Surfactants Monthly – September 2023
Surfactants Monthly Review
As regular readers know, we like to artfully weave into these blog postings, subtle promos for various business interests of the author. Most of the time, you hardly notice them. But I actually want you to notice this one. So here we are:
Shameless plug for the upcoming Surfactants Business Essentials Course (Virtual Version) produced and taught by me. In partnership, of course with the great I.C.I.S. The next 3-part course mini-series starts up Thanksgiving week (in the US); November 20 - 22 in the rest of the world. We hit Singapore at 6PM (local time), The UAE at 2PM, London at 10AM and for those really keen to pack in a full pre-Thanksgiving professional enrichment, New York at 5AM. If someone could join me in this pre-dawn classroom in the US Eastern timezone, I will buy you a coffee!
We go back to first principles - What is a hydrophobe? A hydrophile?.. and where do they come from? And we dig deep into the complex economic drivers in key supply chains like fatty alcohols and ethylene oxide. We talk about your favorite companies - customers, suppliers and maybe even your own employer. We've been running this course for over 10 years and we update it every single time. We have literally had successive generations of managers from companies attend. And, with every passing year, it seems like an increasing number of emails that I get, begin with “I took your course last year and….” That’s very cool, from my point of view.
The teacher: Me. Nothing is subcontracted to graduate students! The course is available live and exclusively on our proprietary online learning platform - fueled by the I.C.I.S. data powerhouse. Register here 🎓 ... Surfactants Business Essentials Course.
So – what else: As you probably gleaned from last month’s post, I am obsessed with AI – specifically in the field of AI/ML/SDL (Artificial Intelligence / Machine Learning / Self Driving Labs). So I think I’m going to write about it more in these blogs. Not about cool prompts and not about blog content creation; although for sure, I am fully expecting these posts to be largely written by AI with the next 18 months. The boring bits anyway. Witty aphorisms and charming references to 70’s Northern (English) arcana will be continue to be all mine. But that’s nothing unexpected. What I’d like to do here is to highlight one or two key breakthroughs in the AI/ML/SDL field and link them to the business of surfactants. So look out for that. They’ll be at the bottom, just ahead of the music section.
Another thing I’ve been thinking about a lot since last month is the How. In these blogs, we talk a lot about the what and the why (So and so built a new plant because they needed capacity in North America) but now much about How – that is How to be a better more effective manager. How to create a business where none existed before. How to fulfill your full potential. I see a gap. I think a lot about how to get the most out of the decreasing number of neurons in my brain but rarely if ever write about it. Is anyone interested? I’ve no idea but I’m going to take a tentative step into this area and perhaps by reader feedback you can let me know. This will be in its own clearly labelled section above the AI section.
And finally: Of course, our razor sharp observations on popular culture will continue to suffuse the blog for your entertainment and distraction. And so I have to address this Ancient Rome business. There’s some meme going round that talks about how many times a day a man thinks about ancient Rome. I had no idea this was also an American thing. But having grown up in a town (in England) that had a Roman fort and that was not that far from (Roman Emperor) Hadrian’s wall, thoughts of Rome were and are, never that far from the surface. The best roads up in that part of the world were laid on the routes taken by Roman roads and they were straight – joining A and B by a line with the shortest distance. The Romans did not screw around! Another thing; it was pretty clear how things went pretty quickly to hell in a handbasket when the Romans left. Buildings decayed. Roads fell into disrepair. Plumbing ceased to function. In short, Entropy did its inevitable thing without the Roman centurion to impose order. And that brings me to the another pop-culture question I’d like to introduce: How many times a day do you think about the second law of thermodynamics? For me – it’s a few times per day – sometimes on a weekend, occupying the whole day. Imagine my delight then, when I heard about the new book from the great Stephen Wolfram on the Second Law. I bought if of course. Apparently Wolfram has been thinking about the second law since he was 12 and now, 50 years later, he believes he understands it and so wants to share that understanding with the rest of the world. And I thought I was an Entropy nerd! I’ve started into it and it’s excellent. To put something together so rigorous and original, takes the discipline and perseverance of a Roman soldier. Well done Stephen.
Tight Correlation
In the US, 1214 pricing is similarly under downward pressure, due to weak demand and historically high inventories. Pricing is running at around $1,600 / MT , slightly more than half of pricing this time last year. In Europe, pricing also is moving down at around $1,400 / MT at end of the month. As we reported previously, Wilmar declared force majeure on fatty alcohols at Rozenburg, Rotterdam, the Netherlands, in July. The plant is rated at 120,000 MT/yr capacity. The force majeure remains in place and a restart is not expected until November at the earliest.
In the US market – the influence of petrochemical alcohols is particularly strong due to large capacity at Shell and Sasol. Therefore we keep a close eye on the relative price of PKO (the feedstock for oleo alcohols) and ethylene (the feedstock for petro alcohols). The following graph shows that despite a recent uptick in ethylene and the continuing downtrend in PKO, the so-called PKO premium over ethylene remains in positive territory, as it has for all of the last 9 years and much of the last 20 years.
Tight Correlation
In the US, 1214 pricing is similarly under downward pressure, due to weak demand and historically high inventories. Pricing is running at around $1,600 / MT , slightly more than half of pricing this time last year. In Europe, pricing also is moving down at around $1,400 / MT at end of the month. As we reported previously, Wilmar declared force majeure on fatty alcohols at Rozenburg, Rotterdam, the Netherlands, in July. The plant is rated at 120,000 MT/yr capacity. The force majeure remains in place and a restart is not expected until November at the earliest.
In the US market – the influence of petrochemical alcohols is particularly strong due to large capacity at Shell and Sasol. Therefore we keep a close eye on the relative price of PKO (the feedstock for oleo alcohols) and ethylene (the feedstock for petro alcohols). The following graph shows that despite a recent uptick in ethylene and the continuing downtrend in PKO, the so-called PKO premium over ethylene remains in positive territory, as it has for all of the last 9 years and much of the last 20 years.
Finally – Why does this Indian lake foam so much? Is the delightful headline to an article in the Asian Scientist magazine. Apparently, Rains dissolve surfactants bound to lake sediments causing foaming in Bellandur lake in Bengaluru, Southern India. Hmm .. The lake has problems beyond surfactants. Bellandur Lake receives untreated sewage far beyond its capacity to break it down and has depleted oxygen that keeps surfactants in the system. In a vicious cycle, this problem has worsened over the years. Foaming has also been witnessed in other lakes in the city such as Varthur Lake. “We are planning sustainable water treatment strategies. The first step is to increase the oxygen levels in the lake. You can either add algae that can increase it or add treated water with higher dissolved oxygen” said Reshmi Das, the lead author of the lake study and a graduate researcher at IISc.
End of News: Start of the AI/ML/SDL Section
For the material here, I’m going to pull largely on publications connected to the University of Toronto’s Matter Lab, with which I have had the recent pleasure of collaborating.
This headline caught my attention: VirtualFlow 2.0 - The Next Generation Drug Discovery Platform Enabling Adaptive Screens of 69 Billion Molecules[1]. Here’s a portion of the abstract: Early-stage drug discovery has been limited by initial hit identification and lead optimization and their associated costs (1). Ultra-large virtual screens (ULVSs), which involve the virtual evaluation of massive numbers of molecules to engage a macromolec-ular target, have the ability to significantly alleviate these problems, as was recently demonstrated in multiple studies (2–7). Despite their potential, ULVSs have so far only explored a tiny fraction of the chemical space and of available docking programs. Here, we present VirtualFlow 2.0, the next generation of the first open-source drug discovery platform dedicated to ultra-large virtual screen ings. VirtualFlow 2.0 provides the REAL Space from Enamine containing 69 billion drug-like molecules in a "ready-to-dock" format, the largest library of its kind available to date. … We demonstrate a perfectly linear scaling behavior up to 5.6 million CPUs in the AWS Cloud, a new global record for parallel cloud computing. Due to its open-source nature and versatility, we expect that VirtualFlow 2.0 will play a key role in the future of early-stage drug discovery.
A key theme emerging from the recent AI workshop we held in Toronto related to end-to-end automation and co-ordination in a self-driving-lab environment. This paper introduces a formalized architecture for achieving this: ChemOS 2.0 an orchestration architecture for chemical self-driving labs.[2] The idea is in part explained in the abstract thus: “…. we introduce ChemOS 2.0, an orchestration architecture that efficiently coordinates communication, data exchange, and instruction management among modular laboratory components. By treating the laboratory as an "operating system" ChemOS 2.0 combines ab-initio calculations, experimental orchestration and statistical algorithms to guide closed-loop operations…”
A more practical paper is Digital pipette: Open hardware for liquid transfer in self-driving laboratories[3] . Here the authors note: “Although many pipettes are available for human scientists, robots cannot manipulate these pipettes due to the limitations of current robot gripper morphology. We propose an intuitive yet elegant design for a 3D-printed digital pipette designed for robots to carry out chemical experiments. Performance-evaluation experiments were carried out liquid transfer tasks. Our results show that robots with digital pipette could transfer liquids within 0.5% error. This error is comparable to the baseline set by commercially available human-handled pipettes.”
For those worried about the role of Humans in the brave new world of AI/ML/SDL, there is a paper published as a preprint this August- HypBO: Expert-Guided Chemist-in-the-Loop Bayesian Search for New Materials[4], which notes in part “Our proposed method, which we call HypBO, uses expert human hypotheses to generate an improved seed of samples. Unpromising seeds are automatically discounted, while promising seeds are used to augment the surrogate model data, thus achieving better-informed sampling. This process continues in a global versus local search fashion, organized in a bilevel optimization framework. We validate the performance of our method on a range of synthetic functions and demonstrate its practical utility on a real chemical design task where the use of expert hypotheses accelerates the search performance significantly.”
Tell me if these abstracts and links are helpful – or too academic. Let me know.
Next Section: The How. This month, I’d really like to get some feedback on what I’m thinking about our surfactant conferences going forward. No matter if you’ve been to scores of our events or are just considering your first one. I’d really like to get some input if you can spare a moment.
Our conference focus has been to tell the attendees what is going on in surfactants and advise them on whatto do about it. This has been very successful. However, we have rarely if ever touch on how to do it. The how involves things like communication, leadership, management, innovation, entrepreneurialism, motivation, networking – the many softer skills that business owners and managers need – whether in surfactants or anywhere else. Pretty much the only place these subjects have been addressed has been in my opening remarks at the beginning of each conference.
What I’m thinking about is to build in sessions or a separate module on the how subjects – with a surfactant flavor. My sense is that the space is fairly open. There are mega-stars of self-improvement like Tony Robbinsand Jocko Willink, but for a manager in surfactants area, who wants to learn what is going on and what to do and how to do it, where do they go? Maybe there’s an opportunity for our events to be the one-stop shop for the what and how of the business of surfactants? I’m open to ideas and thoughts. Everything is on the table, fitness, nutrition, creativity, productivity. Your feedback will guide the future of the events… and this blog.
And finally – the music. I almost feel obliged to write about Taylor Swift because everyone else is. It occurs to me that I can not name or hum a single Swift song. I’m proud of that, although I suspect many blog readers are in the same boat. What does that say about our society, I wonder? Our divided polity, our fractured democracy, our salad-bowl not melting-pot? No idea and don't really care, you’ll be relieved to know. Ritchie Blackmore, though. Different story. He’s appeard in our blog countless times. His chords and solos have accompanied many great episodes in my personal life. I’ll go back to Deep Purple’s cover of Joe South’s Hush on their Shades album in 1968. Here’s a truly horrible video from what looks like the UK’s Top of the Pops from back then. Even then though you can feel the massive talent and fury lurking in Ritchies guitar.
Next up from the Book of Taliesyn, released a few months later, the instrumental, Wring that Neck. Only a band as huge as Deep Purple, could surely contain the talent and egos of Jon Lord and Ritchie. Note the foreshadowings of Highway Star and 16th Century Greensleeves buried in there … hear them?
I’ll skip the eponymous album and go to In Rock – the masterwork – the literal and figurative Mount Rushmore. And of course the gargantuan first song (long version) Speed King. Again the interplay of Lord and Blackmore – incredible..
Now let’s go to Machine Head because, well if you were alive in 1971, you know why. This album defined heavy rock. So the opening track is interesting to me. We’re going to listen to the live version of the aforementioned Highway Star. It suggests to me an unlikely delayed gratification, if you like, on the part of Blackmore, whose persona more usually matched that of petulant teenager than gracious world champion. Consider this. How does the opening track (as we pull it here ) from their first live album go with a keyboard solo first? Blackmore’s frustration is palpable as he finally gets to do this thing at 4:10.
Also on Machine Head, of course, Smoke on the Water. Here’s a cool vinyl version.
We’re not even done with this album yet. What about Space Truckin’?
Here’s two versions: first the original from the album
and now the truly monstrous (in a good way) live version from Made in Japan
OK – I could go on and take in all the later work with Rainbow and various solo efforts, but you can do your own research, I suppose. I just want to leave you with 16th Century Greensleeves by Rainbow. This live version exemplifies the contained rage of the Blackmore chord and solo. Nothing quite like it. And a hat-tip to RJ Dio who more than manages to keep up the intensity. I saw this performed live at Newcastle City Hall, 1979 the night before my Chemistry mock A-Level (google it). Still got an A. The peak of my chemicals career by far.
So, that’s it. I usually don't ask much of you in these blogs but this month, we’ve got 3 things for you to do.
Register for or forward info on the Surfactants Course
Give me some feedback on the AI/ML/SDL stuff above
Tell me what you think about the “How” idea above.
Thanks
Neil
[1] bioRxiv 2023.04.25.537981; doi: https://doi.org/10.1101/2023.04.25.537981
[2] Sim M, Ghazi Vakili M, Strieth-Kalthoff F, Hao H, Hickman R, Miret S, et al. ChemOS 2.0: an orchestration architecture for chemical self-driving laboratories. ChemRxiv. Cambridge: Cambridge Open Engage; 2023; This content is a preprint and has not been peer-reviewed.
[3] Yoshikawa N, Darvish K, Garg A, Aspuru-Guzik A. Digital pipette: Open hardware for liquid transfer in self-driving laboratories. ChemRxiv. Cambridge: Cambridge Open Engage; 2023; This content is a preprint and has not been peer-reviewed.
[4] https://doi.org/10.48550/arXiv.2308.11787