Ammonia synthesis process Ammonia is a widely used material, such as fertilizers, plastic materials, medicines, and daily necessities. Chemical reactions constantly take place all around you, though many are less dramatic than fireworks exploding. The fireworks’ display of color and sound was the result of chemical reactions. I would be surprised if that's not the end goal in these simulation advancements. Chemical Reactions in Gas Phase Ammonia Synthesis. Cyber Ed® Multimedia Courseware Chemical Reactions Program Supplement of 48 Scene 1 At a recent celebra tion, you may have seen fireworks. Sorry to burst your bubble on the chemical reaction program thing. NAMD is a popular one for performing the extensive calculations, CHARMM sets parameters for your chemicals, and VMD is used to visualize all the calculations that the other programs did for you. Multiple programs are used to successfully model a reaction.
I knew a guy who waited 3 months for a readable portion of his simulation to be done.Īnyway, with a little patience, you can successfully model about 100 nanoseconds of a chemical reaction! This is leaps and bounds better than 10 years ago, where you were lucky to model 50 nanoseconds if you had a lot of time to kill. This is in a relatively small "water box" as well, basically a cube of simulated water you place the drugs and polymer in to watch them interact. My production time is pretty quick (about 1 simulation per 1.5 weeks). My project examines the interaction of drug molecules and polymers that would be used to encase them. These are not simulations you would do on a whim. This results in molecules in your simulation that attract and repel each other based on their particular properties, usually functional groups. Like I said, no electron transfer is measured, though very powerful computers are capable of performing enough calculations to simulate electrostatic, van der waals, and steric forces in general. My undergraduate research project is in molecular dynamics, which is the computational modeling of chemical reactions. Yes, but I don't think the programs that are currently available are what you are thinking of when you think "chemical reaction simulation".Īs far as I know, there are currently no programs that are able to accurately simulate electron transfer whether it be simple or complex. Post memes/jokes in /r/chemistrymemes and /r/chemistryjokes. Any such posts will be deleted.Īsk education and jobs questions in the current weekly topic. Enter the titrand and titrant concentrations, the initial volume of the titrand, and the total amount (volume) of titrant added. Quick steps: Click Reaction Selector to choose a pre-defined titration reaction, or choose your own titrand and titrant.
If you're looking for a more concentrated, advanced discussion of chemistry topics among professionals and grad students, check out /r/Chempros.īefore asking "What chemical is this?" see this chart. ChemReaX - a chemical reaction modeling and simulation app from ScienceBySimulation - Acid-Base Titrations. Click here for the OSHA chemical data site and here for a multicompany MSDS aggregate search. If you spill/injure yourself contact medical professionals and read the MSDS, do not post to this reddit. Yes links to blogs, images, videos, comics, and infographics are okay especially if they are on your personal website. No physorg, sciencedaily, or other press release aggregator spam!
CHEMICAL REACTION SIMULATOR ONLINE LICENSE
If a caption or explanation is included this helps, but please use your discretion.īefore asking about chemical drawing/illustration programs, look at your school's IT/software website and see if they provide an institutional license of ChemDraw (hint: if they have a chemistry department, they will) Likewise, simple pictures of uninteresting and garden variety chemistry-related things are not appreciated. No memes, rage comics, image macros, reaction gifs, or other "zero-content" material. However, academic discussions on pharmaceutical chemistry and the science of explosives are permitted. Wolfram Knowledgebase Curated computable knowledge powering Wolfram|Alpha.Rules: Violating a rule will result in a ban.Īsk homework, exam, lab, and other undergraduate-level questions at ChemicalForums otherwise it will be deleted.ĭiscussions on illicit drug synthesis, bomb making, and other illegal activities are not allowed and will lead to a ban. Wolfram Universal Deployment System Instant deployment across cloud, desktop, mobile, and more. Wolfram Data Framework Semantic framework for real-world data.
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