Dear Maysam Molana, it depends on the type of system you are going to simulate. If you are interested in steady state simulations of chemical and/or energy system, I suggest you Thermoflex 24 by Thermoflow Inc. or Aspen 11.1 by Aspentech Inc. If you are interested in transient simulations, I suggest you TRNSYS by Thermal Energy System LLC.
Dear Maysam, I agree with Pouria that it depends on your purpouse. For thermodynamic calculation you can use Coolpack, that is a free of charge software able to simulate different vapour compression system working with different refrigerants.
For modelling refrigeration/AC unit and components performance (energy efficiency, capacity, power input, pull-down, and ambient adapting), you can try our e-Tools available at www.Refriglab.com to size your refrigeration condenser and evaporator air coils (coil tube OD ranging from common 16mm, 12mm, 9.5mm, 8mm to the new 7mm, 5mm, 4mm). At the same website, you can size your coil circuiting/pass number, size your CAP (capillary) tube and accumulator. You can also use the e-Tools to quantify the optimal refrigerant charge amount if you have all components (compressor, air coils, CAP/TEX/EEV, Acc, SLHX) data ready. You have the 39 refrigerants option including R134a/R404a/R290/R600a/HFOs/R410a/R407c and etc..