Swelling properties of smectite up to 90℃ In situ X-ray diffraction experiments and molecular dynamic simulations

摘要

X-ray diffraction profiles were observed using aθ-θ type goniometer with a hand-made sample chamber forcontrolling the vapour pressure of H2O up to the saturatedvapour pressure of H2O and temperatures up to 100℃. Theobtained profiles for temperatures of 50, 70 and 90℃ show thenearly stepwise swelling properties at thesetemperatures. The transformation P(H2O) values weredetermined for one to two and two to three layers ofinterlayer water molecules. Using molecular dynamicsimulations the structural and energy propertieswere discussed for swelling behaviours.