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Macromolecular Chemistry: The Second Century Opening Keynote Session:  
07:00am - 09:40am USA / Canada - Pacific - April 5, 2021
Timothy Lodge, Organizer; Krzysztof Matyjaszewski, Organizer; Alvin Collins, Presider
Track: [MPPG] Multidisciplinary Program Planning Group
Division/Committee: [MPPG] Multidisciplinary Program Planning Group
Monday
Introductory Remarks
07:00am - 07:05am USA / Canada - Pacific - April 5, 2021
Track: [MPPG] Multidisciplinary Program Planning Group

Monday
Supramolecular polymerization: Its significance and applications
07:05am - 07:55am USA / Canada - Pacific - April 5, 2021
Takuzo Aida, Presenter
Track: [MPPG] Multidisciplinary Program Planning Group
About a century ago, Dr. Staudinger substantiated the existence of ultralong molecules and won the long-term debate against the colloidal theory to establish polymer science. Needless to say, polymer science has made tremendous contributions to the progress of human society, although it coincidentally brought about a critical environmental issue to tackle. In this lecture, I would like to present the significance and applications of supramolecular polymerization, a modernized version of the colloidal approach to polymeric materials. Supramolecular polymers attract attention not only because they are 100% recyclable but also they can be designed to be eco-friendly, self-healable, responsive, and adaptive [1–4]. In 1988, we reported the prototype of supramolecular polymerization using an amphiphilic porphyrin with water-soluble oligoether side chains as the monomer and have made fundamental contributions to this field. Representative examples include (1) nanotubular supramolecular polymerization, (2) chain-growth supramolecular polymerization, (3) supramolecular block copolymerization, (4) stereoselective supramolecular polymerization, and (5) thermally bisignate supramolecular polymerization. These contributions are integral elements of conventional polymer science, filling in the critical gap between supramolecular and conventional polymerizations. Furthermore, we have expanded the basic concept of supramolecular polymerization into the noncovalent design of innovative soft materials. Successful examples include the developments of (i) bucky gels, (ii) aquamaterials, (iii) mechanically robust self-healable materials, (iv) supramolecular polymers of biomolecular machines, (v) ferroelectric columnar liquid crystals, and (vi) reorganizable and adaptive core-shell columnar liquid crystals. I will highlight some of these examples to show the significance of supramolecular polymerization for the realization of sustainable society.

Monday
Polymer networks as synthetic extracellular matrices: Biology in the 4th dimension
07:55am - 08:45am USA / Canada - Pacific - April 5, 2021
Kristi Anseth, Presenter
Track: [MPPG] Multidisciplinary Program Planning Group
Our group is interested in the development of macromolecular monomers that can be reacted into crosslinked polymer networks in the presence of living cells and tissues. From a fundamental perspective, we seek to decipher the critical extracellular matrix (ECM) signals that are relevant for tissue development, regeneration, and disease and then design polymeric materials that integrate these signals. From an applied perspective, we use this knowledge to design materials that can promote tissue regeneration and wound healing in vivo. This talk will illustrate our recent efforts towards the synthesis of hydrogel networks for 4D cell culture and regenerative medicine, and how one can dynamically control biochemical and biophysical properties through orthogonal, photochemical click reaction mechanisms. Some specific examples will include the design of hydrogels that promote musculoskeletal tissue regeneration, super-swelling matrices to visualize cell-matrix interactions with unprecedented resolution, and materials-directed growth of organoids from single stem cells. These efforts will then be placed in the context of designing precision biomaterials to address demands for patient specific products and treatments.
Monday
Neofossils: bio-based plastics to sequester CO2
08:45am - 09:35am USA / Canada - Pacific - April 5, 2021
Track: [MPPG] Multidisciplinary Program Planning Group
The news is full of the evils of plastic. But plastic can’t be evil, it’s inanimate. It’s plastic abuse that is morally wrong. In the 100 years since the macromolecular hypothesis we have produced more than 8 billion tons of the stuff vilified as “plastic”. The ingenuity of polymer scientists & engineers, plus the ubiquity and variety of polymers, mean they are completely embedded in our lives. But the very properties of plastics that make them so useful, they are durable & cheap, also means that they almost worthless post-use, expensive to recycle & easy to discard.

We need to focus on delivering a circular economy for polymers, whether they are derived from fossil carbon or more recent biomass. A systems-based, multidisciplinary approach can solve the problem of plastics in the environment through a combination of reuse, repurposing & recycling. Bio-based & compostable plastics are not inherently sustainable because their production can cause more greenhouse gas emissions than the fossil-based plastics they replace. Moreover, the fate of a compostable plastic is conversion back into CO2 & water. Bio-based plastics can only become truly sustainable when produced using renewable energy, not the current energy mix of >80% fossil. Life cycle assessment can identify the tipping point, as the energy system defossilises, when making durable bio-based plastics for a circular economy makes sense.

The Intergovernmental Panel on Climate Change (IPCC) has a 1.5 °C target with a commitment to the removal of 12 billion tons of CO2 per year, >25% of current emissions, yet there are no scaleable technologies to do this. Herein lies an opportunity for the next 100 years of polymer science. We could use durable (i.e. nondegradable) bio-sourced plastics to sequester carbon. Making polymers from photosynthetic biomass takes CO2 out of the atmosphere and we could bury that plastic. In fact, if we converted all the current 300 million tonnes of annual plastic production to non-degradable bioplastics, using 100% renewable energy and agricultural waste as the feedstock, we would be able to remove a billion tonnes of CO2 from the atmosphere every year.

Negative carbon emissions from plastic production and consumption would mean we become heroes again. We could put that new plastic down the holes we got the fossilised carbon out of in the first place – wouldn’t that be sweet!

Monday
Concluding Remarks
09:35am - 09:40am USA / Canada - Pacific - April 5, 2021
Track: [MPPG] Multidisciplinary Program Planning Group

C1 Catalysis:  
01:00pm - 04:00pm USA / Canada - Pacific - April 5, 2021
Ashraf Abedin, Organizer, Presider; Jingguang Chen, Organizer; James Spivey, Organizer, Presider
Track: [ENFL] Division of Energy and Fuels
Division/Committee: [ENFL] Division of Energy and Fuels

The symposium will focus on the catalytic conversion, activation, and surface reactions of C1 compounds. Topics include, but are not limited to: 1) Syngas Conversion/production; 2) Methane Activation/reforming/homologation; 3) CO2 Conversion/utilization; 4) Hydroformylation; 5) Water-gas shift, methanation; 6) Fischer-Tropsch; 7) Computational/experimental studies; 8) In-situ/operando spectroscopy. Keynote Speakers include: 1) Dr. Jose Rodriguez, Senior Chemist, Catalysis: Reactivity and Structure Group, Chemistry Division, Brookhaven National Laboratory, Upton, NY. 2) Prof. Tao Zhang, Chair Professor, State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, China. Participants will be invited submit a paper to Catalysis Today. Papers are subject to the peer review process.

Monday
Fundamental studies on novel metal/oxide systems for C1 catalysis
01:00pm - 01:30pm USA / Canada - Pacific - April 5, 2021
Track: [ENFL] Division of Energy and Fuels
The electronic properties of Ni and Pt nanoparticles deposited on CeO2 have been examined using core and valence photoemission. The results of valence photoemission point to a new type of metal-support interaction which produces large electronic perturbations for small Ni and Pt particles in contact with ceria. The Ni/CeO2 and Pt/CeO2 systems exhibited a density of metal d states near the Fermi level that was much smaller than that expected for bulk metallic Ni or Pt. The large electronic perturbations seen for small Ni and Pt particles in contact with ceria significantly enhanced the ability of the admetal to adsorb and dissociate methane and CO2. Ni/CeO2 and Pt/CeO2 were able to activate methane at room temperature and were excellent catalysts for methane dry reforming or the conversion of methane into methanol. The behaviour seen for the Ni/CeO2 and Pt/CeO2 systems illustrates the positive effects derived from electronic metal-support interactions and points to a promising approach for improving or optimizing the performance of metal/oxide catalysts in C1 catalysis.
Monday
Methane to methanol conversion facilitated by transition-metal methyl and methoxy units: Cases of FeCH3+ and FeOCH3+
01:30pm - 01:45pm USA / Canada - Pacific - April 5, 2021
Track: [ENFL] Division of Energy and Fuels
In this project, we have studied a complete catalytic cycle for Methane to Methanol (MTM) transformation by using quantum mechanical tools. Our proposed catalytic cycle comprises of three stages, namely C-H bond activation, oxidation and isomerization. Metal methoxide cation (CH3OFe+) has been used as a catalyst to activate C-H bond transforming methane to methanol. Then an oxidant (N2O) has been used to oxidize the metal to form metal oxide followed by an isomerization reaction that reproduces CH3OFe+ to complete the catalytic cycle. More importantly, this catalytic pathway suppresses other side reactions. We have employed high level ab initio electronic structure theories such as Multi Reference Configuration Interaction, Coupled Cluster and Density Functional Theorem calculations to construct the energy landscape for the complete catalytic cycle. It has been found that multi-reference calculations are necessary to capture the complicated nature of the system. And in the future, this research will be expanded further by studying the effects of different ligands in this system.
Monday
Identification of the roles of Mn and W in the oxidative coupling of methane using well-defined catalysts
01:45pm - 02:00pm USA / Canada - Pacific - April 5, 2021
Track: [ENFL] Division of Energy and Fuels
The oxidative coupling of methane (OCM) is among the most studied reaction for methane upgrading in the past four decades. Although the OCM reaction is exergonic, the maximum C2 product yield has been limited to <30% yield largely due to combustions issue. Among the hundreds of reported catalysts, Li/MgO, La-based, and Mn/Na2WO4/SiO2 catalysts exhibit the highest OCM performance. High C2 yield and excellent long-term stability have been reported on the Mn/Na2WO4/SiO2 catalyst. However, because of the structural complexity, the roles of each component in the catalyst have been controversial, which hinders the rational design of OCM catalyst with improved performance.

In this work, WOx and MnOx sites were grafted on well-defined Na2Ti5O11 nanowires and employed in OCM studies. Compared to the commonly used silica support, Na2Ti5O11 exhibit superior intrinsic thermal stability and facilitates straightforward structural characterizations such as advanced electron microscopy. MnW/ Na2Ti5O11 inherits high activity from Mn/ Na2Ti5O11 and high C2 selectivity from W/ Na2Ti5O11, clearly demonstrating the synergistic effect between WOx and MnOx sites. The catalytic performance of the MnW/ Na2Ti5O11 is similar to that of a standard reference catalyst, Na2WO4-MnOx/SiO2, suggesting that these nanowire-based catalysts can be employed as model catalysts for studying the synergistic effect between MnOx and WOx sites.

Monday
Interfacial active sites for CO2-assisted selective cleavage of C–C/C–H bonds in ethane
02:00pm - 02:15pm USA / Canada - Pacific - April 5, 2021
Track: [ENFL] Division of Energy and Fuels
Recently, simultaneously upgrading the greenhouse gas CO2 and underutilized ethane has introduced opportunities for synthesizing value-added industrial feedstocks. Depending on the selective bond cleavage in ethane, syngas (CO and H2) or ethylene can be produced via the dry reforming (C–C bond scission) and oxidative dehydrogenation (C–H bond scission) pathways, respectively. However, it remains challenging to identify and develop active sites responsible for the selective bond cleavage in ethane due to the structural and mechanistic complexities over supported catalysts. Herein, the ethane-CO2 reaction over CeO2-supported catalysts was investigated to unravel the functions of distinct interfacial sites by combining kinetic measurements with in situ characterization and theoretical calculations: the Pd/CeOx interface is responsible for supplying reactive oxygen species; electron-deficient oxygen species on Pd surface boosts the non-selective bond scission to produce syngas; electron-enriched oxygen in the FeOx/Pd interface enhances the selective scission of the C–H bond to yield ethylene. This work identifies opportunities for using different interfacial structures in selectively upgrading abundant shale gas while mitigating greenhouse gas CO2.
<b>Figure 1.</b> Yield of C<sub>2</sub>H<sub>4</sub> and CO over different CeO<sub>2</sub>-supported catalysts at 873 K and atmospheric pressure.

Figure 1. Yield of C2H4 and CO over different CeO2-supported catalysts at 873 K and atmospheric pressure.

<b>Figure 2.</b> Bader charge analysis of oxygen and contours of charge density on different representative configurations.

Figure 2. Bader charge analysis of oxygen and contours of charge density on different representative configurations.


Monday
Direct CO2 hydrogenation to methanol is attractive because methanol finds many applications and is used as a precursor in chemical industry. Recently, In2O3 was discovered as a selective catalyst for methanol synthesis owing to its ability to have surface oxygen vacancy for CO2 adsorption and activation. However, absolute methanol yield is not satisfactory over pure In2O3 due to low CO2 conversion. Promotion of In2O3 with metal oxides or noble metals can enhance the formation of oxygen vacancy and hydrogen dissociation ability. Here, we report doping of In2O3 with transition metals from groups 8, 9 and 10 of the periodic table to increase its activity for methanol synthesis. Rh was most effective for achieving higher methanol yields without reduction in selectivity. Rh loading of 0.96 wt. % was sufficient to achieve methanol yield as high as 1.0 gMeOH h−1 gcat−1. Rh was atomically dispersed in the In2O3 matrix after doping and remained stable during reaction through a charge transfer from partially reduced In2O3 to Rh atoms. Oxygen vacancies were formed beside surface Rh atoms owing to their reduction which promoted strong CO2 chemisorption with the help of neighboring In atoms. Presence of Rh at the active site enhanced the hydrogenation of chemisorbed CO2 leading to the formation of formate species. Therefore, Rh plays an important role in CO2 hydrogenation along with increasing H2 dissociation and oxygen vacancy creation over In2O3. Our results show that the interface of Rh and In, formed by atomic dispersion of Rh, shows improved affinity for CO2 adsorption and hydrogenation to methanol.
Illustrative summary of CO<sub>2</sub> hydrogenation to methanol over atomically dispersed Rh doped In<sub>2</sub>O<sub>3</sub> catalyst

Illustrative summary of CO2 hydrogenation to methanol over atomically dispersed Rh doped In2O3 catalyst


Monday
Au-catalyzed one-pot hydrogenation of CO2 from air in water
02:30pm - 02:45pm USA / Canada - Pacific - April 5, 2021
Track: [ENFL] Division of Energy and Fuels
Given the increasing level of CO2 in the atmosphere and the rapid exploitation of fossil fuels, it is favourable to incorporate the ambient air as a CO2 source with tandem conversion processes to realize the capture and utilization of CO2. This work presents a one-pot two-step process to convert CO2 into C1 products in water with an 80% yield, catalyzed by a novel Au(0) catalyst: Au nanoparticles supported by mesoporous silica nanobeads. In the presence of Lewis acids and the Au(0) catalyst, amine-captured CO2 is hydrogenated to methanol, formate, and formamide in the absence of organic solvents. The mechanistic study featuring isotope labelling suggests that methanol production in the catalytic process is due to the direct hydrogenation of formate. The Au(0) catalyst can be reused four times without purification or reactivation or loss of catalytic activity. Most importantly, this process can generate C1 products from various carbon sources including the direct use of ambient CO2, providing inspiration for utilizing direct air capture (DAC) to synthesize value-added products.
Monday
Increased availability of light hydrocarbons from shale gas raises the interest of methane, the main component of natural gas, as a C1 feedstock for the chemical industry. Copper-exchanged zeolite have been attracted a great attention due to their activity in the selective oxidation of methane at temperature below 200 C. Among the variety of zeolite topologies, MOR with its specific structure of straight 12-MR channel with intersecting 8-MR side pockets have shown high methanol productivity. Dimeric and trimeric Cu-oxo species with Al pairs at the 8-MR side pockets of MOR have shown to be the most favorable active sites in Cu-MOR. Recently, Dyballa et al. reported an increased activity of methane oxidation in the presence of higher concentrations of extraframework aluminum (EFAl) on Cu-MOR. However, the exact nature of this interaction of EFAl with active Cu species, and the mechanism of this activity enhancement is still not known. In this talk, I will present structural properties and composition of active sites of Cu-Al-oxo clusters on Cu-MOR obtained from ab initio molecular dynamics (AIMD), simulated ensemble averaged Cu K- and L3-edge X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) spectra using AIMD trajectories along with experimental results. This talk will demonstrate the critical importance of including both statistic and dynamic configurational complexity in our models for interpreting XAS spectra.
Monday
Withdrawn
03:00pm - 03:15pm USA / Canada - Pacific - April 5, 2021
Track: [ENFL] Division of Energy and Fuels

Monday
Reactive separations of CO2 with high atom and energy efficiency
03:15pm - 03:30pm USA / Canada - Pacific - April 5, 2021
Track: [ENFL] Division of Energy and Fuels
Carbon capture at its core is among the biggest and most complex chemical separations due to challenge of how to selectively remove what is best described as a kinetically and thermodynamically inert molecule (CO2) from dilute and complex gas mixtures. The United States Department of Energy (DOE) has recently prioritized utilization of CO2 by recycling it into fuels and chemicals. While CO2 is abundant, the energy and capital costs associated with capturing, purifying and compressing it are not free. In this presentation, we describe an integrated approach that couples the capture and catalytic conversion of CO2 captured in carbon capture solvents with the aim of designing more energy and atom-efficient reactive separations to produce low-carbon fuels and chemicals such as methane or methanol with high atom and energy efficiency. This approach marginalizes the costs of disparate processes of capture and conversion by using the capture infrastructure, i.e. solvent for both processes. Further, this approach is far more efficient as it avoids the energetics with compression of CO2, and partially offsets the endothermicity of the release of CO2 from the capture solvent with the exothermicity of hydrogenating CO2 with hydrogen. We describe here, results from a multi-disciplinary research approach that assesses the coupling of a separation, and the subsequent conversion of CO2 that is captured in solution. We conclude with a discussion of the energetics and economics of CO2 capture and conversion in carbon capture solvents into low carbon fuels.
Monday
Iron carbides catalyst in the synthesis of ethanol via esters hydrogenation
03:30pm - 03:45pm USA / Canada - Pacific - April 5, 2021
Track: [ENFL] Division of Energy and Fuels
Ethanol production via hydrogenation of dimethyl oxalate (DMO) from syngas gains wide attention because of its great industrial potential. Our previous work found that Fe5C2 can catalyze DMO hydrogenation to ethanol through a different cascade reaction path with methyl acetate (MA) as intermediate. Nevertheless, the insufficient activity for MA hydrogenation made it quite a challenge to further increase ethanol yield. In this work, a CMK-3 supported Fe catalyst (Fe/CMK-3) was found to have much higher activity for ethanol synthesis via DMO hydrogenation. An ethanol selectivity of 97.6% and a space time yield of 1004 gEtOH kgcat-1 h-1 were achieved on the Fe/CMK-3 catalyst. According to the XRD, TEM and MES results, Fe2C phase was confirmed to play a key role in the efficient synthesis of ethanol. The turnover frequency (TOF) for the further hydrogenation of MA proved the higher intrinsic activity of Fe2C than Fe5C2, which might be attributed to the stronger adsorption of MA on Fe2C.

Monday
Tuning CO2 hydrogenation pathways via Ni-ceria support interactions and Ni-Fe bimetallic formation
03:45pm - 04:00pm USA / Canada - Pacific - April 5, 2021
Track: [ENFL] Division of Energy and Fuels
Conversion of CO2 to CO, which can be further upgraded using Fischer-Tropsch or methanol synthesis, represents a promising strategy for offsetting CO2 emissions using H2 generated by renewable energy.1 During thermocatalytic CO2 reduction by H2, low loading of Ni/CeO2 provides high selectivity to CO over CH4, while higher Ni loading improves CO2 hydrogenation activity but reduces CO selectivity. In situ XANES and AP-XPS reveal Ni to be metallic for all catalysts, suggesting that the selectivity trend is due to structural rather than oxidation state effects. Isotope studies using C18O2 with time-resolved in situ FTIR spectroscopy and pulsed mass spectrometry reveal that oxygen exchange with the CeO2 support occurs beyond the surface layer. The results suggest that H2 dissociation by metallic Ni promotes C-O bond breaking in CO2 adsorbed on reduced ceria and that oxygen vacancies are filled by oxygen from the adsorbed CO2.2 Bimetallic Ni-Fe catalysts improve the CO selectivity without significantly compromising activity, synergizing the high activity of Ni catalysts and the high CO selectivity of Fe. TPR results reveal bimetallic interactions between Ni and Fe, and XANES analysis shows that the majority of Fe in the bimetallic catalysts is oxidized.3 The trends in bimetallic modification and support effects should guide efforts to develop non-precious metal catalysts for the selective production of CO from CO2 hydrogenation.
Oxygen exchange with CeO<sub>2</sub> occurs beyond the surface layer during CO<sub>2</sub> hydrogenation.

Oxygen exchange with CeO2 occurs beyond the surface layer during CO2 hydrogenation.

Bimetallic Ni-Fe catalysts enhance CO selectivity while maintaining high CO<sub>2</sub> hydrogenation activity.

Bimetallic Ni-Fe catalysts enhance CO selectivity while maintaining high CO2 hydrogenation activity.


C1 Catalysis:  
05:00pm - 08:00pm USA / Canada - Pacific - April 5, 2021
Ashraf Abedin, Organizer, Presider; Jingguang Chen, Organizer, Presider; James Spivey, Organizer
Track: [ENFL] Division of Energy and Fuels
Division/Committee: [ENFL] Division of Energy and Fuels

The symposium will focus on the catalytic conversion, activation, and surface reactions of C1 compounds. Topics include, but are not limited to: 1) Syngas Conversion/production; 2) Methane Activation/reforming/homologation; 3) CO2 Conversion/utilization; 4) Hydroformylation; 5) Water-gas shift, methanation; 6) Fischer-Tropsch; 7) Computational/experimental studies; 8) In-situ/operando spectroscopy. Keynote Speakers include: 1) Dr. Jose Rodriguez, Senior Chemist, Catalysis: Reactivity and Structure Group, Chemistry Division, Brookhaven National Laboratory, Upton, NY. 2) Prof. Tao Zhang, Chair Professor, State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, China. Participants will be invited submit a paper to Catalysis Today. Papers are subject to the peer review process.

Monday
Single-atom catalysis toward efficient CO2 conversion
05:00pm - 05:30pm USA / Canada - Pacific - April 5, 2021
Track: [ENFL] Division of Energy and Fuels
Simply yet powerfully, single-atom catalysts (SACs) with atomically dispersed metal active centers on supports have witnessed a growing interest in a wide range of catalytic reactions. As a specific example, SACs have exhibited distinctive performances in CO2 chemical conversions. The unique structures of SACs are appealing for adsorptive activation of CO2 molecules, transfer of intermediates from support to active metal sites, and production of desirable products in CO2 conversion. In this talk, I will exemplify our recent endeavors in the development of SACs toward CO2 conversions in thermal- and electro- catalysis [1-4]. In terms of the support not only stabilizing but also working collaboratively with the single active sites, the proper choice of support is of great importance for its stability, activity and selectivity in single atom catalysis. With a set of high-resolution, spectroscopic and in-situ technique characterizations, we disclose the details about the structural geometry of these SACs, and tentatively shed light on how these catalysts work for CO2 transformation. The concept of single-atom catalysis may even help realize the ultimate goal of transforming CO2 into valuable products by using heterogeneous catalysts at mild conditions.
Monday
Thermocatalytic decomposition (TCD) of methane offers a promising approach for COx-free production of H2. Techno-economic analysis suggests that TCD can become competitive with state-of-the-art steam methane reforming, if high-value, crystalline carbon co-products are generated to reduce the net cost of H2 production. Different transition metal-supported catalysts, especially Ni-based, have been investigated for TCD reaction. However, carefully controlled studies evaluating the effect of systematic changes in catalyst properties on catalytic performance is lacking. As a result, direct correlation between catalyst properties, such as Ni(0) particle size, for example, and its effect on TCD activity, stability, and carbon selectivity have not been reported, to the best of our knowledge. Here we report on a series of Al2O3-based and MgAl2O4-based catalysts, Ni/Al2O3 aerogel, Ni/γ-Al2O3, Ni-Al2O3 spinel and Ni/MgAl2O4 for the TCD reaction. Surface and structural properties of the fresh reduced and spent catalysts were investigated by performing nitrogen physisorption, H2-chemisorption, XRD, H2-temperature programmed reduction (H2-TPR) and transmission electron microscopy (TEM). Crystalline properties and morphologies of carbon by-products were identified by temperature programmed oxidation (TPO), Raman spectroscopy, and TEM. We report how initial methane turnover increases as Ni(0) particle size increases, without influence of catalyst support. Furthermore, we show how catalytic deactivation rates decrease with an increase in Ni(0) particle size, which is in agreement with literature reports. Moreover, large Ni particles (>20 nm) were found to be highly selective to the formation of carbon nanotubes, whereas small Ni particles (<10 nm) favored formation of graphitic layers of carbon. Resulting carbon product morphology also influences catalyst stability. The formation of graphitic carbon layers block access to Ni active sites, thus rendering the catalyst inactive more quickly than when CNTs were produced. Additionally, the catalyst deactivation observed with time-on-stream is due to the fragmentation of Ni particles into smaller Ni particles followed by their encapsulation with graphitic carbon layers. Taken together, these results show how under systematic investigation the Ni(0) particle size dictates both i) methane turnover, and ii) carbon product selectivity, which also influences catalytic stability.
Monday
Identifying quantitative descriptors of CH4 selectivity for CO2 hydrogenation over Ni-based spinel catalysts
05:45pm - 06:00pm USA / Canada - Pacific - April 5, 2021
Dr. Kai Feng, Presenter; Jiaming Tian; Binhang Yan, Presenter
Track: [ENFL] Division of Energy and Fuels

CO2 reduction with green H2 is an attractive way to produce fuels or chemicals. CO and CH4 are the main products for CO2 hydrogenation under atmospheric pressure while CH3OH and C2+ hydrocarbons/alcohols can be produced at high pressure. Unveiling the origin of tunable CO and CH4 selectivity is very important to rationally design CO2 hydrogenation catalysts as there are a lot of similarities between the atmospheric-pressure and high-pressure reactions in the reaction mechanism of CO2 hydrogenation. Here, a unique doping-segregation method based on Ni-based spinel is developed to precisely control the size of supported Ni nanoparticles from 1 nm to 12 nm, which strongly affects the product selectivity for CO2 hydrogenation reactions. Based on the in-situ diffuse reflection infrared Fourier transform spectroscopy (DRIFTS) combined with transient response experiments, the reverse water-gas shift (RWGS) followed by H2-assisted CO dissociation and hydrogenation pathway is determined as the primary pathway for CO2 hydrogenation over Ni-based spinel catalysts. The activation energy of the rate-determining step (i.e., H2-assisted CO dissociation) and the activation temperature of CO in a hydrogen atmosphere are then identified as quantitative descriptors of CO2 hydrogenation selectivity. The generality of these descriptors is also demonstrated over various Ni-supported catalysts including Ni/SiO2, Ni/ZrO2, Ni/CeO2, and Ni/Al2O3. These results will guide the design of superior catalysts with a desired selectivity and bring new insight into Sabatier's principle for better understanding of the structure-performance relationship in heterogeneous catalysis.
<b>Figure 1</b> <b>Descriptor identification for CO<sub>2</sub> hydrogenation selectivity</b> (a) CO signal of CO hydrogenation TPSR, and (b) the plot of CO activation temperature and as a function of CH<sub>4</sub> selectivity for CO<sub>2</sub> hydrogenation over Ni-based catalysts

Figure 1 Descriptor identification for CO2 hydrogenation selectivity (a) CO signal of CO hydrogenation TPSR, and (b) the plot of CO activation temperature and as a function of CH4 selectivity for CO2 hydrogenation over Ni-based catalysts


Monday
Bimetallic Ru-based alloy nanoparticles: Unraveling the effects of In and Ga addition on methanol synthesis from CO2
06:00pm - 06:15pm USA / Canada - Pacific - April 5, 2021
Track: [ENFL] Division of Energy and Fuels

Carbon dioxide (CO2) hydrogenation has continued to receive significant attention as an effective route to recycle CO2 into usable products, such as methane, CO and methanol. CO2 hydrogenation to methane has the lowest Gibbs free energy below 500 oC and is the most feasible pathway among the three products from a thermodynamic perspective. However, methanol is a more valuable platform chemical and can also serve as a hydrogen storage medium. Yet, the identification of new catalyst compositions that avoid methane formation while maximizing methanol yields during CO2 hydrogenation remains a significant challenge.

Ruthenium is one of the most active and selective catalysts for CO2 methanation. Efforts to modulate the selectivity of Ru-based catalysts for methanol synthesis have been made through the development of homogeneous, molecular catalysts; however, these catalysts often suffer from limited thermal stabilities and difficulties separating from the product to reuse/recycle. An alternative approach is through the formation of a bimetallic alloy, which alters the catalyst performance through electronic and geometric effects. Such an approach has been successful with In-Pd alloys that prohibits the CO methanation pathway.

In this study, we evaluated In-Ru alloys for liquid phase CO2 hydrogenation. Our work showcases that incorporation of indium promotes methanol selectivity to over 90%, and it prohibits methane production at 200 oC where pure Ru produced 97% methane and Ga-Ru alloy produced mainly CO. In addition, we performed diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) experiments, CO TPR, H2-D2 exchange as well as formic acid hydrogenation studies. These experiments provide further insight into the role of In in tuning the interaction between surface species (formate, CO and hydrogen) and surface sites, leading to better methanol selectivity than pure Ru and Ga-Ru alloy.

Monday
Highly selective conversion of CO2 to Chemicals and fuels
06:15pm - 06:30pm USA / Canada - Pacific - April 5, 2021
Peng Gao, Presenter
Track: [ENFL] Division of Energy and Fuels
With the assistance of hydrogen (H2) originated directly from renewable energy (solar, wind, biomass, etc), the conversion of CO2 to value-added products not only facilitates greenhouse gas reduction but also produces commodity chemicals that can be used either as fuels or as precursors in many industrial processes. I will introduce our recent development on thermal-catalytic hydrogenation of CO2 to methanol and value-added C2+ hydrocarbons (olefins, gasoline, aromatics and son on).
Although methanol synthesis via CO hydrogenation has been industrialized, CO2 hydrogenation to methanol still confronts great obstacles of low methanol selectivity and poor stability, particularly for supported metal catalysts under industrial conditions. For our catalyst system, the Cu particles were partly embedded in the remaining metal oxide matrix, resulting in close interfacial contact of Cu particles and continuously Cu-depleted oxide. Therefore, Cu/ZnO/Al2O3/ZrO2 catalyst derived from HTlcs kept a constant methanol synthesis activity over 4000 h. Very recently, we designed new type indium oxide catalysts, which can achieve methanol selectivity of up to 85 to 95% with CO2 single-pass conversion of more than 10% even at high reaction temperature (>280 oC).
For CO2 hydrogenation to hydrocarbons, we designed bifunctional catalysts by combining components for methanol synthesis with zeolites for the methanol-to-hydrocarbon process to realize the direct one-step production of hydrocarbons from CO2 hydrogenation, which resulted in a significant breakthrough in the synthesis of isoparaffins, olefins and aromatics. By using bifunctional catalysts composed of oxides and zeolites, the selectivities of liquid hydrocarbons, aromatics and lower olefins are up to 80%, 75% and 85%, respectively, with a very low methane selectivity (<2%) at CO2 conversion above 15%. We also fabricated a highly effective composite catalyst containing a Na-modified spinel oxide ZnFeOx, which shows considerable olefins selectivity (up to 72%, including 34.8% C2-4= and 35.4% C5-11=), and a hierarchical nanocrystalline HZSM-5 zeolite for selective conversion of CO2 into isoparaffins and aromatics. This catalyst displays high liquid hydrocarbons and aromatics selectivity with high CO2 conversion (~40%). The outstanding yields of liquid hydrocarbons (up to 32%) and aromatics (up to 29%) are achieved.

Monday
Tailoring activity of oxygen carriers: Critical role of the interface of support and active metal oxide
06:30pm - 06:45pm USA / Canada - Pacific - April 5, 2021
Track: [ENFL] Division of Energy and Fuels
Chemical looping combustion (CLC) is an energy conversion technology capable of producing energy from fossil fuels while capturing CO2. The technology is based on using a metal oxide as an oxygen carrier (OC), which undergoes cyclic oxidation and reduction operations. The performance of OCs can be enhanced by the support on which they are deposited.
In this work, we investigate and compare the synergetic effect of two different supports of TiO2 and MgO on the NiO oxygen carrier reduction reaction with H2 by periodic density functional theory (DFT) calculations. Not only the synergetic effect of support but also the oxygen vacancy-support interactions are considered in this study.
Reactivity of OC is affected by the addition of support, as the surface charge distribution of the OC that undergoes the reduction reaction is controlled by charge transfer between metal oxide and support. Oxygen vacancy formation energy is also affected by the addition of support and charge transfer at the interface. This charge transfer is proportional to the difference between the electronegativity (the Fermi level relative position) of the support and metal oxide. A more electron enriched or deficient reaction site can change the energetics of the reaction. In this work, a more by adding TiO2 support, the positively charged surface of NiO enhances the reduction reaction as a result of higher electron donation by H2 to the surface. This behavior is also observed by the addition of MgO support to NiO. However, the different nature of these supports and the difference in charge transfer at the interface causes different changes in the energetics of the reaction.
An in-depth understanding of the effect of support is carried out by analyzing the Bader charge and DOS analysis of the system, which can help us for the selection of appropriate support.

Monday
Cobalt catalysts are widely studied to produce fuel-grade long chain hydrocarbons through the Fischer-Tropsch synthesis (FTS). In this work, mesoporous titanosilicate supports were synthesized using a surfactant-free process and impregnated with cobalt (15 wt.%) using incipient wetness impregnation. The catalysts were promoted with 1 mol.% noble metal (Ag, Pt, Ru) and different concentrations of Mn (5, 10, 20 mol.%). The dispersion of cobalt increased from 4.9 % to 6.6-7.1 % with the addition of promoters. The reduction behavior of the catalysts were studied using TPR and XANES. The addition of Ag and Mn decreased the temperature required to reduce the catalyst by 34 °C (Figure). The extent of reduction between the different catalysts at 400 °C was comparable among all the tested catalysts. The FTS activity of the catalysts were studied in a fixed-bed reactor at 220 °C, 250 psi, 2000 h-1 and H2/CO = 2. The addition of noble metal promoters increased the CO conversion by 5-11 % while also increasing the CH4 (~3) and CO2 (~7.5%) selectivities. Furthermore, the Pt-promoted catalysts underwent deactivation at a rate of 0.07 %/h compared to 0.03 %/h for Ag-promoted catalyst. The addition of Mn increased the C5+ selectivity by ~5 % while reducing CH4 selectivity by ~6.2 %. The addition of both Ag and Mn to the catalyst had a synergistic effect on the catalyst performance. The catalyst with composition Co:Mn:Ag = 100:10:1 possessed both the lowest deactivation rate and highest C5+ selectivity. The reaction parameters (temperature, pressure, GHSV) of this catalyst were optimized using Box-Behnken method. The optimal reaction conditions were found to be 219 °C, 300 psi and 1800 h-1. The time-on-stream activity of the catalyst was tested for 400 h under these reaction conditions. The catalyst showed a starting CO conversion of 87 % with a deactivation rate of 0.02 °C/h. The catalyst was regenerated at 500 °C under flowing air and showed a CO conversion of 85.6 %.
Reduction behavior of promoted and unpromoted catalysts

Reduction behavior of promoted and unpromoted catalysts


Monday
Withdrawn
07:00pm - 07:15pm USA / Canada - Pacific - April 5, 2021
Track: [ENFL] Division of Energy and Fuels

Monday
The structural properties of Mn-Na2WO4/SiO2-type catalysts and the reaction mechanism for controlling the oxidative coupling of methane (OCM) have been studied since 1980s but the roles of Na, Mn, and W, and their synergistic effects in the catalytic system are not understood in great detail. In this work, the role of each component in oxygen and methane activation, as well as selective and nonselective reaction pathways, have been investigated using transient kinetic techniques.
Of the prepared samples listed in Figure 1A, Mn/SiO2 showed the lowest oxygen activation energy, Ea(O2), which demonstrates the important role of Mn in promoting oxygen activation. The result of CH4/D2 co-pulsing experiments suggests that both CH3 and CH2 are the CH4 activation intermediate products (Figure 1B). Monoxo species were measured as the main oxygen species. Na and W alone do not provide active sites for oxygen and methane activation. The synergistic effect between Na and W was observed on the 5%Na2WO4/SiO2 sample in both lowering the Ea(O2) and more active towards CH4 activation. Samples with Mn loading onto Na2WO4/SiO2 further lowered the observed Ea(O2). Moreover, the activity of CH4 activation was also clearly enhanced. The result of CH4/D2 co-pulsing experiments suggests that CH3 is the main CH4 activation product (Figure 1B). The dioxo species was predominant over samples of Mn-Na2WO4/SiO2 and 5%Na2WO4/SiO2. By combining the results of Ea(O2), methane activation intermediates, and types of surface oxygen species, it is suggested that the dioxo species were the active oxygen species for OCM reaction leading to C2+3 formation.
Steady state studies were found to support the conclusions derived from transient kinetic studies. From both methods we conclude that new active sites were formed by combination of Na and W which were responsible for both of methane activation and oxygen activation. Impregnation of Mn into Na2WO4/SiO2 further lowered the Ea(O2) and provided more active and selective sites for OCM reaction.
Figure 1. (A) oxygen activation energy measured over component metal oxides added to SiO<sub>2</sub>, (B) isotopic methane formation during CH<sub>4</sub> and D<sub>2</sub>  copulsing experiments

Figure 1. (A) oxygen activation energy measured over component metal oxides added to SiO2, (B) isotopic methane formation during CH4 and D2 copulsing experiments


Monday
Probing active sites for room temperature CO2 dissociation on Cu/TiO2 using infrared spectroscopy
07:30pm - 07:45pm USA / Canada - Pacific - April 5, 2021
Track: [ENFL] Division of Energy and Fuels
In situ infrared spectroscopy in combination with isotope labeling was employed to probe active sites for CO2 dissociation at room temperature on Cu/TiO2 surfaces containing oxygen vacancies and highly dispersed copper sites. Our observations indicate that CO, produced from either the dissociation of CO2 or the oxidation of surface carbon residue, initially adsorbs on the oxygen vacancies. Competitive adsorption of water molecules on the oxygen vacancies eventually promotes migration of the adsorbed CO to the copper sites. In comparison, the presence of gaseous CO2 inhibits such migration by competitive adsorption on the copper sites. Our results provide new insights regarding spontaneous CO2 dissociation at room temperature on catalytic surfaces containing oxygen vacancies.
Monday
Deactivation mechanism for dimethyl ether carbonylation: Elucidating the role of Brønsted acid sites within different channels
07:45pm - 08:00pm USA / Canada - Pacific - April 5, 2021
Track: [ENFL] Division of Energy and Fuels
Microporous zeolites as solid acid catalysts are indispensable in petroleum industry, methanol to olefin (MTO) and fine-chemical synthesis etc. The considerable Brønsted acidity and well-defined micro-porosity contribute to great performance. But meanwhile, the steric constrains and strong acidity inevitably result in coking, which poisons active sites and block the diffusion pathways, hindering the industrialization of zeolites. Carbonylation of dimethyl ether (DME) to methyl acetate is a key step for a new eco-friendly route of ethanol synthesis from syngas. Mordenite (H-MOR) has been applied for catalyzing DME carbonylation in industry because of extremely high selectivity and considerable activity. However, it suffers rapid deactivation due to coke deposits, which are generally accepted to occur at Brønsted acid sites (BAS) in twelve-membered ring (12-MR). But contradictory deactivation behaviors in some cases inspire us to reveal the deactivation mechanism in DME carbonylation.
In this work, we mainly focus on dissecting the role of BAS at eight-membered ring (B8-MR) and B12-MR of MOR in deactivation. The concentration of BAS in different channels were precisely modulated. Based on speculated mechanism of deactivation, in-situ FTIR, GC-MS, TPO-MS etc. were applied to determine the predominant deactivation pathway during the early-stage of DME carbonylation, in which ketene or its derivates were evidenced as the main coke intermediates. Further kinetic studies established the specific roles of Brønsted acid sites especially acidity in 8-MR. This new insight into the deactivation mechanism will provide inspirations for further design and modification of robust zeolite catalysts associated with carbonylation reaction.

Division/Committee: [SCHB] Division of Small Chemical Businesses

Reforming and refining chemistry education, tackling unemployment, creating jobs in the chemical enterprises, and defining entrepreneurial initiatives is a prominent area of international interest and one that SCHB is involved in for the betterment of the community. Significant programs in entrepreneurship education, stimulation, and propagation, assist members with broadening their chemistry based entrepreneurial ideas to stimulate job growth within the chemical enterprise. We will discuss new strategic partnerships and make existing resources more accessible to members to advance entrepreneurship and create new job opportunities throughout the chemical enterprise.

Tuesday
Introductory Remarks
09:00am - 09:05am USA / Canada - Pacific - April 6, 2021
Track: [SCHB] Division of Small Chemical Businesses

Tuesday
Creating world class institutions of higher education in Indian context: Research, innovation and etrepreneurship
09:05am - 09:25am USA / Canada - Pacific - April 6, 2021
Ganapati D Yadav, Presenter
Track: [SCHB] Division of Small Chemical Businesses
Universities are harbingers of creation of new knowledge; the teaching must be student centric; and the programs should be job oriented in changing world economic scenario and entrepreneurship focused. Innovation should guide University education measured against international yardsticks. In particular the Western World is the best example of spirit of innovation in the university system. Game changing ideas have arisen out of research labs of professors who not only produce high quality science but start companies with their collaborating students and post-docs. Some of these have become multi-billion dollar industries. The best examples could be found in the Gene town and Silicon valley in the USA and a few universities in Israel. What makes them click? Can Intellectual Property Rights (IPR) generated by academics be valorized in the developing world, for instance? The Indian government has taken up many programs to support academics and students which will help in meeting the target of USD 5 trillion by 2024. In the case of the Institute of Chemical Technology (ICT) Mumbai, a sporadic growth in industrial connectivity took place during last decade due to a change in policy. Several patents were filed and acquired. Student entrepreneurs were promoted. The spirit of innovation was brought by having new programs wherein 2 years industrial experience was made mandatory in a five year integrated Masters degree program, trimester pattern with alternate term in industry, with an idea of start-up companies based on research during the fifth year. This keynote will give an in-depth analysis of valorization of IPR.
Role of innovation in GDP growth in the USA, China and India

Role of innovation in GDP growth in the USA, China and India


Tuesday
Archival degraders as aids to efficient biopolishing agents in textiles
09:25am - 09:45am USA / Canada - Pacific - April 6, 2021
Track: [SCHB] Division of Small Chemical Businesses
Innovation and Entrepreneurship are required for academics to reach out to industry to / solve. the industry’s problems. Biotechnological interventions in textile processing using enzymes are a win-win situation for the environment as well as the economy. Enzymes not only reduce the production time, harsh chemicals, energy and water but also are safer for the employer and the environment. The challenge is however optimizing and sustaining the activity of these enzymes deployed as biopolishing agents. The additives and stabilizers used in the biofinishing formulations at times affect the structure of the fabric.

We present and showcase here a unique source of cellulase, one of the prime players of biopolishing formulations and compare its performance with commercially available formulations. This enzyme that was sourced and characterized from an archival degrading bacterium proved to outperform the existing players. This only goes to show the bioprospecting potential that is wating to be tapped and used for the benefit of mankind. Our work represents a green and sustainable step in textile industry. Academia / Industry collaborations will pave the way for a successful outcome.

Tuesday
Entrepreneurship driven commercialization of products in developing countries: The India example
09:45am - 10:05am USA / Canada - Pacific - April 6, 2021
Track: [SCHB] Division of Small Chemical Businesses

Developing countries like India pose unique issues and problems associated with research and development of innovative products . Many researchers are still dependent on Government and other avenues for funding for research. This leads to incomplete or partial research which is intellectually proficient but cannot be readily commercialized. This presentation talks about identifying market gaps and working on products which can be commercialized readily. It also provides pointers to stepwise research wherein commercial products can be offered at each intermediate stage to help in ploughing back part of the revenue to continue towards next step. We have identified the gaps, especially in the Healthcare segment. We have a product that has been successfully commercialized and a pipeline of products which we have began commercializing.

Tuesday
The need for and importance of a board of directors
10:05am - 10:25am USA / Canada - Pacific - April 6, 2021
James Skinner, Presenter
Track: [SCHB] Division of Small Chemical Businesses
Newly founded companies need many things from funding to experienced talent. It is critically important that the need for experienced talent be addressed early as the ability to raise funds and move the company forward with professional oversight be addressed early. For these reasons, the company needs a Board of Directors, preferably from inception, but, certainly, as early as possible. This session will address the importance of a Board of Directors, the role of the Board, the differences between a Board of Directors and a Board of Advisors, in addition to the recruiting of Board members, Board structure, subcommittees, and Board compensation.
Tuesday
To HMB or Not to HMB: Fascinating aspects of a career in planning, implementing, and building companies
10:25am - 10:45am USA / Canada - Pacific - April 6, 2021
Douglas Toth, Presenter
Track: [SCHB] Division of Small Chemical Businesses

Presented herein are personal perspectives gleaned from over 25 years of experience in planning, implementing, and building companies spanning the gamut from finance, land development and biotech. Outstanding leadership and demonstrated track record of improving financial performance, optimizing productivity, and implementing internal controls were instrumental in launching a new company that promises to be a game changer in the scientifically designed functional water space. From scientific research and development to a consumer’s hands-Listen to the story of Nirvana.

Tuesday
Startup of chemical manufacturing ventures in the USA
10:45am - 11:05am USA / Canada - Pacific - April 6, 2021
Track: [SCHB] Division of Small Chemical Businesses
The impact of SARS-CoV-2 on small businesses and new ventures in the US has been profound and in some ways unpredictable. This presentation will highlight important chemically-related elements of two new ventures. The first of these is starting a new business focused on products containing cannabidiol. Such a business is heavily regulated at both the State and Federal levels, thus incurring a myriad of considerations for both startup and interstate commerce. A second discussion will illustrate how COVID-19 has highlighted the issues and critic
Tuesday
Innovation-driven pharmaceutical process chemistry for rebuilding API manufacturing
11:05am - 11:25am USA / Canada - Pacific - April 6, 2021
Mukund Chorghade, Presenter
Track: [SCHB] Division of Small Chemical Businesses
Over the past two decades, manufacturers of active pharmaceutical ingredients (API) in the USA, India and Europe largely moved manufacturing to China for cost advantages and current US bulk drug supply relies heavily on these sites (>95%). During the COVID-19 pandemic, this reliance exposed vulnerabilities in the supply chain for critical medicines in the United States and in many other countries around the world, negatively impacting national security, public health, and the pharmaceutical industry. Further, the presence of carcinogenic impurities in several drugs has imposed extra risks to patients via exposure to toxins and to manufacturers via removal of the essential medicines from the market. We present herein our efforts to develop cost-effective and environmentally friendly routes for manufacturing API/intermediates. Current manufacturing of APIs/intermediates primarily utilizes old processes established over two to three decades ago. Our focus is on innovation to develop scalable, proprietary and cost-effective processes leveraging novel technologies and to enable global manufacturing to be competitive. We leverage innovation and novel technologies to develop proprietary, cost-competitive, and environmentally-friendly processes for manufacturing high-value pharmaceutical intermediates and APIs in the United States.
Tuesday
Imagine a world where everyone can make molecules
11:25am - 12:00pm USA / Canada - Pacific - April 6, 2021
Martin Burke, Presenter
Track: [SCHB] Division of Small Chemical Businesses
Toolmaking made us human, and over the last 2 million years we’ve gotten pretty good at it. But we’ve only been intentionally making tools on the molecular scale for about 200 years. And currently only a tiny fraction of a fraction of people can meaningfully participate in the molecular innovation process. Consider that many of the most important challenges facing society today likely have molecular solutions that await discovery. Then imagine the impact we could achieve together if everybody could make molecules. The eighteenth and nineteenth centuries marked a sweeping transition from manual to automated toolmaking on the macroscopic scale. This democratized the process, powerfully enabled creativity, and sparked a period of unmatched human innovation that helped drive the Industrial Revolution. During the same time period, the first manual synthesis of organic molecules was achieved. Now, two centuries later, we are poised for an analogous transition from a small number of highly trained specialists crafting molecular targets by hand to a broad range of non-specialists, including potentially billions of citizen scientists, making many different types of molecules with the push of a button. Such molecules could help solve many of the major challenges facing our society: increasing human healthspan, harnessing green energy, and achieving sustainable manufacturing, just to name a few. This talk will describe some recent advances that have opened a path towards democratized molecular innovation, including Lego-like molecular synthesis, 3D printers for molecules, Molecule Maker Labs, Dolphin Tanks, and the exploding interface between artificial intelligence and chemistry. This exciting momentum has the potential to shift the rate-limiting step in molecular innovation from synthesis to imagination.
Wednesday
Keynote Address: Toward Sustainable Chemistry -- Reinventing Catalysis
07:00am - 09:00am USA / Canada - Pacific - April 7, 2021
Track: ACS Technical Divisions
Division/Committee: ACS Technical Divisions

"The field of catalysis wields an outsized economic impact. With renewed contemporary attention to environmental impact, energetic cost and catalyst availability, there is great interest in the development of more sustainable approaches to catalysis. This session will highlight NSF Chemistry’s vision and approach in supporting efforts to ‘re-invent catalysis’ including electrocatalysis and hybrid bio/chemocatalytic chemistry. Featured NSF-CHE-supported investigators will also present their research in the field, ranging from efforts to transition from precious metal catalysis to earth-abundant metal catalysis, to transform carbon dioxide efficiently, and to harness UV and visible light for value-added synthesis. This session will also feature an interactive discussion on future directions and opportunities in the field. 7:00 -- 7:15: Dave Berkowitz, welcome and NSF updates 7:15 – 7:40: Paul Chirik, “Catalysis with Earth-Abundant Metals: A Driver for Sustainable Chemistry” 7:40 – 8:05: Jenny Yang, "Catalysis for Renewable Fuels" 8:05 – 8:30: Tehshik Yoon, “Stereocontrol in Photochemical Synthesis” 8:30 – 9:00: Questions/discussion"