Containment is the ultimate physical barrier to prevent the spread of active air-borne fission products as well as radiation shielding in normal operation as well as accident condition and is designed to enclose whole reactor systems. The design of containment system for Fleet mode of 700 MWe Indian Pressurized Heavy Water Reactors (IPHWRs) incorporates a Primary Containment (PC) of pre-stressed concrete enveloped by a Secondary Containment (SC) of reinforced concrete. For the specification of the design pressure of the containment system, analysis is performed for various postulated accidents such as Loss of Coolant Accident (LOCA) and Main Steam Line Break Accident (MLSB). Further Studies on hydrogen generation and distribution for various accident scenarios in reactor containment of Indian Pressurized Heavy Water Reactors (IPHWR) indicate that during severe accident with core damage, the possibility of global deflagration in absence of mitigating features is high and may challenge the integrity of containment. Therefore, it is essential to incorporate mitigating provisions inside the containment to prevent the hydrogen reaching local detonation and global deflagration during such a scenario.In order to arrive at the design basis of containment system and simulation of large numbers of accident sequence a computer code is required, where mitigating features such as Passive Auto-Catalytic Recombiners, Containment Spray System & Containment Filtered Venting System can be modeled. A system thermal hydraulic computer code has been developed for containment response calculation during normal operation as well as accident conditions including, severe accident to include the new models for mitigating features. This article presents the details of various models of computer code PACSR-SI-2.0, its validation with data observed for hydrogen distribution & removal in Recombiner Test Facility,Battelle Spray Test for containment system & Spray test at IIT Mumbai.