Synthesising zinc oxide nanoparticles (ZnO-NPs) to get certain characteristics to be applied in Enhanced Oil Recovery (EOR) is still challenging to date. In this work, the importance of high surface area of ZnO nanoparticles as EOR agent was highlighted. A simulation on density of state (DOS), band structure and adsorption energy of hydrogen and nitrogen gases on the surface of ZnO was carried out; it is observed that from the band structure of the band gap value for ZnO is 0.808ev. For the ZnO, Zn 4s states contribute to conduction band and O 2p states contribute to valence band. ZnO-NPs were synthesised using the sol-gel method by dissolving zinc nitrate hexahydrate in nitric acid and varying the stirring time (1 and 24h) and sintering time (30 and 40 min). A microwave oven was used for annealing ZnO without insulating the samples in any casket. The results show that 30 and 40 min of annealing and stirring for 1 & 24 h influenced the morphology and size of ZnO-NPs. These parameters could be tailored to generate a range of nanoparticle morphology (flask and/with agglomerated nanoparticles in a corn shape) obtained by Field Emission Scanning Electron Microscope (FESEM) and hexagonal crystal, determined by X-ray diffractometer (XRD), with the mean size of 70.5 & 74.9 nm and a main growth at the peak (101). The prepared sample via stirring for 24h and sintering for 40 min was chosen to prepare ZnO nanofluid because it has the highest surface area (BET) among the rest of samples, 0.23 m2/g. 10 of Original Oil In Place (OOIP) was recovered successfully to prove that ZnO is a good candidate to be applied in some chemical reactions. Moreover, it was found that ZnO is a promising catalyst for ammonia synthesis based on the adsorption energy of hydrogen and nitrogen gases (-1.05 and -1.60 kcal/mol respectively). © (2014) Trans Tech Publications, Switzerland.