The dissertation is devoted to the solving of an important scientific and practical task of the developing the technical and scientific bases of the technological process of continuous nitration of benzene and toluene by a high-temperature adiabatic method.The first section is devoted to the modern trends and problems of the technology of continuous mononitration of aromatic compounds was considered. Methods for the introduction of nitro groups to the aromatic ring, advances in the physico-chemical bases of the nitration processes in the nitro mixture, the routes of nitration of the aromatic compounds in the nitric acid medium were considered. The comparative regularities of the processes of "classical" nitration (in the continuous stirred-tank reactor ) and high-temperature adiabatic nitration (in the plug flow reactor) have been considered in detail. Their advantages and disadvantages have been analyzed. The main directions of mathematical modeling of nitration processes were considered. The choice of direction of research was substantiated. In the second section, the methods of the calculation and computer experiments were considered. Methods of the simulation of adiabatic nitration including methods of the calculation of the thermal balance of nitration, heat capacity, enthalpy and pressure of water vapor over solutions of sulfuric acid, reaction temperature boiling point, molar enthalpy of the components were described. The third section is devoted to the description of computer models of the stationary process of adiabatic nitration of aromatic compounds. Models allow describing the process of nitration and distillation of a portion of the reactive mass containing water, aromatic hydrocarbons and mononitroproducts. The "soft" computer model (in terms of Lotfi Zadeh) of the high-temperature adiabatic plug-flow reactor of benzene nitration was created. It allows to estimate roughly the time residence to achieve a high degree of transformation in the plug-flow reactor, taking into account the stratification of the reaction emulsion. The model is based on data on the kinetics of heterogeneous nitration in conditions of ideal continuous tank reactor and the parameter characterizing the stratification. His limits are chosen empirically according to experimental data. A simplified cellular model of high-temperature adiabatic nitration was proposed. It based on the assumption of mixing and stratification in each cell and the complete transformation of the emulsion that is not straightened out. The satisfaction of the calculation results with the literature data is shown. Simulation mathematical models were created for the describing the distillation of the "organic-water" mixture from the reaction mixture. The distillation occurs due to the heat of nitration reaction or due to the heat supplied from the outside. The influence of the input technological factors: the molar ratio of benzene - nitric acid, the residual pressure in the system, the temperature of the mass at the input, was revealed. It has been shown that for nitromixtures with relatively high nitrous acid content, the process at a residual pressure can allow the products to be completely transferred to the vapor phase due to the heat of reaction and to obtain the spent sulfuric acid which can be used to prepare the nitro mixture without further strengthening. For diluted nitromixtures it is necessary to bring the heat from the outside. The fourth section is devoted to the development and substantiation of a new paradigm of the organization of technological process of nitration on the basis of the model of material balance of the processes of manufacturing nitro mixture, nitration and local strengthening of sulfuric acid by means of distillation. A distillation model is developed in the form of a system of ordinary differential equations, along with the spline approximation of the experimental dependence of the vapor pressure over aqueous solutions of sulfuric acid, depending on the acid and temperature content. Based on the results of computer experiments over the model, it was proposed to produce the acid mixture for nitrating benzene and toluene on the basis of a weak (56-58%) HNO3 and 80-88% H2SO4, which is obtained by the local concentration of the spent acid. The concept of basic nitro mixture as the maximum concentrated nitro mixture, which leads to spent sulfuric acid with a given factor of nitrating activity, was proposed. This concept is placed in the basis of calculation of technological indicators of the process of making nitro mixture, in particular, the minimum concentration of sulfuric acid. It was shown that from the point of view of heat consumption, the local process of concentration of spent acid to the required working concentration is more advantageous than centralized concentration to 92-96% acid. The fifth section presents a basic technological scheme for the production of aromatic mononitrocompounds in an adiabatic way (for example, nitrobenzene). This scheme is also suitable for the production of other mono-nitro compounds, in particular nitrotoulene. The results of the analysis of technical and economic indicators and the estimation of economic efficiency are presented.
