Process Modelling

Developing low-rank aromatic-rich hydrocarbons into high-quality anisotropic carbon materials is of great interest and economic potential. Via thermochemical methods, we can convert low-rank coal and waste plastics into a solid intermediate with an anisotropic optical texture called mesophase pitch (MP). Advanced characterization methods including XRD, NMR, MALDI-TOF-MS, GC-MS, DMA, FTIR, and simulation were applied to analyze the reactions and characterize the products. Besides, the process was scale-up from mL scale to L scale for the high-temperature and high-pressure process. Optimization were experimentally and by-simulation carried out to produce MP with high mesophase content and suitable softening points, specially designed for value-added functional carbon fibers applied in aerospace, aircraft, and vehicles.

Research Interests:

My research focuses on developing efficient, atom-economic, and environmentally friendly processes to produce high-value fuels, chemicals, and materials. These processes mainly utilize thermochemical conversion of renewable or low-rank hydrocarbons, including low-rank coals, waste plastics, biomass waste (municipal sludge, corn stover, rice husk, sawdust, human feces, pig manure, kitchen waste, et al.) under solvolysis (organic solvent or supercritical water) pressurized conditions. The overall goal of these processes is to create alternatives to replace conventional petroleum-based liquid fuel and materials. Major areas of my current research include heterogeneous catalytic conversion of municipal sewage into biocrude under subcritical water conditions and utilizing mild solvolysis liquefaction to convert waste plastics and low-rank coal into intermediates of carbon fibers. Contributions in these fields include reactor design and process optimization for high-temperature, high-pressure reactions, materials characterization with various advanced characterization methods, development of data analysis sheets via python and R, and screening of novel solid catalysts via experimental design and machine learning. Also, my current research focuses on the development of reaction pathways, reaction mechanisms, kinetic models, process design and optimization, and techno-economic analysis.

In my future career, I am devoted to developing effective processes to prepare functional carbon materials for environmental and energy applications. Major areas of my research will focus on the application of process intensification, heterogeneous catalysis, and the application of data science and simulations in chemical reactions. I want to use artificial intelligence and molecular dynamic simulation to investigate effective degradation and selective catalytic conversion of biomass under supercritical/subcritical fluid conditions, especially in microreactors.

Representative Publications:

1. Wang, W., Eddings, E*. Evolution of Molecular Composition during the Development of Mesophase Pitch from the Low-rank Coal Liquefaction Asphaltene. (In preparation)
2. Wang, W., Eddings, E*. Determination of the effects of stacking levels of parallel molecular on the development of anisotropic optical texture and the spinnability of anisotropic carbons. (In preparation)
3. Wang, W., Cooley, M., Kirby, R.M., Eddings, E*. Machine learning aided mesophase pitch production with high mesophase content and spinnability with experiment verification. (In preparation)
4. Wang, W., Eddings, E*. Thermochemical co-liquefaction of waste high-density polyethylene (HDPE) plastics and low-rank bituminous coals into an intermediate of manufacturing value-added anisotropic pitch. (In preparation)
5. Wang, W.J., Du, H.B., Zhang, J.L.*, 2022. Machine learning predicts and optimizes hydrothermal liquefaction of microalgae. Chemical Engineering Journal. (under review, IF = 13.273)
6. Wang, W.J., Zhang, J.L.*, 2022. Investigation of the depolymerization process of hydrothermal gasification of microalgae with ReaxFF-MD simulation and DFT computation. Chemosphere. (under review, IF = 7.086)
7. Wang, W.J., Du, H.B., Zhang, J.L*. 2022. Modelling co-gasification of plastic waste and lignin in supercritical water using reactive molecular dynamics simulations. Applied Energy. (under review, IF = 11.446)
8. Wang, W.J., Du, H.B., Huang, Y.Y., Wang, S.B., Liu, C., Li, J., Zhang, J.L.*, Lu, S., Wang, H.S., Meng, H. 2022. Enhance biocrude production from hydrothermal conversion of municipal sewage sludge via co-liquefaction with various model feedstocks. RSC Advances, accepted. (First author, IF =4.036)
9. Du H, Yu Q, Liu G, Li J, Zhang J, Wang W, Duan G, Meng Y, Xie H. 2022. Catalytic deoxygenation of carboxyl compounds in the hydrothermal liquefaction crude bio-oil via in-situ hydrogen supply by CuO-CeO2/γ-Al2O3 catalyst. Fuel, 317, 123367. (IF = 8.035)
10. Wang, S.B., Zeng, F.G., Liu, Y.W., Meng, Y. H., Liu, C., Wang, W.J., Zhang, J.L., Wang, H.S., Du, H.B.*, Li, J. 2022. Preparation and Application of ZrO2-SiO2 Oxide Composite Catalysts for Efficient Biocrude Generation by Hydrothermal Liquefaction of Spirulina. Fuel, 317, 123325. (IF = 8.035)
11. Liu, G., Du, H., Sailikebuli, X., Meng, Y., Liu, Y., Wang, H., Zhang, J., Wang, B., Sadd, M., Li, J., Wang, W*. Evaluation of Storage Stability for Biocrude Derived from Hydrothermal Liquefaction of Microalgae. Energy & Fuels, 35(13), 10623-10629. (Corresponding author, IF = 4.32)
12. Chen, Y., Yin, Z., Wang, W., Zhang, J., Meng, H., Han, W*. 2019. Study on Pretreatment of Microalgae Liquefaction Wastewater by Coagulation-Hydrogen Peroxide Oxidation Combination Method. Jiangsu Agriculture Sciences, 47(4), 227-232. (in Chinese)
13. Tian, W., Liu, R., Wang, W., Yin, Z., Yi, X. 2018. Effect of Operating Conditions on Hydrothermal Liquefaction of Spirulina over Ni/TiO2 Catalyst. Bioresource Technology, 263, 569-575. (IF = 11.889)
14. Wang, W.J., Yang, L., Yin, Z.S., Kong, S.Y., Han, W., Zhang, J.L*. 2018. Catalytic Liquefaction of Human Feces over Ni-Tm/TiO2 Catalyst and the Influence of Operating Conditions on Products. Energy Conversion and Management 157C (2018) 239-245 (First author, IF = 11.533)
15. Wang, W., Xu, Y., Wang, X., Zhang, B., Tian, W., Zhang, J*. 2017. Hydrothermal Liquefaction of Microalgae over Transition Metal Supported TiO2 Catalyst. Bioresource Technology, 250 (Supplement C), 474-480. (First author, IF = 11.889)
16. Wang, W., Yu, Q., Meng, H., Han, W., Li, J., Zhang, J*. 2017. Catalytic Liquefaction of Municipal Sewage Sludge over Transition Metal catalysts in Ethanol-water Co-solvent. Bioresource Technology, 249, 361-367. (First author, IF = 11.889)
17. Wang, W.J., Zhang, S.D., Yu, Q., Lin, Y.T., Yang, N.Z., Han, W., Zhang, J.L*. 2017. Hydrothermal liquefaction of High Protein Microalgae via Clay Material Catalysts. RSC Advances, 7(80), 50794-50801. (First author, IF =4.036)
18. Wang, Y.P., Nan, G., Wang, W.J., Zhang, J.L*., Han, W.*, 2017. Preparation and Application of a New Catalyst to Produce Bio-oil from Microalgae Liquefaction. International Journal of Agricultural & Biological Engineering, 10, 169-175. (IF = 2.032)
19. Zhao, W.J., Han, W., Nan, G., Wang, W.J., Liang, W.H., Zhang, J.L*., 2017. Effect of Solvent Type and Temperature on Biocrude from Hydrothermal Liquefaction of Sewage Sludge. Acta Scientiae Circumstantiae. DOI: 10.13671/j.hjkxxb.2017.0217 (In Chinese, IF = 0.724)