The Cretaceous sandstone reservoir in the Kuche Depression, Tarim Basin, western China, was investigated with reference to its reservoir property evolution during diagenesis. Six general diagenetic stages were recognized through petrographic, mineralogical and geochemical analyses. Fluid–rock interaction experiments were conducted under these six continuous diagenetic conditions, that is with a simulation sequence of compaction → early diagenesis → organic acid incursion I → elevated temperature/pressure → organic acid incursion II → late diagenesis. Corresponding to these six experimental stages, a total of six models were constructed. Finally, an extended model of fluid–rock interaction during diagenesis at a geological timescale (from 30 Ma to present) was constructed after various parameters had been validated. Results demonstrate that the diagenetic stages from both the experimental and numerical simulations generally matched findings obtained from the petrographic and geochemical analyses: (i) With compaction becoming weakened, cementation by various minerals was gradually increased. (ii) Quartz overgrowth occurred because the contemporaneous sedimentary water was alkaline. (iii) Most minerals (for example, calcite and feldspar minerals) displayed dissolution owing to the first organic acid incursion, resulting in the visual porosity increasing to 29·26%. (iv) Increases in temperature and pressure caused a minor fluctuation of the porosity change. (v) The cement that formed during earlier stages largely dissolved with the second organic acid incursion. (vi) During the last stage, the reservoir fluid was diluted by sedimentary alkaline water and most minerals precipitated under an alkalic environment. The present porosity simulated is about 11·4%, comparable with the actually measured data. This study demonstrates that the combination of petrographic observations, laboratory experiments and numerical simulations can not only reconstruct the diagenetic process, but also provide a quantitative evaluation and prediction of reservoir petrophysical properties.