The further thermal efficiency improvement of marine natural gas engine is constrained by a knocking phenomenon that commonly occurs in gas-fueled spark-ignited engines. It plays an important role to investigate how the knocking occurs and how to predict it based on the engine simulation model. In this paper, a two-zone model is developed to provide the prediction of knocking performance and NO emission, which is verified by engine test bed data from a transformed marine natural gas spark ignition (SI) engine. Cylindrical division theory is used to describe the shape of the two zones to decrease the computational cost, as well as a basic mechanism for NO concentration calculation. In order to solve the volume balance, three boundary parameters are introduced to determine the initial condition and mass flow between the two zones. Furthermore, boundary parameters' variation and knocking factor (compression ratio and advanced ignition angle) will be discussed under different working conditions. Result shows that the two-zone model has sufficient accuracy in predicting engine performance, NO emission and knocking performance. Both the increasing compression ratio and advanced ignition angle have a promoting effect on knocking probability, knocking timing and knocking intensity. The knocking phenomenon can be avoided in the targeted natural gas SI engine by constraining the compression ratio smaller than 14 and advanced ignition angle later than 30 • before top dead center (BTDC).Energies 2018, 11, 561 2 of 23 Two broad categories of experimental based methods are used to detect the knocking phenomenon in a certain natural gas engine: the former one is based on direct measurement, like an intensified charge coupled detector (ICCD) camera and Laser-induced Fluorescence (LIF) imaging [8,9]; other methods [10,11] are based on indirect measurement such as in-cylinder pressure analysis, cylinder block vibration, exhaust gas temperature, etc. On the other hand, simulation models enable engineers to explore the details comprehensively during the design period in order to determine the best case, saving research time and development cost. In general, numerical simulation of the natural gas engine working process is classified as follows: the mean value model, zero-dimensional model, quasi-dimensional model and multi-dimensional model [12]. The mean value model is not primarily intended for engine development, but it is efficient for integrated system research, thus it is usually based on a large amount of engine test data and has scarcely no ability to predict [13,14]. For knocking prediction simulation models, the main objective is to characterize the end-gas temperature, which has a direct effect on knocking occurring. It is difficult for the zero-dimensional model to achieve this goal since the in-cylinder temperature and species concentrations are assumed to be uniform throughout the cylinder [15]. The multi-dimensional simulation model (or Computational Fluid Dynamics model, CFD) provides most details of in-cylinder para...