Coal to Cleaner Fuels

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1 Coal to Cleaner Fuels Practices and Perspectives Yong-Wang Li Synfuels China LTD Co. National Research Center for Clean Fuels from Coal (NDRC) SKLLC/Chinese Academy of Sciences

2 Background: To See Energy System for Loner Term Coal remains to be major available fossil resources 2050: Even more important due to lack of gas & oil 2100:Science development fully supporting new energy system buildup free of FOSSIL resources?

3 Background: China has to face clean coal buildup NOW Nuclear Wind Hydro ~10% Oil 17.8% Gas ~ 5% Imported oil & Gas Trade balance Supply security Coal 67.2% Cleaner electricity (N,W,H) Sustainable carbon resources Balance the carbon resources is essential for China s energy supply for long term

4 Coal to cleaner products CH 4 (CNG/LNG) Heavy oil Olefin (C 2 /C 3 ) Hydro-Pyrolysis Residue Separation Chemicals Coal H 2 /CO CH 4 CH 3 OH Oil Solvent Gasoline Gasification Purification Conv. SG H 2 /CO Product up-grading Jet fuels Diesel Biomass CH 4 Lubricate Catalytic Gasification Separation & Purification Others Efficient environmental friendly process development

5 Coal to liquids endeavor in China Institute of Coal Chemistry 1938-Japanese Military CAS/Government ICC/Synfuels China Chinese Academy of Science: generations of scientists

6 Synfuels China

7 Synfuels China Synfuels China Research (Taiyuan, Beijing, Netherlands) 250 Synfuels China Engineering (Beijing) 500 Synfuels China Catalyst & Pilot base (Inner Mongolia, Anhui) 200 Synfuels Americans (Virginia-Washington DC, USA) 4 50 Using market force to promote scientific development for sustainable energy solutions R&D: F-T, Fuel processing, heavy oil, fine chem., water handling + fundamental research Engineering: Feed, EPC, site services, commissioning F-T plants Pilot plant testing of new technologies Catalyst production: Iron F-T catalyst, sufur-free hydrotreatment catalysts, FCC catalyst for F-T syncrude cracking, Pt-reforming catalysts, fine chem. catalysts

8 Productivity g C 3+ /g/h MTFT: New generation of synthesis technology Co/Fe Fixed Co/Fe slurry Fe Fluidized Fe MTFT 5.3 m ID demo reactor Verifying integration strategy Energy efficiency 42% (2014) Net profit since 2010

9 MTFT: Operation performance CH 4 (wt%) 4 CH 4 selectivity TOS/h C5+(wt%) C3+(wt%) C3+&C5+ selectivity TOS/h

10 Research capability XRD, MES, XPS/UPS/LEED/AES Raman, EPR, STM/AFM, LEED RAISE, SEM, TEM, Fixed/slurry/fluidized bed THE, micro-reactors Massive reaction tests Quantum mechanics Crystal structure searching Detailed mechanism Macro-structure Atomic structure Theoretical study Catalyst design Au(111) Fe x C y Fe(111) 100 Å x 100 Å, -1.1 na, -1.5 mv

11 Kinetic modeling Single event : Transition theory, Structure information in k-parameters, Ab-initio energetics k k T B h Transition State Theory S exp R Statistical Thermo S 0 = S o rot + S trans + S vib + S el S rot = S rot - R ln gl H exp RT o o S Intrinsic & Symmetry contribution o gl, r S symm R ln gl, Effect of structure S 0 rot sym R ˆo o gl kt B S k exp R exp H gl h RT n e Number of single events From quantum chem. k = n e A ~ Single event frequency factor A ~ Evans-Polanyi 1 per type of elem.step - H exp RT

12 Selectivity mol/mol Kinetic modeling

13 F-T reactor simulation Convention models + CFD 0.35m5.8m 9.6~10.5m Catalyst Small bubbles Large bubbles Cooling tubes

14 F-T reactor scale-up Laboratory 1.0L Pilot plant 0.3m ID Demo-plant ~5. m ID Large-scale ~10 m ID

15 Process integration Dry gas LPG Hydrogenation 3.60% Hydrocracking 4.01% Isomerization LPG Naphtha Diesel CO+H 2 C 5 -C % Base oil C 11 -C % C % Oxy 4.0% 42-47% FCC Reforming Etherification Alkylation COD Isomerization LPG Gasoline Jet fuel Diesel Chemicals F-T process loop;diesel process;refinery for gasoline

16 Integration: Gasification 4000t/d dry feed gasifier Second stage conversion Waste-water recycling Dry powder pump From normal p50 bar Feeding power saving 70% Cost down 15%

17 Projects Ningxia Shenhua 4 million t/a 2017 Changzhi Luan 1 million t/a 2015 Yitai 2 million t/a 2017 Yili 1 million 2016 Guizhou 2 million t/a Feed Erdos 1 million t/a Feed East Inner Mongolia Feasibility Mongolia 2 projects Feasibility USA project Feasibility done Poland project Feasibility Middle east GTL Feasibility Africa GTL Feasibility

18 Invest for the future 设备投资 :4.2 亿元 220 人, 博士 :60 人,50 研究生 =36000 m 2

19 Open lab in Beijing Fe FTS catalyst testing & characterization Existing program at Synfuels China Planar Model Catalysts Synchrotron studies, XPS, ATR-IR; TEM, etc J.W. Niemantsverdriet, Professor Physical Chemistry of Surfaces, Eindhoven University of Technology, Netherlands. Editor, Journal of Catalysis, member of the Editorial Boards ofapplied Surface Science, PCCP Fe FTS Catalysts in Action Research Program Molecular Modeling DFT & ab initio MD Existing program at Synfuels China Surface Science on Fe x C y thin films for validation of calculations + activity New on program sustainable hydrogen New COprogram 2 avoidance? 开放的基础研究环境 : 1. 基金支撑 扩大合作 国际科学文化交融 2. 实验室 : 一流硬件条件 + 量子力学计算优势 3. 国际相容科学研究环境带动 培养国内学术环境和年轻人 洪堡基金模式 1. 国际教授 万 Euro/ 年 2. 博士后 5-6 万 Euro/ 年公开优选课题 材料相关的物质结构研究 过渡能源体系 可持续能源体系

20 Open lab in Beijing 1. 硬件 : (1) STM/XPS/UPS/TPD/AFM system, RAIRS-STM VT/AFM TPD system, TPD/LEED/AES,TALOS F200A (2) Preparation reaction equipment 2. 人力资源 : 高级研发 人 + 管理 技术支撑 5-6 人 不少于 35% 外籍雇员 Prof. J.W. Niemantsverdriet, Head of Lab Jan Karel Felderhof HR Management Mr Antonio Vaccaro Managing Assistant, Advisors of Research: Senior Researchers Dr Jens R Rostrup- Nielsen, Denmark Prof. Michael Bowker, Cardiff University Dr Gilbere Mannie (NL, University of ARHUS) Dr Jose Gracia (Span, TUe) Dr Westrate Kees -Jan (NL, TUe) Technician: Dr Ajin V. Cheruvathur Dr Shuli Yin Dr Vedran Jovic (Universty of Auckland (NZL)) Dr Kortmann, Felix (Germany, Universty of Groningen (NL)) Dr Fleischmann Samuel David (USA, University of California, Santa Barbara) Dr Liu, Xi (Cardiff Catalysis Institute, Cardiff University) Dr Su, Ren (inano, Århus University (DK)) Dr Jiao, Yunzhe (University of Rochester (USA))

21 我们的事业, 能源的未来 Our Expertise, Energy in Future