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Thoroughly utilizing the first principles of chemical processes, industrial big data, and artificial intelligence algorithms has been a deterministic trend in process modeling technology. However, the complexity of reaction networks triggers austere challenges to the deeper understanding of hybrid modeling techniques. Herein, this study explores a universal framework that integrates artificial intelligence algorithms and process mechanisms. The concept of "transparent AI-assisted chemical processes" is proposed. This study meticulously explains how to build a database integrating process big data and reaction network data. Based on the established machine learning framework incorporating process big data and mechanisms, multi-objective optimization algorithms are combined to achieve process optimization. The results indicate that the comprehensive dimensions of the optimized process's technical performance, economic performance, and environmental impact have energetically upgraded. Compared to the pre-optimization process, the optimized process's conversion rate and high-value product yield have increased by 4.44% and 4.25%, respectively. Moreover, the optimized process's non-renewable energy consumption and greenhouse gas emissions decreased by 6.23% and 12.60%, respectively. This study employed the transparent AI-assisted chemical engineering process to achieve machine learning modeling and multi-objective optimization by integrating process data and molecular-level reaction mechanisms. [Display omitted] • A novel concept of "transparent AI-assisted chemical processes" is proposed. • The integrated molecular-level coupled with fraction structure modeling strategy is proposed. • The multi-objective optimization strategies using systematic MOJAYA algorithm are performed. • The optimized process shows excellent environment and economy feature. [ABSTRACT FROM AUTHOR]

Waste plastics catalytic cracking, a carbon-negative process from the life cycle perspective, is a forceful executable configuration for cyclic utilization in the ecology. However, industrializing this emerging process requires to prevail a series of challenges, including time-consuming and massive pilot tests, process strengthening, and parameter optimization. To accelerate industrialization, we developed a fraction-structure lumps reaction model that significantly improves efficiency and accuracy. Moreover, multi-objective optimization and multi-dimensional evaluation were further done by implementing this process model. Together, a subsequent assessment of society and the environment was carried out. Compared with the non-optimized process, the optimized waste plastic catalytic cracking process exhibits superior economic, social, and environmental performance. The final optimization results of the reaction temperature and catalyst/oil ratio are 564.27 and 25.95, respectively. Quantitative results of this study indicate that catalytic cracking of waste plastics can effectively reduce the emissions of 1.86 t CO 2 eq/t feedstocks. For the 200,000-ton scale waste plastic catalytic cracking process constructed, it can effectively reduce 372,000 tons of carbon dioxide equivalent emissions annually. From the view of life cycle society-environment behavior, it can be intuitively seen that the primary energy consumption of the WPCC-Pro process optimized based on the same functional units (considering social and environmental factors) is better than that of the WPCC process. [Display omitted] • The fraction-structure lumps reaction model of waste plastic catalytic cracking is proposed. • The many-objective optimization framework is employed. • The waste plastic catalytic cracking-pro process exhibits excellent life cycle performance. [ABSTRACT FROM AUTHOR]

Achieving direct catalytic cracking of crude oil to produce low-cost petrochemicals is a milestone technology for the transformation of refinery from "fuel type" to "chemical engineering type". Herein, we first established the crude oil catalytic cracking process and identified the key process parameters affecting ethylene and propylene yields. Meanwhile, the crude oil direct steam cracking process was selected as a comparative process for the process economic, social and environmental performance by an improved life cycle society-environment assessment method. The improvement direction, suitable preheating temperature and higher cracking temperature, are given from the aspect of process though systematic integration and intensification. Results show the conversion rate of the catalytic cracking process is 86.10%, while the steam cracking process is only 76.71%. Furthermore, the utilization efficiency of carbon and hydrogen in the catalytic cracking process is 1.29 and 1.47 times higher than the steam cracking process, respectively. As for the society-economic performance, the catalytic cracking process provides up to 65% and 11% increase in net present value and total output value. As for the environmental performance, the catalytic cracking process consumes approximately 4% less non-renewable energy and has 31% less waste water generation. The results in this study harbour tremendous guiding significance to the design of crude oil directly efficient conversion to petrochemicals. With fuel consumption expected to wane, crude-to-chemicals complexes could dominate the petrochemical industry in the future. As a promising process for industrial application, direct catalytic cracking of crude oil has attracted many scientific institutions and companies to invest in the research wave. However, there have been widely differing versions on the performance of direct steam cracking and catalytic cracking processes from the perspective of techno-economy, society and environment. Based on the industrial and pilot-test data, this paper constructs process models for crude-to-chemicals, and gives a clear and quantitative answer to the performance of economic and carbon emission from the perspective of society-environment. [Display omitted] • Direct steam cracking and catalytic cracking of crude oil processes are simulated. • An improved life cycle society-environment assessment method is adopted. • The economic and environment performance of two processes are compared quantitatively. • The crude oil catalytic cracking process exhibits superior performance. [ABSTRACT FROM AUTHOR]

This study introduces a universality methodology to achieve the jumped chemical output of crude oil via one-step leaping over regular routes using the patented two-segment lift tube reactor. The integrated molecular-level modeling as well as many-objective optimization framework for crude oil direct hydrogenation coupled with a catalytic cracking reaction process using the two-segment lift tube reactor (CDHC) is also performed. Consequently, the CDHC process could solidly transform hydrotreated sulfur oil to chemicals with the sum of yields over 43 wt%. The non-renewable energy consumption of the optimized CDHC process decreased by 5.00%, the greenhouse gas emissions decreased by 4.09%, and the number of potential jobs available increased by 9.35%. This shows the leading technique, economics, livelihood, society, and environment character. The insights provided in this study may strongly promote the conceptual process design, engineering intensification together with many-objective optimization of oil direct hydrotreating coupled with catalytic cracking. This work developed the jumped chemical output of crude oil via one-step leaping over regular routes, an integrated molecular-level modeling strategy and a many-objective optimization framework. [Display omitted] [ABSTRACT FROM AUTHOR]

The Belt and Road Initiative proposed by China is a common aspiration of all countries along their routes to achieve sustainable development of the environment, economy, society, and people's livelihood. Recently, prominently raised CO 2 concentration in the Belt and Road region is perceived to give rise to these serious greenhouse effects on severe and sustained global warming. It could lead to related climate instability, adverse natural disasters, glacier melting, and extreme weather patterns. CO 2 -enhanced oil recovery (CO 2 -EOR) is one of the essential CCU technologies. Due to lacking sustainable quantitative evaluation of CCU technology widely used in promising industries, it is imperative to conduct process simulation and optimization evaluation of CCU technology. Considering the lack of sustainable quantitative evaluation of CO 2 -EOR, we proposed a multi-objective optimization and sustainable quantitative assessment to provide insights and enhance the separation of produced gas and CO 2 capture for CO 2 -EOR. Their industrial applications before and after optimization were systematically simulated, discussed, and compared. With unremitting efforts, the optimized CO 2 capture process can stably separate oil field-produced gas into pure CO 2 and oilfield light hydrocarbons, with a mass content of CO 2 over 99.7 wt%. The optimized process demonstrated outstanding technical, economic, social, livelihood, and environmental properties. This study will undoubtedly benefit researchers in related fields of CCU process simulation, promote significant breakthroughs in basic research, superstructure, and commercial applications, and provide a perspective for the Belt and Road Initiative to establish better and optimize CCU devices and realize regional and global cooperation, future scientific and industrial progress. [Display omitted] • The first proposed simulation enhances the separation of produced gas and CO 2 capture for oil recovery. • Detailed process models, original simulation files, and detailed modeling steps are performed. • Life cycle optimization strategies using BAB methods are carried out from multi-dimension. • The optimized process has superior techno-economic-society-livelihood-environment property. [ABSTRACT FROM AUTHOR]

The Belt and Road Initiative proposed by China is a common aspiration of all countries along their routes to achieve sustainable development of the environment, economy, society, and people's livelihood. Recently, prominently raised CO 2 concentration in the Belt and Road region is perceived to give rise to these serious greenhouse effects on severe and sustained global warming. It could lead to related climate instability, adverse natural disasters, glacier melting, and extreme weather patterns. CO 2 -enhanced oil recovery (CO 2 -EOR) is one of the essential CCU technologies. Due to lacking sustainable quantitative evaluation of CCU technology widely used in promising industries, it is imperative to conduct process simulation and optimization evaluation of CCU technology. Considering the lack of sustainable quantitative evaluation of CO 2 -EOR, we proposed a multi-objective optimization and sustainable quantitative assessment to provide insights and enhance the separation of produced gas and CO 2 capture for CO 2 -EOR. Their industrial applications before and after optimization were systematically simulated, discussed, and compared. With unremitting efforts, the optimized CO 2 capture process can stably separate oil field-produced gas into pure CO 2 and oilfield light hydrocarbons, with a mass content of CO 2 over 99.7 wt%. The optimized process demonstrated outstanding technical, economic, social, livelihood, and environmental properties. This study will undoubtedly benefit researchers in related fields of CCU process simulation, promote significant breakthroughs in basic research, superstructure, and commercial applications, and provide a perspective for the Belt and Road Initiative to establish better and optimize CCU devices and realize regional and global cooperation, future scientific and industrial progress. [Display omitted] • The first proposed simulation enhances the separation of produced gas and CO 2 capture for oil recovery. • Detailed process models, original simulation files, and detailed modeling steps are performed. • Life cycle optimization strategies using BAB methods are carried out from multi-dimension. • The optimized process has superior techno-economic-society-livelihood-environment property. [ABSTRACT FROM AUTHOR]

This paper discusses the application of construction demolition waste (CDW) in the field of backfill mining as an efficient way of increasing the CDW utilization rate. But much of the research on cemented paste backfill (CPB) with the CDW has been conducted in the laboratory which cannot accurately explain the spatial differentiation characteristics and mechanism of onsite CPB. To this end, this study uses fractal theory, image processing, and scanning electron microscopy (SEM) to analyze the spatial stratified heterogeneity (SSH) of recycled aggregates and the mechanical properties of the CPB under the natural flow of slurry. The spatial distribution mechanism of the CPB's performances is also explained. The results indicate that the compressive strength reaches a maximum of 4.07 MPa on the top of the upper segment and a minimum of 1.6 MPa on the bottom of the upper segment, with a mean value of 2.4 MPa in the whole tunnel. This satisfies the requirements of field applications. The maximum and minimum mean particle sizes appear on the bottom of the upper segment and the lower segments of the tunnel, and the multifractal parameters are shown to indirectly reflect the distribution of recycled aggregate size. According to the test results of sampling point, the spatial distribution of CPB's strength and recycled aggregate along the flow direction of slurry are regressed, allowing the tunnel to be divided into five distinct regions. Finally, the PSD of recycled aggregates and microstructures has a profound impact on the mechanical properties of CPB, but the motion characteristics of the recycled aggregates are the main reason for the SSH of the CPB properties. Image 105 • The spatial stratified heterogeneity of CPB's strength and aggregate size is studied. • The mean compressive strength of CPB is beyond the threshold of field applications. • The particle size distribution of aggregates can be interpreted by fractal parameters. • The spatial distribution mechanism of the CPB's performances is explained. [ABSTRACT FROM AUTHOR]