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Considering the energy crisis and environmental requirements for using agricultural waste to produce valuable products is significant. Therefore, the production of bioethanol as a biofuel instead of fossil fuels from sugarcane bagasse using the yeast strain Saccharomyces cerevisiaehas been investigated. To reduce some inhibitions from conventional bioethanol fermentation (CR), improve efficiency, reduce downstream processing, and ultimately make the process more cost-effective, it is essential to simultaneously remove the product (bioethanol) from the broth during its formation. For this purpose, two membrane bioreactors (MBRs) with two types of ethanol-selective poly(dimethyl siloxane) membranes modified with carbon nanotube (PDMS/CNT) and carbon nanotube/graphene oxide (PDMS/CNT-GO) were used. Initially, the response surface methodology (RSM) was used to find the optimal conditions for maximum sugar production through the acid hydrolysis process. Secondly, bioethanol production from the obtained sugar solution was carried out in CR and MBRs. Thirdly, a comparison between these reactors was made. Finally, the growth kinetics were examined. The optimal conditions for acid hydrolysis were found to be a temperature of 199.31 °C, an acid concentration of 1.06%, and a time of 31.68 min. Furthermore, the modification of the PDMS membrane with CNT and CNT/GO against conventional bioreactor has led to an increase in efficiency up to 113.73 and 115.7%, respectively, inside bioreactors. Moreover, bioethanol production increased by 95.52% and 97.3% in the PDMS/CNT and PDMS/CNT-GO membrane bioreactors, respectively. The Monod and Moser kinetic models also demonstrated the great ability and precision of these models to expound the real data in CR and MBRs.