ₂优先吸附在矿物粉尘上而不是停留在气相中，然后设置了两条催化路径。在动力学上优选先水解然后氧化的路径A，其中SO ₂水解似乎是所有研究表面的决定速率的步骤。部分脱水的三水铝铁矿（100）表面具有最低的反应势垒，并且第二个水分子导致在周围环境中容易发生酸雨形成。