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To study the gas and liquid flow characteristics inside the diaphragm compressor and optimize the structure of the gas and oil chambers to improve the overall reliability of the machine, the CFD method was used to establish fluid models for the gas and oil chambers separately. The velocity and turbulence energy distribution of the gas chamber, as well as the pressure and flow velocity distribution of the oil chamber, were obtained. Various layout schemes for the gas and oil holes were optimized and compared. The results showed that the maximum flow velocity and turbulence energy of the gas chamber for scheme 1 were greater than those of the original design, but both decreased gradually for schemes 1-4. The centering of the distribution hole in the oil chamber had a significant effect on fluid characteristics, and the results from schemes 1-4 indicated that as the hole diameter increased, the maximum flow velocity and pressure gradually decreased. Additionally, under the condition of ensuring that local stresses were not too high, the fourth scheme was the optimal solution for both the gas and oil chambers. The maximum turbulence energy of the gas chamber decreased by 29.1% compared to the initial structure, and the maximum pressure and velocity of the oil chamber decreased by 35.5% and 71.5%, respectively.