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Question about bio/chemical agents

Quill Works

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I'm writing a story about a group of scubadivers who are trapped in an underwater cavern, revealed to be an underwater mining project in which the government is mining for a rare/new bio/chemical agent that they have the intent to use in some form of bio/chemical warfare. The mining and release of the agent into the water is having a negative effect on the marine life and causing mutations, in addition to them growing resistant to the agent throughout generations in a similar way that pests become resistant to insecticides. What type of substance should I use as or as a source of inspiration for this agent? I'm willing to take a little creative liberty but I'd like to ground it in some realistic principle. Im also willing to change a few minute story details to make things fit since I'm still in the planning phase. I'm also wondering, knowing how fickle chemistry is, how the agent would be different underwater than it would be when used above water, and how scientists could work around this issue. I'm aware the scubadivers would most likely die (I'd explain how this works into the plot but that's unrelated to the question and a bit complicated) but for them, and anyone else affected besides the animals, I'd imagine with that particular agent they'd be relatively fine for a day or two and suddenly die from the agent after a sudden onset of symptoms.
Also, how far would this chemical spread and/or how could it be contained within a certain area of water? The idea is that it has not yet affected too much except within a few miles of where the mining is taking place but if said mining were to continue it would reach the mainland. Keep in mind that the mining has been taking place for a few years.
And if I'm forced to call it a newly discovered agent (it's fiction, after all), would potential readers be forgiving? Like I said, I'm willing to get creative, but I'd like to have a scientific backbone to the agent, whether it be real or fake, since I'm sure there are general rules that would apply to any agent.
Thanks for the help!