计算与试验结果的对比表明模拟计算方法是可行的。
The comparison between wmputation and experiment shows that the method is practicable.
对含有点缺陷的不完整晶体，通常使用原子簇方法或超原胞模拟计算方法。
For imperfect crystals with point defects, the cluster method and the supercell simulation are two methods in common use.
本文介绍了甲醇洗工艺中部分气化冷凝、绝热闪蒸器和塔系模拟计算方法和结果。
The modelling and calculation results are reported for partial vaporization condensor, adiabatic flashing column and column system in the methanol washing process.
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