Yes / This investigation reports the first study to predict natural gas hydrate formation using both Aspen HYSYS® and HydraFlash software for various gas compositions and thermodynamic inhibitors (monoethylene glycol [MEG] concentrations at 10, 20, 30, and 40 wt.% and methanol concentrations at 10 and 20 wt.%). The simulated predictions are compared with the results of the experimental data in the literature. It has been shown that HydraFlash software can accurately predict hydrate formation conditions for a given industrial case, without having to carry out costly experimental work. This work also evaluated the effect of inhibitors and it appears that inhibitor type and concentration are determined according to condition of gas composition. MEG is consequently selected as the most ideal hydrate inhibitor for the industrial case. This also was confirmed through COSMO-RS studies in which the sigma profile and sigma potential of the considered inhibitors were obtained and presented using density functional (DFT) calculations to verify the hydrogen bonding affinities of the inhibitors to water molecules. HydraFlash was utilized to predict the dissociation conditions of hydrates under the influence of a high concentration of MEG inhibition, reaching up to 40 wt.% at 313 K and a pressure of 311.1 bar. Finally, it is shown that both software packages are quite accurate and useful tools for the prediction of hydrate for simple systems. However, HydraFlash can simulate more complex systems, including different types of salts at higher pressures. Investigation results indicate insightful guidance for accurately predicting hydrate dissociation under simulated conditions. / The authors would also like to thank the Turkish National Agency for offering an Erasmus student grant for Mr. Nejmi Söyler under the Erasmus+ Program Action 1 throughout the training period.