You already know this. But with the time pressure of daily life, it helps to be
reminded every once in a while.
When searching Google®
Scholar (https://scholar.google.com/),
you can use quotes to narrow your search.
For example, here are search statements designed to deliver results on the use of artificial intelligence in catalysis
research …
///////
Google® Scholar search statements:
artificial
intelligence catalysis
27,700 results
Reduce the number of results to slog through by using quotation marks …
"artificial
intelligence" catalysis
19,600 results
Interested in the most recent results? Click the Since
2018 link in the left hand column.
"artificial
intelligence" catalysis since 2018 …
1,900 results
This may seem tedious, but remember how much time you’ll save browsing through
your research reaults.
///////
Tuesday, August 28, 2018
Wednesday, August 22, 2018
Don’t Dis Dissertations: Energetics of Catalytic Intermediates on Nickel(111) by Calorimetry
Dissertations offer value beyond their actual content, which itself can be
quite useful. For one thing, they can alert you to emerging talent that can
help you achieve your objectives.
Here is an example that I found as the result of an email alert …
///////
Energetics of Catalytic Intermediates on Nickel(111) by Calorimetry: Empirical Trends and Benchmarks for Quantum Theory
Spencer J. Carey
Dissertation (Ph.D.)--University of Washington, 2018
Our society depends on the use of catalysts for the manufacture of 90% of chemical industry products, for the mass production of fertilizers that grow our food supply, for the synthesis of the fuels that drive our transportation systems, and for the purification of pollutants, such as those produced by car engines. With this utility comes a huge investment of effort to understand the fundamental science behind catalysts and to improve their efficiency, durability, and selectivity. It is also important to be able to design new catalysts for changing feedstocks (e.g., replacement of coal and petroleum with methane, biomass and other renewables). In the last fifty years, new methods to study catalytic processes have been developed, which in turn resulted in an explosion of research studies that address the fundamental questions in the catalysis field. Quantum mechanical calculations using Density Functional Theory (DFT) are one such technique that has become invaluable in studying catalysts. This method allows for the efficient and inexpensive prediction of catalyst mechanisms and kinetics, structure-function relationships, and even in screening for new, more effective catalysts. However, the accuracy of these predictions depends upon reliable energetic information of adsorbed catalytic reaction intermediates, such as their heats of formation and bond enthalpies to the surface. The energies of adsorbed intermediates and transition states on surfaces are the key factors that determine the effectiveness of any given catalyst. The results of this dissertation show that the energy accuracy of these DFT methods is far less than desirable, and it provides many experimental benchmark energies that will be useful for the development of more accurate DFT functionals. This dissertation is part of a decades-long effort by our research group to compile a large database that contains the heats of formation of many adsorbates on different model catalyst surfaces. This database aims to provide valuable benchmarks that theorists can use to improve DFT functionals. To expand this database, our research group uses Single-Crystal Adsorption Calorimetry (SCAC), the only method able to directly measure the binding energies of adsorbates to model surfaces. My research is focused on expanding the adsorbate bond energy database in the areas that it is lacking. Specifically, previous to this dissertation, this database only included adsorbed molecular fragments on one metal surface, Pt(111) and only included aromatic molecules on one non-noble metal surface, again Pt(111). We have extended both of these classes of adsorbates to their energies on the Ni(111) surface, with comparisons between the energies on Pt(111) versus Ni(111) which help explain some of the differences in catalytic properties of Pt versus Ni. In this thesis, SCAC is used to study the molecular adsorption of phenol and benzene on both Pt(111) and Ni(111). Both benzene and phenol are aromatic, and their energetics are heavily influenced by van der Waal forces. SCAC is also used to study the dissociative adsorption of methyl iodide on Ni(111) to produce adsorbed methyl and iodine adatoms and the dissociative adsorption of methanol on O-precovered Ni(111) to produce adsorbed methoxy and hydroxyl. Adsorbed methyl and methoxy are important molecular fragments that are catalytic intermediates in several industrial processes. Finally, a new equation is derived that relates the sigma bond enthalpies of several molecular fragments to both Ni(111) and Pt(111). This trend allows predictions of the sigma bond enthalpies of other small molecular fragments to transition metal surfaces.
Full text source: https://digital.lib.washington.edu/researchworks/handle/1773/42241
source: https://digital.lib.washington.edu/researchworks/handle/1773/42241
///////
Here is an example that I found as the result of an email alert …
///////
Energetics of Catalytic Intermediates on Nickel(111) by Calorimetry: Empirical Trends and Benchmarks for Quantum Theory
Spencer J. Carey
Dissertation (Ph.D.)--University of Washington, 2018
Our society depends on the use of catalysts for the manufacture of 90% of chemical industry products, for the mass production of fertilizers that grow our food supply, for the synthesis of the fuels that drive our transportation systems, and for the purification of pollutants, such as those produced by car engines. With this utility comes a huge investment of effort to understand the fundamental science behind catalysts and to improve their efficiency, durability, and selectivity. It is also important to be able to design new catalysts for changing feedstocks (e.g., replacement of coal and petroleum with methane, biomass and other renewables). In the last fifty years, new methods to study catalytic processes have been developed, which in turn resulted in an explosion of research studies that address the fundamental questions in the catalysis field. Quantum mechanical calculations using Density Functional Theory (DFT) are one such technique that has become invaluable in studying catalysts. This method allows for the efficient and inexpensive prediction of catalyst mechanisms and kinetics, structure-function relationships, and even in screening for new, more effective catalysts. However, the accuracy of these predictions depends upon reliable energetic information of adsorbed catalytic reaction intermediates, such as their heats of formation and bond enthalpies to the surface. The energies of adsorbed intermediates and transition states on surfaces are the key factors that determine the effectiveness of any given catalyst. The results of this dissertation show that the energy accuracy of these DFT methods is far less than desirable, and it provides many experimental benchmark energies that will be useful for the development of more accurate DFT functionals. This dissertation is part of a decades-long effort by our research group to compile a large database that contains the heats of formation of many adsorbates on different model catalyst surfaces. This database aims to provide valuable benchmarks that theorists can use to improve DFT functionals. To expand this database, our research group uses Single-Crystal Adsorption Calorimetry (SCAC), the only method able to directly measure the binding energies of adsorbates to model surfaces. My research is focused on expanding the adsorbate bond energy database in the areas that it is lacking. Specifically, previous to this dissertation, this database only included adsorbed molecular fragments on one metal surface, Pt(111) and only included aromatic molecules on one non-noble metal surface, again Pt(111). We have extended both of these classes of adsorbates to their energies on the Ni(111) surface, with comparisons between the energies on Pt(111) versus Ni(111) which help explain some of the differences in catalytic properties of Pt versus Ni. In this thesis, SCAC is used to study the molecular adsorption of phenol and benzene on both Pt(111) and Ni(111). Both benzene and phenol are aromatic, and their energetics are heavily influenced by van der Waal forces. SCAC is also used to study the dissociative adsorption of methyl iodide on Ni(111) to produce adsorbed methyl and iodine adatoms and the dissociative adsorption of methanol on O-precovered Ni(111) to produce adsorbed methoxy and hydroxyl. Adsorbed methyl and methoxy are important molecular fragments that are catalytic intermediates in several industrial processes. Finally, a new equation is derived that relates the sigma bond enthalpies of several molecular fragments to both Ni(111) and Pt(111). This trend allows predictions of the sigma bond enthalpies of other small molecular fragments to transition metal surfaces.
Full text source: https://digital.lib.washington.edu/researchworks/handle/1773/42241
source: https://digital.lib.washington.edu/researchworks/handle/1773/42241
///////
Saturday, August 18, 2018
The Box: Thinking Outside It at EmTech
If you are into catalysis … and who isn’t in
your line of work … consider attending MIT’s EmTech (https://events.technologyreview.com/emtech/18/).
Because it focuses on, among other things, AI-Artificial Intelligence. And AI
can be hugely useful in catalysis research. So it might be helpful to talk to
some of the experts in the field.
Here are details, as they appeared in my inbox …
///////
EmTech 2018 will examine this year’s most significant emerging technologies, including quantum computing, sustainable energy, blockchain, and AI. Plus, meet the 2018 class of Innovators Under 35, whose groundbreaking work promises to shape their fields in the coming decades.
Discover technologies that will drive the new global economy
Register today for EmTech—MIT Technology Review’s gathering of world-renowned innovators, entrepreneurs, and tech enthusiasts—for a first-hand look at emerging tech and its impact on you and your business.
EmTech 2018 will examine this year’s most significant emerging technologies, including quantum computing, sustainable energy, blockchain, and AI. Plus, meet the 2018 class of Innovators Under 35, whose groundbreaking work promises to shape their fields in the coming decades.
If you register for an Innovation Circle or Premium pass, you’re also invited to one of our interactive learning sessions: half-day deep dives into the lab-to-market life cycle, quantum computing, and bio-inspired robot design.
Make the most of this opportunity to connect directly with tech pioneers and thought leaders. When it comes to technology, the future is at EmTech. Join the conversation.
REGISTER TODAY
Tech Experts on Stage at
EmTech
Sam Eathington
Chief Science Officer, The Climate Corporation
Solving the Global Food Crisis: Is Machine Learning the Solution?
Fei Fang
Assistant Professor, Carnegie Mellon University
From Theory to Practice: AI for Societal Challenges
Greg Hyslop
Chief Technology Officer, The Boeing Company
Launching a New Era in Aerospace
Ronald L. Rivest
Institute Professor, MIT
Understanding the Global Rise of Cyber Insecurity
Clara Vu
Cofounder and VP of Engineering, Veo Robotics
The Future of Human-Machine Interaction: Bringing Perception and Intelligence to Industrial Robots
RESERVE YOUR SEAT
The mission of MIT Technology Review is to bring about better-informed and more conscious decisions about technology through authoritative, influential, and trustworthy journalism.
MIT Technology Review
One Main Street
Cambridge, MA 02142 Follow us
source: https://events.technologyreview.com/emtech/18/
///////
Here are details, as they appeared in my inbox …
///////
EmTech 2018 will examine this year’s most significant emerging technologies, including quantum computing, sustainable energy, blockchain, and AI. Plus, meet the 2018 class of Innovators Under 35, whose groundbreaking work promises to shape their fields in the coming decades.
Discover technologies that will drive the new global economy
Register today for EmTech—MIT Technology Review’s gathering of world-renowned innovators, entrepreneurs, and tech enthusiasts—for a first-hand look at emerging tech and its impact on you and your business.
EmTech 2018 will examine this year’s most significant emerging technologies, including quantum computing, sustainable energy, blockchain, and AI. Plus, meet the 2018 class of Innovators Under 35, whose groundbreaking work promises to shape their fields in the coming decades.
If you register for an Innovation Circle or Premium pass, you’re also invited to one of our interactive learning sessions: half-day deep dives into the lab-to-market life cycle, quantum computing, and bio-inspired robot design.
Make the most of this opportunity to connect directly with tech pioneers and thought leaders. When it comes to technology, the future is at EmTech. Join the conversation.
REGISTER TODAY
Sam Eathington
Chief Science Officer, The Climate Corporation
Solving the Global Food Crisis: Is Machine Learning the Solution?
Fei Fang
Assistant Professor, Carnegie Mellon University
From Theory to Practice: AI for Societal Challenges
Greg Hyslop
Chief Technology Officer, The Boeing Company
Launching a New Era in Aerospace
Ronald L. Rivest
Institute Professor, MIT
Understanding the Global Rise of Cyber Insecurity
Clara Vu
Cofounder and VP of Engineering, Veo Robotics
The Future of Human-Machine Interaction: Bringing Perception and Intelligence to Industrial Robots
RESERVE YOUR SEAT
Space is limited. This event will sell out.
Register now.
The mission of MIT Technology Review is to bring about better-informed and more conscious decisions about technology through authoritative, influential, and trustworthy journalism.
MIT Technology Review
One Main Street
Cambridge, MA 02142 Follow us
source: https://events.technologyreview.com/emtech/18/
///////
Tuesday, August 14, 2018
More News Is Good News: CRU Sulphur 2018 Full Agenda Announced
Still unsure whether to attend Sulphur 2018? CRU has just announced the full
agenda. Take a look, then decide.
///////
Sulphur 2018 + Sulphuric Acid (https://events.crugroup.com/sulphur/home)
5-8 November 2018, Gothenburg, Sweden
Full agenda for 2018 announced
CRU’s Sulphur + Sulphuric Acid conference is the annual networking and development opportunity for professionals involved in the production, trade and consumption of sulphur and sulphuric acid.
We are pleased to announce the full agenda and brochure are now available to view online or download.
Highlights for 2018 include:
•Three practical workshops discussing: project financing; process infrastructure options; and sulphuric acid profitability
•Market leading analysis of supply, demand and pricing of sulphur and sulphuric acid
•Dynamic panel discussions featuring industry experts debating future opportunities and challenges including digitalisation, IMO 2020, and more
•Interactive sulphur operations troubleshooting clinic with live Q&A and polling
Plus, 36 technical papers covering sulphur and sulphuric acid operations, new technology and equipment, including:
•New technology and equipment for increased efficiency
•Improving plant performance through effective maintenance planning and analysis
•Effective SRU operations: managing your plant for optimum reliability and performance
•Tail gas treating and emissions management
•New plant and project execution case studies
•Operational maintenance and improvement case studies
•Operations, emissions management and sustainable sulphur recovery
•Plant and process design options
•Temperature management
•Acid gas and oxygen enrichment options
•New approaches to sulphur production, pipelines and melting
So whatever information you need to further develop your business for the year-ahead, you can be sure this four-day conference will deliver the content and networking opportunities to enable business success.
Special operator rate only £550
Do you work as a manager, chemist, engineer or operator in an oil, gas, sulphur, or sulphuric acid facility? You could qualify for a discounted rate of just £550 for CRU Sulphur + Sulphuric Acid Conference 2018
To see if you qualify, email your name, job title, company and business activity to amanda.whicher@crugroup.com
I look forward to meeting you in Gothenburg this November. Please don’t hesitate to contact me if you have any questions.
Kind regards,
Amanda Whicher
Portolio Director - Sulphur
CRU Events
E: amanda.whicher@crugroup.com
Raise your profile in Gothenburg - only two stands remaining
Another great way to increase your profile at the conference is to sponsor or exhibit. Each year more than 70 solution providers from around the world exhibit at CRU Sulphur + Sulphuric Acid conference – to access a global audience of sulphur and acid professionals representing more than 220 companies from 40+ countries. Packages are tailored to ensure high-profile brand exposure and to maximise face-to-face interaction with delegates.
The exhibition for 2018 is nearly sold out – click here to see who is exhibiting in Gothenburg.
For more information on the exhibition and sponsorship opportunities available, please contact: Michelle Fisk, at michelle.fisk@crugroup.com or call + 44 (0)20 7903 2159.
///////
TIP: Consider bookmarking the CRU Web site (https://www.crugroup.com/events) to keep up with other sulfur related conferences, such as the recent 2nd Middle East Sulphur Conference, 18-20 March 2018, Abu Dhabi, UAE.
///////
Jean Steinhardt served as Librarian, Aramco Services, Engineering Division, for 13 years. He now heads Jean Steinhardt Consulting LLC, producing the same high quality research that he performed for Aramco.
Follow Jean’s blog at: http://desulf.blogspot.com/ for continuing tips on effective online research
Email Jean at research@jeansteinhardtconsulting.com with questions on research, training, or anything else
Visit Jean’s Web site at http://www.jeansteinhardtconsulting.com/ to see examples of the services we can provide
///////
Sulphur 2018 + Sulphuric Acid (https://events.crugroup.com/sulphur/home)
5-8 November 2018, Gothenburg, Sweden
Full agenda for 2018 announced
CRU’s Sulphur + Sulphuric Acid conference is the annual networking and development opportunity for professionals involved in the production, trade and consumption of sulphur and sulphuric acid.
We are pleased to announce the full agenda and brochure are now available to view online or download.
Highlights for 2018 include:
•Three practical workshops discussing: project financing; process infrastructure options; and sulphuric acid profitability
•Market leading analysis of supply, demand and pricing of sulphur and sulphuric acid
•Dynamic panel discussions featuring industry experts debating future opportunities and challenges including digitalisation, IMO 2020, and more
•Interactive sulphur operations troubleshooting clinic with live Q&A and polling
Plus, 36 technical papers covering sulphur and sulphuric acid operations, new technology and equipment, including:
•New technology and equipment for increased efficiency
•Improving plant performance through effective maintenance planning and analysis
•Effective SRU operations: managing your plant for optimum reliability and performance
•Tail gas treating and emissions management
•New plant and project execution case studies
•Operational maintenance and improvement case studies
•Operations, emissions management and sustainable sulphur recovery
•Plant and process design options
•Temperature management
•Acid gas and oxygen enrichment options
•New approaches to sulphur production, pipelines and melting
So whatever information you need to further develop your business for the year-ahead, you can be sure this four-day conference will deliver the content and networking opportunities to enable business success.
Special operator rate only £550
Do you work as a manager, chemist, engineer or operator in an oil, gas, sulphur, or sulphuric acid facility? You could qualify for a discounted rate of just £550 for CRU Sulphur + Sulphuric Acid Conference 2018
To see if you qualify, email your name, job title, company and business activity to amanda.whicher@crugroup.com
I look forward to meeting you in Gothenburg this November. Please don’t hesitate to contact me if you have any questions.
Kind regards,
Amanda Whicher
Portolio Director - Sulphur
CRU Events
E: amanda.whicher@crugroup.com
Raise your profile in Gothenburg - only two stands remaining
Another great way to increase your profile at the conference is to sponsor or exhibit. Each year more than 70 solution providers from around the world exhibit at CRU Sulphur + Sulphuric Acid conference – to access a global audience of sulphur and acid professionals representing more than 220 companies from 40+ countries. Packages are tailored to ensure high-profile brand exposure and to maximise face-to-face interaction with delegates.
The exhibition for 2018 is nearly sold out – click here to see who is exhibiting in Gothenburg.
For more information on the exhibition and sponsorship opportunities available, please contact: Michelle Fisk, at michelle.fisk@crugroup.com or call + 44 (0)20 7903 2159.
///////
TIP: Consider bookmarking the CRU Web site (https://www.crugroup.com/events) to keep up with other sulfur related conferences, such as the recent 2nd Middle East Sulphur Conference, 18-20 March 2018, Abu Dhabi, UAE.
///////
Jean Steinhardt served as Librarian, Aramco Services, Engineering Division, for 13 years. He now heads Jean Steinhardt Consulting LLC, producing the same high quality research that he performed for Aramco.
Follow Jean’s blog at: http://desulf.blogspot.com/ for continuing tips on effective online research
Email Jean at research@jeansteinhardtconsulting.com with questions on research, training, or anything else
Visit Jean’s Web site at http://www.jeansteinhardtconsulting.com/ to see examples of the services we can provide
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