I think that i can help you with you issue. My MSc thesis was all about that. Please read the following which is part of my thesis:
Airbox Dimensions and boundary conditions
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In order to accurately simulate the behaviour of an antenna in HFSS, an airbox has to be chosen to surround the structure. The dimensions of the airbox can have a large effect on the accuracy of the results. The airbox size must not be too small and must be a certain distance away from any radiating object. Ideally an airbox size should be large, but this will increase the number of finite elements in the solution and also increase computation time. A rule of thumb for selecting the size of an airbox is that all boundaries of an airbox must be at least a quarter wavelength away from the antenna structure. In this example the resonant frequency of 1.3GHz has a quarter wavelength of 57.69 mm. An airbox size was chosen to be 60 mm away from the three sides of the radiating patch which are not connected to the feedline. If the ground plane is large then the airbox only needs to be created above the ground plane since most of the radiation takes place above the ground plane. HFSS requires that airbox boundaries be assigned as radiation surfaces in order that no reflected radiation takes place. The airbox surface which coincides with the ground plane is not selected as a radiation surface.
If you have any questions I will try to answer them and if you want more information please let me know. I hope that helps
George