The formation mechanism of coal ash minerals in the three typical quasi-east coal processes of burning Tianchi South Mine

Wucaiwan and Yihua was studied at different temperatures by means of tubular furnace test bench. The mineral composition was analyzed by XRD. At 1100℃

there is a large amount of calcium

magnesium and feldspar formation

which is an important mineral in coal ash at 1100℃. The results show that the first step in the formation mechanism of akermanite is the generate of CaSiO3

then it react with MgO to form the akermanite.Based on the experimental results

the formation mechanism of akermanite was reserached by density functional theory at the B3LYP/6-311G++(d

p)

and the kinetic analysis was studied.The results show that the second path during the formation of the wollastonite is easier to carry out

and the decisive step of this reaction is the O atom transfer step of SiO2 after CaO is bonded to SiO2. After that

CaSiO3 is complexed without barrier to form 2CaSiO3 and reactes with MgO

finally forming Ca2MgSi2O7

in this process

the maximum potential barrier occurs in the rotational step of the atoms after the bonding of 2CaSiO3 with MgO.