Replacing methane (CH 4 ) imprisoned in naturally occurring hydrates by pure or mixed carbon dioxide (CO 2 ) gas is an emergent technique to recover the clean fossil energy as well as to sequestrate the primary global warming-responsible gas. Having deeper insights into the fundamentals of hydrate swapping is the foremost step for advancing this gas replacement technology at a commercial level. This work aims at formulating a rigorous thermo-kinetic model to analyze the guest gas swapping phenomena. Apart from introducing the nth order phase transformation kinetics, a global optimization technique based on the technique for order of preference by similarity to ideal solution (TOPSIS) embedded non-dominated sorting genetic algorithm-II (NSGA-II) is developed for the first time to identify the model parameters and operating conditions of the transient swapping process. To assess the proposed formulation, it is validated with the experimental data of CH 4 −CO 2 and CH 4 −CO 2 /N 2 gas swapping under diverse geographic conditions. Moreover, to evaluate its rigor and versatility, the model is employed in predicting the Ignik Sikumi field data collected from the North Slope of Alaska in 2011−2012 for (CH 4 −CO 2 /N 2 ) swapping. Furthermore, the developed optimization strategy is used to identify the parameters of the existing swapping models as well and it is shown that these models with proposed optimal parameter sets provide better predictions than those with their original parameter values. Finally, it is investigated that the proposed formulation secures a promising performance and consistently outperforms the existing models.